0 B9R0.45 C#CCCCCCCNC 2230a_106832991635_100012276617 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.45 C#CCCCCCCNC 34a_100102657272_100012276617 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.45 C#CCCCCCCNC 7a_106832991635_100012276617 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.45 C#CCCCCCCSC 62a_100012276617_200000210301 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.45 C#CCCCCCCSC 62a_200000210301_100012276617 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.45 C#CCCCCCCS[13CH3] 62a_100012276617_200025704644 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.45 C#CCCCCCCS[13CH3] 62a_200025704644_100012276617 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.45 C#CCCCCCNCC 2230a_100015525214_100012094781 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [0,0,0,0,0,0|2,0,2]=4 15 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.45 C#CCCCCCSCC 62a_100000210202_100012094781 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.45 C#CCCCCCSCC 62a_100012094781_100000210202 [0,0,0,0,0,0|2,0,2]=4 18 B9R0.45 C#CCCCCNCCC 2230a_100000706060_100000210303 [0,0,0,0,0,0|2,0,2]=4 19 B9R0.45 C#CCCCCNCCC 34a_100000706060_100000210303 [0,0,0,0,0,0|2,0,2]=4 20 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.45 C#CCCCCSCCC 62a_100000210303_100010269958 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.45 C#CCCCCSCCC 62a_100010269958_100000210303 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.45 C#CCCCNCCCC 2230a_100000102301_100000731252 [0,0,0,0,0,0|1,0,2]=3 26 B9R0.45 C#CCCCNCCCC 34a_100000718082_100000210210 [0,0,0,0,0,0|1,0,2]=3 27 B9R0.45 C#CCCCNCCCC 7a_106832991798_100011215417 [0,0,0,0,0,0|1,0,2]=3 28 B9R0.45 C#CCCCNCCCF 2230a_100015189416_100000731252 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.45 C#CCCCNCCCF 34a_100000718082_100011934791 [0,0,0,0,0,0|2,0,2]=4 30 B9R0.45 C#CCCCNCCCF 34a_100015189416_100000695029 [0,0,0,0,0,0|2,0,2]=4 31 B9R0.45 C#CCCCNCCCO 34a_100000718082_100000230001 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.45 C#CCCCNCCOC 2230a_100000209980_100000731252 [0,0,0,0,0,0|2,0,2]=4 33 B9R0.45 C#CCCCNCCOC 34a_100000718082_100011201679 [0,0,0,0,0,0|2,0,2]=4 34 B9R0.45 C#CCCCNCCSC 2230a_100020590264_100000731252 [0,0,0,0,0,0|2,0,2]=4 35 B9R0.45 C#CCCCNCCSC 34a_100000718082_100000212216 [0,0,0,0,0,0|2,0,2]=4 36 B9R0.45 C#CCCCOC/C=C/C 34a_100000215630_100102629194 [0,0,0,0,0,0|0,0,4]=4 37 B9R0.45 C#CCCCOC/C=C/C 34a_100016270725_100000695029 [0,0,0,0,0,0|0,0,4]=4 38 B9R0.45 C#CCCCOC/C=C/C 7a_100000215630_100102629194 [0,0,0,0,0,0|0,0,4]=4 39 B9R0.45 C#CCCCOCC#CC 34a_100000215630_100000748600 [0,0,0,0,0,0|0,0,4]=4 40 B9R0.45 C#CCCCOCC#CC 34a_100000761923_100000695029 [0,0,0,0,0,0|0,0,4]=4 41 B9R0.45 C#CCCCOCC#CC 7a_100000215630_100000748600 [0,0,0,0,0,0|0,0,4]=4 42 B9R0.45 C#CCCCOCC=CC 34a_100000215630_100000070051 [0,0,0,0,0,0|0,0,4]=4 43 B9R0.45 C#CCCCOCC=CC 7a_100000215630_100000070051 [0,0,0,0,0,0|0,0,4]=4 44 B9R0.45 C#CCCCOCCC#C 34a_100000215630_100000688953 [0,0,0,0,0,0|0,0,4]=4 45 B9R0.45 C#CCCCOCCC#C 34a_100011215631_100000695029 [0,0,0,0,0,0|0,0,4]=4 46 B9R0.45 C#CCCCOCCC#C 7a_100000215630_100000688953 [0,0,0,0,0,0|0,0,4]=4 47 B9R0.45 C#CCCCOCCC#N 7a_100000215630_100000184422 [0,0,0,0,0,0|1,0,3]=4 48 B9R0.45 C#CCCCOCCC=C 34a_100000215630_100000754431 [0,0,0,0,0,0|0,0,4]=4 49 B9R0.45 C#CCCCOCCC=C 34a_100011205117_100000695029 [0,0,0,0,0,0|0,0,4]=4 50 B9R0.45 C#CCCCOCCC=C 7a_100000215630_100000754431 [0,0,0,0,0,0|0,0,4]=4 51 B9R0.45 C#CCCCOCCCBr 34a_100011217188_100000695029 [0,0,0,0,0,0|1,0,2]=3 52 B9R0.45 C#CCCCOCCCC 34a_100000210227_100000695029 [0,0,0,0,0,0|0,0,2]=2 53 B9R0.45 C#CCCCOCCCC 34a_100000215630_100000210210 [0,0,0,0,0,0|0,0,2]=2 54 B9R0.45 C#CCCCOCCCC 7a_100000210227_100011215417 [0,0,0,0,0,0|0,0,2]=2 55 B9R0.45 C#CCCCOCCCC 7a_100000215630_100000210211 [0,0,0,0,0,0|0,0,2]=2 56 B9R0.45 C#CCCCOCCCCl 34a_100000230001_100000695029 [0,0,0,0,0,0|1,0,2]=3 57 B9R0.45 C#CCCCOCCCF 34a_100000215630_100011934791 [0,0,0,0,0,0|1,0,2]=3 58 B9R0.45 C#CCCCOCCCF 34a_100000759539_100000695029 [0,0,0,0,0,0|1,0,2]=3 59 B9R0.45 C#CCCCOCCCF 7a_100000215630_100011934791 [0,0,0,0,0,0|1,0,2]=3 60 B9R0.45 C#CCCCOCCCN 34a_100000182051_100000695029 [0,0,0,0,0,0|1,0,2]=3 61 B9R0.45 C#CCCCOCCCO 34a_100000215630_100000230001 [0,0,0,0,0,0|1,0,2]=3 62 B9R0.45 C#CCCCOCCCO 7a_100000215630_100011215043 [0,0,0,0,0,0|1,0,2]=3 63 B9R0.45 C#CCCCOCCOC 34a_100000210237_100000695029 [0,0,0,0,0,0|1,0,2]=3 64 B9R0.45 C#CCCCOCCOC 34a_100000215630_100011201679 [0,0,0,0,0,0|1,0,2]=3 65 B9R0.45 C#CCCCOCCOC 7a_100000215630_100000233755 [0,0,0,0,0,0|1,0,2]=3 66 B9R0.45 C#CCCCOCCON 34a_100000700252_100000695029 [0,0,0,0,0,0|2,0,2]=4 67 B9R0.45 C#CCCCOCCSC 34a_100000215630_100000212216 [0,0,0,0,0,0|1,0,2]=3 68 B9R0.45 C#CCCCOCCSC 34a_100000230434_100000695029 [0,0,0,0,0,0|1,0,2]=3 69 B9R0.45 C#CCCCOCCSC 7a_100000215630_100000212216 [0,0,0,0,0,0|1,0,2]=3 70 B9R0.45 C#CCCCOCCSC 7a_100000230434_100011215417 [0,0,0,0,0,0|1,0,2]=3 71 B9R0.45 C#CCCCSCCCC 62a_100000210211_100011215417 [0,0,0,0,0,0|0,1,2]=3 72 B9R0.45 C#CCCCSCCCC 62a_100011215417_100000210210 [0,0,0,0,0,0|0,1,2]=3 73 B9R0.45 C#CCCCSCCCF 62a_100011215417_100011934791 [0,0,0,0,0,0|1,1,2]=4 74 B9R0.45 C#CCCCSCCCF 62a_100011934791_100011215417 [0,0,0,0,0,0|1,1,2]=4 75 B9R0.45 C#CCCCSCCCO 62a_100011215043_100011215417 [0,0,0,0,0,0|1,1,2]=4 76 B9R0.45 C#CCCCSCCCO 62a_100011215417_100011215043 [0,0,0,0,0,0|1,1,2]=4 77 B9R0.45 C#CCCCSCCOC 62a_100000233755_100011215417 [0,0,0,0,0,0|1,1,2]=4 78 B9R0.45 C#CCCCSCCOC 62a_100011215417_100000233755 [0,0,0,0,0,0|1,1,2]=4 79 B9R0.45 C#CCCCSCCSC 62a_100000212216_100011215417 [0,0,0,0,0,0|1,1,2]=4 80 B9R0.45 C#CCCCSCCSC 62a_100011215417_100000751147 [0,0,0,0,0,0|1,1,2]=4 81 B9R0.45 C#CCCCSCOCC 62a_100000739092_100011215417 [0,0,0,0,0,0|1,1,2]=4 82 B9R0.45 C#CCCCSCOCC 62a_100011215417_100000739092 [0,0,0,0,0,0|1,1,2]=4 83 B9R0.45 C#CCCNCCCCC 2230a_100000209983_100000688953 [0,0,0,0,0,0|1,0,2]=3 84 B9R0.45 C#CCCNCCCCC 34a_100000755551_100000718602 [0,0,0,0,0,0|1,0,2]=3 85 B9R0.45 C#CCCNCCCCF 34a_100000755551_100000729493 [0,0,0,0,0,0|2,0,2]=4 86 B9R0.45 C#CCCNCCCCO 2230a_100000750430_100000688953 [0,0,0,0,0,0|2,0,2]=4 87 B9R0.45 C#CCCNCCCCO 34a_100000750430_100000688953 [0,0,0,0,0,0|2,0,2]=4 88 B9R0.45 C#CCCNCCCCO 34a_100000755551_100011216708 [0,0,0,0,0,0|2,0,2]=4 89 B9R0.45 C#CCCNCCCOC 34a_100000755551_100000740836 [0,0,0,0,0,0|2,0,2]=4 90 B9R0.45 C#CCCNCCCOC 34a_100150723488_100000688953 [0,0,0,0,0,0|2,0,2]=4 91 B9R0.45 C#CCCNCCCSC 2230a_100000749238_100000688953 [0,0,0,0,0,0|2,0,2]=4 92 B9R0.45 C#CCCNCCOCC 2230a_102516460346_100000688953 [0,0,0,0,0,0|2,0,2]=4 93 B9R0.45 C#CCCNCCOCC 34a_100000755551_100000210147 [0,0,0,0,0,0|2,0,2]=4 94 B9R0.45 C#CCCNCCOCC 34a_102516460346_100000688953 [0,0,0,0,0,0|2,0,2]=4 95 B9R0.45 C#CCCNCCSCC 2230a_100000106463_100000688953 [0,0,0,0,0,0|2,0,2]=4 96 B9R0.45 C#CCCNCCSCC 34a_100000755551_100000757381 [0,0,0,0,0,0|2,0,2]=4 97 B9R0.45 C#CCCOC/C=C\CC 34a_100011215631_100103147603 [0,0,0,0,0,0|0,0,4]=4 98 B9R0.45 C#CCCOC/C=C\CC 34a_100016268518_100000688953 [0,0,0,0,0,0|0,0,4]=4 99 B9R0.45 C#CCCOCC#CCC 34a_100000032950_100000688953 [0,0,0,0,0,0|0,0,4]=4 100 B9R0.45 C#CCCOCC#CCC 34a_100011215631_100009813939 [0,0,0,0,0,0|0,0,4]=4 101 B9R0.45 C#CCCOCC/C=C/C 34a_100016278192_100000688953 [0,0,0,0,0,0|0,0,4]=4 102 B9R0.45 C#CCCOCCC#CC 34a_100000750427_100000688953 [0,0,0,0,0,0|0,0,4]=4 103 B9R0.45 C#CCCOCCCC=C 34a_100000758997_100000688953 [0,0,0,0,0,0|0,0,4]=4 104 B9R0.45 C#CCCOCCCC=C 34a_100011215631_100000757094 [0,0,0,0,0,0|0,0,4]=4 105 B9R0.45 C#CCCOCCCC=C 7a_100000758997_100000688953 [0,0,0,0,0,0|0,0,4]=4 106 B9R0.45 C#CCCOCCCCBr 34a_100011216708_100000688953 [0,0,0,0,0,0|1,0,2]=3 107 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [0,0,0,0,0,0|0,0,2]=2 108 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [0,0,0,0,0,0|0,0,2]=2 109 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [0,0,0,0,0,0|0,0,2]=2 110 B9R0.45 C#CCCOCCCCCl 34a_100000210776_100000688953 [0,0,0,0,0,0|1,0,2]=3 111 B9R0.45 C#CCCOCCCCCl 7a_100000210776_100000688953 [0,0,0,0,0,0|1,0,2]=3 112 B9R0.45 C#CCCOCCCCF 34a_100011215631_100000729493 [0,0,0,0,0,0|1,0,2]=3 113 B9R0.45 C#CCCOCCCCF 34a_100011995726_100000688953 [0,0,0,0,0,0|1,0,2]=3 114 B9R0.45 C#CCCOCCCCF 7a_100011995726_100000688953 [0,0,0,0,0,0|1,0,2]=3 115 B9R0.45 C#CCCOCCCCI 34a_200012148704_100000688953 [0,0,0,0,0,0|1,0,2]=3 116 B9R0.45 C#CCCOCCCCN 34a_100000750430_100000688953 [0,0,0,0,0,0|1,0,2]=3 117 B9R0.45 C#CCCOCCCCO 34a_100011215631_100011216708 [0,0,0,0,0,0|1,0,2]=3 118 B9R0.45 C#CCCOCCCNC 34a_100000213112_100000688953 [0,0,0,0,0,0|1,0,2]=3 119 B9R0.45 C#CCCOCCCOC 34a_100000740835_100000688953 [0,0,0,0,0,0|1,0,2]=3 120 B9R0.45 C#CCCOCCCOC 34a_100011215631_100000740836 [0,0,0,0,0,0|1,0,2]=3 121 B9R0.45 C#CCCOCCCSC 34a_100000690336_100000688953 [0,0,0,0,0,0|1,0,2]=3 122 B9R0.45 C#CCCOCCCSC 7a_100000690336_100000688953 [0,0,0,0,0,0|1,0,2]=3 123 B9R0.45 C#CCCOCCOCC 34a_100000210136_100000688953 [0,0,0,0,0,0|1,0,2]=3 124 B9R0.45 C#CCCOCCOCC 34a_100011215631_100000210147 [0,0,0,0,0,0|1,0,2]=3 125 B9R0.45 C#CCCOCCOCC 7a_100000210136_100000688953 [0,0,0,0,0,0|1,0,2]=3 126 B9R0.45 C#CCCOCCSCC 34a_100000212035_100000688953 [0,0,0,0,0,0|1,0,2]=3 127 B9R0.45 C#CCCOCCSCC 34a_100011215631_100000757381 [0,0,0,0,0,0|1,0,2]=3 128 B9R0.45 C#CCCOCCSCC 7a_100000212035_100000688953 [0,0,0,0,0,0|1,0,2]=3 129 B9R0.45 C#CCCSCCCCC 62a_100000210326_100000688953 [0,0,0,0,0,0|0,1,2]=3 130 B9R0.45 C#CCCSCCCCC 62a_100000688953_100000210326 [0,0,0,0,0,0|0,1,2]=3 131 B9R0.45 C#CCCSCCCCF 62a_100000688953_100000729493 [0,0,0,0,0,0|1,1,2]=4 132 B9R0.45 C#CCCSCCCCF 62a_100000729493_100000688953 [0,0,0,0,0,0|1,1,2]=4 133 B9R0.45 C#CCCSCCCCO 62a_100000210776_100000688953 [0,0,0,0,0,0|1,1,2]=4 134 B9R0.45 C#CCCSCCCCO 62a_100000688953_100000210776 [0,0,0,0,0,0|1,1,2]=4 135 B9R0.45 C#CCCSCCCOC 62a_100000688953_100000709357 [0,0,0,0,0,0|1,1,2]=4 136 B9R0.45 C#CCCSCCCOC 62a_100000709357_100000688953 [0,0,0,0,0,0|1,1,2]=4 137 B9R0.45 C#CCCSCCOCC 62a_100000210147_100000688953 [0,0,0,0,0,0|1,1,2]=4 138 B9R0.45 C#CCCSCCOCC 62a_100000688953_100011215890 [0,0,0,0,0,0|1,1,2]=4 139 B9R0.45 C#CCCSCCSCC 62a_100000688953_100000757381 [0,0,0,0,0,0|1,1,2]=4 140 B9R0.45 C#CCCSCCSCC 62a_100000757381_100000688953 [0,0,0,0,0,0|1,1,2]=4 141 B9R0.45 C#CCNCCCCCC 2230a_100000210581_100000038162 [0,0,0,0,0,0|2,0,2]=4 142 B9R0.45 C#CCNCCCCCC 34a_100000212058_100000210314 [0,0,0,0,0,0|2,0,2]=4 143 B9R0.45 C#CCNCOCCCC 34a_100000212058_100011995733 [0,0,0,0,0,0|1,0,2]=3 144 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [0,0,0,0,0,0|2,0,2]=4 145 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [0,0,0,0,0,0|2,0,2]=4 146 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [0,0,0,0,0,0|2,0,2]=4 147 B9R0.45 C#CCOCOCCCC 34a_100000210247_100011995733 [0,0,0,0,0,0|1,0,2]=3 148 B9R0.45 C#CCSCCCCCC 62a_100000038162_100000210757 [0,0,0,0,0,0|2,0,2]=4 149 B9R0.45 C#CCSCOCCCC 62a_100000038162_100011995733 [0,0,0,0,0,0|1,0,2]=3 150 B9R0.45 C#CCSCOCCOC 62a_100000038162_100000231047 [0,0,0,0,0,0|2,0,2]=4 151 B9R0.45 C/C=C/CCOC/C=C/C 34a_100016278192_100102629194 [0,0,0,0,0,0|0,0,4]=4 152 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [0,0,0,0,0,0|0,0,2]=2 153 B9R0.45 C/C=C/CCOCCCF 34a_100016278192_100011934791 [0,0,0,0,0,0|1,0,2]=3 154 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [0,0,0,0,0,0|1,0,2]=3 155 B9R0.45 C/C=C/CCOCCOC 34a_100016278192_100011201679 [0,0,0,0,0,0|1,0,2]=3 156 B9R0.45 C/C=C/CCOCCSC 34a_100016278192_100000212216 [0,0,0,0,0,0|1,0,2]=3 157 B9R0.45 C/C=C/CNCCCCO 34a_100000750430_100102629194 [0,0,0,0,0,0|2,0,2]=4 158 B9R0.45 C/C=C/CNCCCOC 34a_100150723488_100102629194 [0,0,0,0,0,0|2,0,2]=4 159 B9R0.45 C/C=C/CNCCOCC 34a_102516460346_100102629194 [0,0,0,0,0,0|2,0,2]=4 160 B9R0.45 C/C=C/COC/C=C\CC 34a_100016268518_100102629194 [0,0,0,0,0,0|0,0,4]=4 161 B9R0.45 C/C=C/COC/C=C\CC 34a_100016270725_100103147603 [0,0,0,0,0,0|0,0,4]=4 162 B9R0.45 C/C=C/COCC#CCC 34a_100000032950_100102629194 [0,0,0,0,0,0|0,0,4]=4 163 B9R0.45 C/C=C/COCC#CCC 34a_100016270725_100009813939 [0,0,0,0,0,0|0,0,4]=4 164 B9R0.45 C/C=C/COCCCCBr 34a_100011216708_100102629194 [0,0,0,0,0,0|1,0,2]=3 165 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [0,0,0,0,0,0|0,0,2]=2 166 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [0,0,0,0,0,0|0,0,2]=2 167 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [0,0,0,0,0,0|0,0,2]=2 168 B9R0.45 C/C=C/COCCCCCl 34a_100000210776_100102629194 [0,0,0,0,0,0|1,0,2]=3 169 B9R0.45 C/C=C/COCCCCCl 7a_100000210776_100102629194 [0,0,0,0,0,0|1,0,2]=3 170 B9R0.45 C/C=C/COCCCCF 34a_100011995726_100102629194 [0,0,0,0,0,0|1,0,2]=3 171 B9R0.45 C/C=C/COCCCCF 34a_100016270725_100000729493 [0,0,0,0,0,0|1,0,2]=3 172 B9R0.45 C/C=C/COCCCCF 7a_100011995726_100102629194 [0,0,0,0,0,0|1,0,2]=3 173 B9R0.45 C/C=C/COCCCCI 34a_200012148704_100102629194 [0,0,0,0,0,0|1,0,2]=3 174 B9R0.45 C/C=C/COCCCCN 34a_100000750430_100102629194 [0,0,0,0,0,0|1,0,2]=3 175 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [0,0,0,0,0,0|1,0,2]=3 176 B9R0.45 C/C=C/COCCCNC 34a_100000213112_100102629194 [0,0,0,0,0,0|1,0,2]=3 177 B9R0.45 C/C=C/COCCCOC 34a_100000740835_100102629194 [0,0,0,0,0,0|1,0,2]=3 178 B9R0.45 C/C=C/COCCCOC 34a_100016270725_100000740836 [0,0,0,0,0,0|1,0,2]=3 179 B9R0.45 C/C=C/COCCCSC 34a_100000690336_100102629194 [0,0,0,0,0,0|1,0,2]=3 180 B9R0.45 C/C=C/COCCCSC 7a_100000690336_100102629194 [0,0,0,0,0,0|1,0,2]=3 181 B9R0.45 C/C=C/COCCOCC 34a_100000210136_100102629194 [0,0,0,0,0,0|1,0,2]=3 182 B9R0.45 C/C=C/COCCOCC 34a_100016270725_100000210147 [0,0,0,0,0,0|1,0,2]=3 183 B9R0.45 C/C=C/COCCOCC 7a_100000210136_100102629194 [0,0,0,0,0,0|1,0,2]=3 184 B9R0.45 C/C=C/COCCSCC 34a_100000212035_100102629194 [0,0,0,0,0,0|1,0,2]=3 185 B9R0.45 C/C=C/COCCSCC 34a_100016270725_100000757381 [0,0,0,0,0,0|1,0,2]=3 186 B9R0.45 C/C=C/COCCSCC 7a_100000212035_100102629194 [0,0,0,0,0,0|1,0,2]=3 187 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [0,0,0,0,0,0|0,1,2]=3 188 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [0,0,0,0,0,0|0,1,2]=3 189 B9R0.45 C/C=C/CSCCCCF 62a_100000729493_100102629194 [0,0,0,0,0,0|1,1,2]=4 190 B9R0.45 C/C=C/CSCCCCF 62a_100102629194_100000729493 [0,0,0,0,0,0|1,1,2]=4 191 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [0,0,0,0,0,0|1,1,2]=4 192 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [0,0,0,0,0,0|1,1,2]=4 193 B9R0.45 C/C=C/CSCCCOC 62a_100000709357_100102629194 [0,0,0,0,0,0|1,1,2]=4 194 B9R0.45 C/C=C/CSCCCOC 62a_100102629194_100000709357 [0,0,0,0,0,0|1,1,2]=4 195 B9R0.45 C/C=C/CSCCOCC 62a_100000210147_100102629194 [0,0,0,0,0,0|1,1,2]=4 196 B9R0.45 C/C=C/CSCCOCC 62a_100102629194_100011215890 [0,0,0,0,0,0|1,1,2]=4 197 B9R0.45 C/C=C/CSCCSCC 62a_100000757381_100102629194 [0,0,0,0,0,0|1,1,2]=4 198 B9R0.45 C/C=C/CSCCSCC 62a_100102629194_100000757381 [0,0,0,0,0,0|1,1,2]=4 199 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [0,0,0,0,0,0|2,0,2]=4 200 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [0,0,0,0,0,0|2,0,2]=4 201 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [0,0,0,0,0,0|2,0,2]=4 202 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [0,0,0,0,0,0|2,0,2]=4 203 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [0,0,0,0,0,0|2,0,2]=4 204 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [0,0,0,0,0,0|2,0,2]=4 205 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [0,0,0,0,0,0|2,0,2]=4 206 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [0,0,0,0,0,0|2,0,2]=4 207 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [0,0,0,0,0,0|2,0,2]=4 208 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [0,0,0,0,0,0|2,0,2]=4 209 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [0,0,0,0,0,0|2,0,2]=4 210 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [0,0,0,0,0,0|2,0,2]=4 211 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [0,0,0,0,0,0|2,0,2]=4 212 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [0,0,0,0,0,0|2,0,2]=4 213 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [0,0,0,0,0,0|2,0,2]=4 214 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [0,0,0,0,0,0|2,0,2]=4 215 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [0,0,0,0,0,0|2,0,2]=4 216 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [0,0,0,0,0,0|2,0,2]=4 217 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [0,0,0,0,0,0|2,0,2]=4 218 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [0,0,0,0,0,0|2,0,2]=4 219 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [0,0,0,0,0,0|2,0,2]=4 220 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [0,0,0,0,0,0|2,0,2]=4 221 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [0,0,0,0,0,0|2,0,2]=4 222 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [0,0,0,0,0,0|2,0,2]=4 223 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [0,0,0,0,0,0|2,0,2]=4 224 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [0,0,0,0,0,0|1,0,2]=3 225 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [0,0,0,0,0,0|1,0,2]=3 226 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [0,0,0,0,0,0|1,0,2]=3 227 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [0,0,0,0,0,0|1,0,2]=3 228 B9R0.45 C=CCCCNCCCF 2230a_100000700776_100011934791 [0,0,0,0,0,0|2,0,2]=4 229 B9R0.45 C=CCCCNCCCF 2230a_100015189416_100011713584 [0,0,0,0,0,0|2,0,2]=4 230 B9R0.45 C=CCCCNCCCF 34a_100000700776_100011934791 [0,0,0,0,0,0|2,0,2]=4 231 B9R0.45 C=CCCCNCCCF 34a_100015189416_100000757094 [0,0,0,0,0,0|2,0,2]=4 232 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [0,0,0,0,0,0|2,0,2]=4 233 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [0,0,0,0,0,0|2,0,2]=4 234 B9R0.45 C=CCCCNCCOC 2230a_100000209980_100011713584 [0,0,0,0,0,0|2,0,2]=4 235 B9R0.45 C=CCCCNCCOC 2230a_100000700776_100011201679 [0,0,0,0,0,0|2,0,2]=4 236 B9R0.45 C=CCCCNCCOC 34a_100000700776_100011201679 [0,0,0,0,0,0|2,0,2]=4 237 B9R0.45 C=CCCCNCCSC 2230a_100000700776_100000751147 [0,0,0,0,0,0|2,0,2]=4 238 B9R0.45 C=CCCCNCCSC 2230a_100020590264_100011713584 [0,0,0,0,0,0|2,0,2]=4 239 B9R0.45 C=CCCCNCCSC 34a_100000700776_100000212216 [0,0,0,0,0,0|2,0,2]=4 240 B9R0.45 C=CCCCOC/C=C/C 34a_100000758997_100102629194 [0,0,0,0,0,0|0,0,4]=4 241 B9R0.45 C=CCCCOC/C=C/C 34a_100016270725_100000757094 [0,0,0,0,0,0|0,0,4]=4 242 B9R0.45 C=CCCCOC/C=C/C 7a_100000758997_100102629194 [0,0,0,0,0,0|0,0,4]=4 243 B9R0.45 C=CCCCOCC#CC 34a_100000758997_100000748600 [0,0,0,0,0,0|0,0,4]=4 244 B9R0.45 C=CCCCOCC#CC 34a_100000761923_100000757094 [0,0,0,0,0,0|0,0,4]=4 245 B9R0.45 C=CCCCOCC#CC 7a_100000758997_100000748600 [0,0,0,0,0,0|0,0,4]=4 246 B9R0.45 C=CCCCOCC=CC 34a_100000758997_100000070051 [0,0,0,0,0,0|0,0,4]=4 247 B9R0.45 C=CCCCOCC=CC 7a_100000758997_100000070051 [0,0,0,0,0,0|0,0,4]=4 248 B9R0.45 C=CCCCOCCC#N 7a_100000758997_100000184422 [0,0,0,0,0,0|1,0,3]=4 249 B9R0.45 C=CCCCOCCC=C 34a_100000758997_100000754431 [0,0,0,0,0,0|0,0,4]=4 250 B9R0.45 C=CCCCOCCC=C 34a_100011205117_100000757094 [0,0,0,0,0,0|0,0,4]=4 251 B9R0.45 C=CCCCOCCC=C 7a_100000758997_100000754431 [0,0,0,0,0,0|0,0,4]=4 252 B9R0.45 C=CCCCOCCCBr 34a_100011217188_100000757094 [0,0,0,0,0,0|1,0,2]=3 253 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [0,0,0,0,0,0|0,0,2]=2 254 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [0,0,0,0,0,0|0,0,2]=2 255 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [0,0,0,0,0,0|0,0,2]=2 256 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [0,0,0,0,0,0|0,0,2]=2 257 B9R0.45 C=CCCCOCCCCl 34a_100000230001_100000757094 [0,0,0,0,0,0|1,0,2]=3 258 B9R0.45 C=CCCCOCCCF 34a_100000758997_100011934791 [0,0,0,0,0,0|1,0,2]=3 259 B9R0.45 C=CCCCOCCCF 34a_100000759539_100000757094 [0,0,0,0,0,0|1,0,2]=3 260 B9R0.45 C=CCCCOCCCF 7a_100000758997_100011934791 [0,0,0,0,0,0|1,0,2]=3 261 B9R0.45 C=CCCCOCCCN 34a_100000182051_100000757094 [0,0,0,0,0,0|1,0,2]=3 262 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [0,0,0,0,0,0|1,0,2]=3 263 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [0,0,0,0,0,0|1,0,2]=3 264 B9R0.45 C=CCCCOCCOC 34a_100000210237_100000757094 [0,0,0,0,0,0|1,0,2]=3 265 B9R0.45 C=CCCCOCCOC 34a_100000758997_100011201679 [0,0,0,0,0,0|1,0,2]=3 266 B9R0.45 C=CCCCOCCOC 7a_100000758997_100000233755 [0,0,0,0,0,0|1,0,2]=3 267 B9R0.45 C=CCCCOCCON 34a_100000700252_100000757094 [0,0,0,0,0,0|2,0,2]=4 268 B9R0.45 C=CCCCOCCSC 34a_100000230434_100000757094 [0,0,0,0,0,0|1,0,2]=3 269 B9R0.45 C=CCCCOCCSC 34a_100000758997_100000212216 [0,0,0,0,0,0|1,0,2]=3 270 B9R0.45 C=CCCCOCCSC 7a_100000230434_100000757094 [0,0,0,0,0,0|1,0,2]=3 271 B9R0.45 C=CCCCOCCSC 7a_100000758997_100000212216 [0,0,0,0,0,0|1,0,2]=3 272 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [0,0,0,0,0,0|0,1,2]=3 273 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [0,0,0,0,0,0|0,1,2]=3 274 B9R0.45 C=CCCCSCCCF 62a_100011713584_100011934791 [0,0,0,0,0,0|1,1,2]=4 275 B9R0.45 C=CCCCSCCCF 62a_100011934791_100000757094 [0,0,0,0,0,0|1,1,2]=4 276 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [0,0,0,0,0,0|1,1,2]=4 277 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [0,0,0,0,0,0|1,1,2]=4 278 B9R0.45 C=CCCCSCCOC 62a_100000233755_100000757094 [0,0,0,0,0,0|1,1,2]=4 279 B9R0.45 C=CCCCSCCOC 62a_100011713584_100000233755 [0,0,0,0,0,0|1,1,2]=4 280 B9R0.45 C=CCCCSCCSC 62a_100000212216_100000757094 [0,0,0,0,0,0|1,1,2]=4 281 B9R0.45 C=CCCCSCCSC 62a_100011713584_100000751147 [0,0,0,0,0,0|1,1,2]=4 282 B9R0.45 C=CCCCSCOCC 62a_100000739092_100000757094 [0,0,0,0,0,0|1,1,2]=4 283 B9R0.45 C=CCCCSCOCC 62a_100011713584_100000739092 [0,0,0,0,0,0|1,1,2]=4 284 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [0,0,0,0,0,0|1,0,2]=3 285 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [0,0,0,0,0,0|1,0,2]=3 286 B9R0.45 C=CCCNCCCCF 2230a_100015191253_100000729493 [0,0,0,0,0,0|2,0,2]=4 287 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [0,0,0,0,0,0|2,0,2]=4 288 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [0,0,0,0,0,0|2,0,2]=4 289 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [0,0,0,0,0,0|2,0,2]=4 290 B9R0.45 C=CCCNCCCOC 2230a_100015191253_100000740836 [0,0,0,0,0,0|2,0,2]=4 291 B9R0.45 C=CCCNCCCOC 34a_100150723488_100000754431 [0,0,0,0,0,0|2,0,2]=4 292 B9R0.45 C=CCCNCCCSC 2230a_100000749238_100000754431 [0,0,0,0,0,0|2,0,2]=4 293 B9R0.45 C=CCCNCCOCC 2230a_100015191253_100011215890 [0,0,0,0,0,0|2,0,2]=4 294 B9R0.45 C=CCCNCCOCC 2230a_102516460346_100000754431 [0,0,0,0,0,0|2,0,2]=4 295 B9R0.45 C=CCCNCCOCC 34a_102516460346_100000754431 [0,0,0,0,0,0|2,0,2]=4 296 B9R0.45 C=CCCNCCSCC 2230a_100000106463_100000754431 [0,0,0,0,0,0|2,0,2]=4 297 B9R0.45 C=CCCNCCSCC 2230a_100015191253_100000757381 [0,0,0,0,0,0|2,0,2]=4 298 B9R0.45 C=CCCOC/C=C\CC 34a_100011205117_100103147603 [0,0,0,0,0,0|0,0,4]=4 299 B9R0.45 C=CCCOC/C=C\CC 34a_100016268518_100000754431 [0,0,0,0,0,0|0,0,4]=4 300 B9R0.45 C=CCCOCC#CCC 34a_100000032950_100000754431 [0,0,0,0,0,0|0,0,4]=4 301 B9R0.45 C=CCCOCC#CCC 34a_100011205117_100009813939 [0,0,0,0,0,0|0,0,4]=4 302 B9R0.45 C=CCCOCC/C=C/C 34a_100016278192_100000754431 [0,0,0,0,0,0|0,0,4]=4 303 B9R0.45 C=CCCOCCC#CC 34a_100000750427_100000754431 [0,0,0,0,0,0|0,0,4]=4 304 B9R0.45 C=CCCOCCCCBr 34a_100011216708_100000754431 [0,0,0,0,0,0|1,0,2]=3 305 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [0,0,0,0,0,0|0,0,2]=2 306 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [0,0,0,0,0,0|0,0,2]=2 307 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [0,0,0,0,0,0|0,0,2]=2 308 B9R0.45 C=CCCOCCCCCl 34a_100000210776_100000754431 [0,0,0,0,0,0|1,0,2]=3 309 B9R0.45 C=CCCOCCCCCl 7a_100000210776_100000754431 [0,0,0,0,0,0|1,0,2]=3 310 B9R0.45 C=CCCOCCCCF 34a_100011205117_100000729493 [0,0,0,0,0,0|1,0,2]=3 311 B9R0.45 C=CCCOCCCCF 34a_100011995726_100000754431 [0,0,0,0,0,0|1,0,2]=3 312 B9R0.45 C=CCCOCCCCF 7a_100011995726_100000754431 [0,0,0,0,0,0|1,0,2]=3 313 B9R0.45 C=CCCOCCCCI 34a_200012148704_100000754431 [0,0,0,0,0,0|1,0,2]=3 314 B9R0.45 C=CCCOCCCCN 34a_100000750430_100000754431 [0,0,0,0,0,0|1,0,2]=3 315 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [0,0,0,0,0,0|1,0,2]=3 316 B9R0.45 C=CCCOCCCNC 34a_100000213112_100000754431 [0,0,0,0,0,0|1,0,2]=3 317 B9R0.45 C=CCCOCCCOC 34a_100000740835_100000754431 [0,0,0,0,0,0|1,0,2]=3 318 B9R0.45 C=CCCOCCCOC 34a_100011205117_100000740836 [0,0,0,0,0,0|1,0,2]=3 319 B9R0.45 C=CCCOCCCSC 34a_100000690336_100000754431 [0,0,0,0,0,0|1,0,2]=3 320 B9R0.45 C=CCCOCCCSC 7a_100000690336_100000754431 [0,0,0,0,0,0|1,0,2]=3 321 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [0,0,0,0,0,0|1,0,2]=3 322 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [0,0,0,0,0,0|1,0,2]=3 323 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [0,0,0,0,0,0|1,0,2]=3 324 B9R0.45 C=CCCOCCSCC 34a_100000212035_100000754431 [0,0,0,0,0,0|1,0,2]=3 325 B9R0.45 C=CCCOCCSCC 34a_100011205117_100000757381 [0,0,0,0,0,0|1,0,2]=3 326 B9R0.45 C=CCCOCCSCC 7a_100000212035_100000754431 [0,0,0,0,0,0|1,0,2]=3 327 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [0,0,0,0,0,0|0,1,2]=3 328 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [0,0,0,0,0,0|0,1,2]=3 329 B9R0.45 C=CCCSCCCCF 62a_100000729493_100000754431 [0,0,0,0,0,0|1,1,2]=4 330 B9R0.45 C=CCCSCCCCF 62a_100000754431_100000729493 [0,0,0,0,0,0|1,1,2]=4 331 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [0,0,0,0,0,0|1,1,2]=4 332 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [0,0,0,0,0,0|1,1,2]=4 333 B9R0.45 C=CCCSCCCOC 62a_100000709357_100000754431 [0,0,0,0,0,0|1,1,2]=4 334 B9R0.45 C=CCCSCCCOC 62a_100000754431_100000709357 [0,0,0,0,0,0|1,1,2]=4 335 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [0,0,0,0,0,0|1,1,2]=4 336 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [0,0,0,0,0,0|1,1,2]=4 337 B9R0.45 C=CCCSCCSCC 62a_100000754431_100000757381 [0,0,0,0,0,0|1,1,2]=4 338 B9R0.45 C=CCCSCCSCC 62a_100000757381_100000754431 [0,0,0,0,0,0|1,1,2]=4 339 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [0,0,0,0,0,0|2,0,2]=4 340 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [0,0,0,0,0,0|2,0,2]=4 341 B9R0.45 C=CCNCOCCCC 2230a_100020586998_100011995733 [0,0,0,0,0,0|1,0,2]=3 342 B9R0.45 C=CCNCOCCOC 2230a_100020586998_100000231047 [0,0,0,0,0,0|2,0,2]=4 343 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [0,0,0,0,0,0|2,0,2]=4 344 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [0,0,0,0,0,0|2,0,2]=4 345 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [0,0,0,0,0,0|2,0,2]=4 346 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [0,0,0,0,0,0|1,0,2]=3 347 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [0,0,0,0,0,0|2,0,2]=4 348 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [0,0,0,0,0,0|2,0,2]=4 349 B9R0.45 C=CCSCOCCCC 62a_100000210623_100011995733 [0,0,0,0,0,0|1,0,2]=3 350 B9R0.45 C=CCSCOCCCC 62a_100011995733_100000210623 [0,0,0,0,0,0|1,0,2]=3 351 B9R0.45 C=CCSCOCCOC 62a_100000210623_100000231047 [0,0,0,0,0,0|2,0,2]=4 352 B9R0.45 C=CCSCOCCOC 62a_100000231047_100000210623 [0,0,0,0,0,0|2,0,2]=4 353 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [0,0,0,0,0,0|2,0,2]=4 354 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [0,0,0,0,0,0|2,0,2]=4 355 B9R0.45 C=COCCOCCCBr 34a_100011217188_100000039644 [0,0,0,0,0,0|2,0,2]=4 356 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [0,0,0,0,0,0|1,0,2]=3 357 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [0,0,0,0,0,0|1,0,2]=3 358 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [0,0,0,0,0,0|1,0,2]=3 359 B9R0.45 C=COCCOCCCCl 34a_100000230001_100000039644 [0,0,0,0,0,0|2,0,2]=4 360 B9R0.45 C=COCCOCCCF 34a_100000033082_100011934791 [0,0,0,0,0,0|2,0,2]=4 361 B9R0.45 C=COCCOCCCF 34a_100000759539_100000039644 [0,0,0,0,0,0|2,0,2]=4 362 B9R0.45 C=COCCOCCCN 34a_100000182051_100000039644 [0,0,0,0,0,0|2,0,2]=4 363 B9R0.45 C=COCCOCCCO 34a_100000033082_100000230001 [0,0,0,0,0,0|2,0,2]=4 364 B9R0.45 C=COCCOCCOC 34a_100000033082_100011201679 [0,0,0,0,0,0|2,0,2]=4 365 B9R0.45 C=COCCOCCOC 34a_100000039918_200000210301 [0,0,0,0,0,0|2,0,2]=4 366 B9R0.45 C=COCCOCCOC 34a_100000210237_100000039644 [0,0,0,0,0,0|2,0,2]=4 367 B9R0.45 C=COCCOCCOC 7a_100000039918_200000210301 [0,0,0,0,0,0|2,0,2]=4 368 B9R0.45 C=COCCOCCO[13CH3] 34a_100000039918_200025704644 [0,0,0,0,0,0|2,0,2]=4 369 B9R0.45 C=COCCOCCO[13CH3] 7a_100000039918_200025704644 [0,0,0,0,0,0|2,0,2]=4 370 B9R0.45 C=COCCOCCSC 34a_100000033082_100000212216 [0,0,0,0,0,0|2,0,2]=4 371 B9R0.45 C=COCCOCCSC 34a_100000230434_100000039644 [0,0,0,0,0,0|2,0,2]=4 372 B9R0.45 C=COCCOCCSC 7a_100000230434_100000039644 [0,0,0,0,0,0|2,0,2]=4 373 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [0,0,0,0,0,0|1,1,2]=4 374 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [0,0,0,0,0,0|1,1,2]=4 375 B9R0.45 CC#CCCOC/C=C/C 34a_100000750427_100102629194 [0,0,0,0,0,0|0,0,4]=4 376 B9R0.45 CC#CCCOCC#CC 34a_100000750427_100000748600 [0,0,0,0,0,0|0,0,4]=4 377 B9R0.45 CC#CCCOCC=CC 34a_100000750427_100000070051 [0,0,0,0,0,0|0,0,4]=4 378 B9R0.45 CC#CCCOCCCC 34a_100000750427_100000210210 [0,0,0,0,0,0|0,0,2]=2 379 B9R0.45 CC#CCCOCCCF 34a_100000750427_100011934791 [0,0,0,0,0,0|1,0,2]=3 380 B9R0.45 CC#CCCOCCCO 34a_100000750427_100000230001 [0,0,0,0,0,0|1,0,2]=3 381 B9R0.45 CC#CCCOCCOC 34a_100000750427_100011201679 [0,0,0,0,0,0|1,0,2]=3 382 B9R0.45 CC#CCCOCCSC 34a_100000750427_100000212216 [0,0,0,0,0,0|1,0,2]=3 383 B9R0.45 CC#CCNCCCCC 2230a_100000209983_100000748600 [0,0,0,0,0,0|1,0,2]=3 384 B9R0.45 CC#CCNCCCCC 2230a_100000685387_100000210326 [0,0,0,0,0,0|1,0,2]=3 385 B9R0.45 CC#CCNCCCCC 34a_100000685387_100000718602 [0,0,0,0,0,0|1,0,2]=3 386 B9R0.45 CC#CCNCCCCF 2230a_100000685387_100000729493 [0,0,0,0,0,0|2,0,2]=4 387 B9R0.45 CC#CCNCCCCF 34a_100000685387_100000729493 [0,0,0,0,0,0|2,0,2]=4 388 B9R0.45 CC#CCNCCCCO 2230a_100000685387_100000210776 [0,0,0,0,0,0|2,0,2]=4 389 B9R0.45 CC#CCNCCCCO 2230a_100000750430_100000748600 [0,0,0,0,0,0|2,0,2]=4 390 B9R0.45 CC#CCNCCCCO 34a_100000685387_100011216708 [0,0,0,0,0,0|2,0,2]=4 391 B9R0.45 CC#CCNCCCCO 34a_100000750430_100000748600 [0,0,0,0,0,0|2,0,2]=4 392 B9R0.45 CC#CCNCCCOC 2230a_100000685387_100000740836 [0,0,0,0,0,0|2,0,2]=4 393 B9R0.45 CC#CCNCCCOC 34a_100000685387_100000740836 [0,0,0,0,0,0|2,0,2]=4 394 B9R0.45 CC#CCNCCCOC 34a_100150723488_100000748600 [0,0,0,0,0,0|2,0,2]=4 395 B9R0.45 CC#CCNCCCSC 2230a_100000749238_100000748600 [0,0,0,0,0,0|2,0,2]=4 396 B9R0.45 CC#CCNCCOCC 2230a_100000685387_100011215890 [0,0,0,0,0,0|2,0,2]=4 397 B9R0.45 CC#CCNCCOCC 2230a_102516460346_100000748600 [0,0,0,0,0,0|2,0,2]=4 398 B9R0.45 CC#CCNCCOCC 34a_100000685387_100000210147 [0,0,0,0,0,0|2,0,2]=4 399 B9R0.45 CC#CCNCCOCC 34a_102516460346_100000748600 [0,0,0,0,0,0|2,0,2]=4 400 B9R0.45 CC#CCNCCSCC 2230a_100000106463_100000748600 [0,0,0,0,0,0|2,0,2]=4 401 B9R0.45 CC#CCNCCSCC 2230a_100000685387_100000757381 [0,0,0,0,0,0|2,0,2]=4 402 B9R0.45 CC#CCNCCSCC 34a_100000685387_100000757381 [0,0,0,0,0,0|2,0,2]=4 403 B9R0.45 CC#CCOC/C=C\CC 34a_100000761923_100103147603 [0,0,0,0,0,0|0,0,4]=4 404 B9R0.45 CC#CCOC/C=C\CC 34a_100016268518_100000748600 [0,0,0,0,0,0|0,0,4]=4 405 B9R0.45 CC#CCOCC#CCC 34a_100000032950_100000748600 [0,0,0,0,0,0|0,0,4]=4 406 B9R0.45 CC#CCOCC#CCC 34a_100000761923_100009813939 [0,0,0,0,0,0|0,0,4]=4 407 B9R0.45 CC#CCOCC/C=C/C 34a_100016278192_100000748600 [0,0,0,0,0,0|0,0,4]=4 408 B9R0.45 CC#CCOCCCCBr 34a_100011216708_100000748600 [0,0,0,0,0,0|1,0,2]=3 409 B9R0.45 CC#CCOCCCCC 34a_100000210253_100000748600 [0,0,0,0,0,0|0,0,2]=2 410 B9R0.45 CC#CCOCCCCC 34a_100000761923_100000718602 [0,0,0,0,0,0|0,0,2]=2 411 B9R0.45 CC#CCOCCCCC 7a_100000210253_100000748600 [0,0,0,0,0,0|0,0,2]=2 412 B9R0.45 CC#CCOCCCCCl 34a_100000210776_100000748600 [0,0,0,0,0,0|1,0,2]=3 413 B9R0.45 CC#CCOCCCCCl 7a_100000210776_100000748600 [0,0,0,0,0,0|1,0,2]=3 414 B9R0.45 CC#CCOCCCCF 34a_100000761923_100000729493 [0,0,0,0,0,0|1,0,2]=3 415 B9R0.45 CC#CCOCCCCF 34a_100011995726_100000748600 [0,0,0,0,0,0|1,0,2]=3 416 B9R0.45 CC#CCOCCCCF 7a_100011995726_100000748600 [0,0,0,0,0,0|1,0,2]=3 417 B9R0.45 CC#CCOCCCCI 34a_200012148704_100000748600 [0,0,0,0,0,0|1,0,2]=3 418 B9R0.45 CC#CCOCCCCN 34a_100000750430_100000748600 [0,0,0,0,0,0|1,0,2]=3 419 B9R0.45 CC#CCOCCCCO 34a_100000761923_100011216708 [0,0,0,0,0,0|1,0,2]=3 420 B9R0.45 CC#CCOCCCNC 34a_100000213112_100000748600 [0,0,0,0,0,0|1,0,2]=3 421 B9R0.45 CC#CCOCCCOC 34a_100000740835_100000748600 [0,0,0,0,0,0|1,0,2]=3 422 B9R0.45 CC#CCOCCCOC 34a_100000761923_100000740836 [0,0,0,0,0,0|1,0,2]=3 423 B9R0.45 CC#CCOCCCSC 34a_100000690336_100000748600 [0,0,0,0,0,0|1,0,2]=3 424 B9R0.45 CC#CCOCCCSC 7a_100000690336_100000748600 [0,0,0,0,0,0|1,0,2]=3 425 B9R0.45 CC#CCOCCOCC 34a_100000210136_100000748600 [0,0,0,0,0,0|1,0,2]=3 426 B9R0.45 CC#CCOCCOCC 34a_100000761923_100000210147 [0,0,0,0,0,0|1,0,2]=3 427 B9R0.45 CC#CCOCCOCC 7a_100000210136_100000748600 [0,0,0,0,0,0|1,0,2]=3 428 B9R0.45 CC#CCOCCSCC 34a_100000212035_100000748600 [0,0,0,0,0,0|1,0,2]=3 429 B9R0.45 CC#CCOCCSCC 34a_100000761923_100000757381 [0,0,0,0,0,0|1,0,2]=3 430 B9R0.45 CC#CCOCCSCC 7a_100000212035_100000748600 [0,0,0,0,0,0|1,0,2]=3 431 B9R0.45 CC#CCSCCCCC 62a_100000210326_100000748600 [0,0,0,0,0,0|0,1,2]=3 432 B9R0.45 CC#CCSCCCCC 62a_100000748600_100000210326 [0,0,0,0,0,0|0,1,2]=3 433 B9R0.45 CC#CCSCCCCF 62a_100000729493_100000748600 [0,0,0,0,0,0|1,1,2]=4 434 B9R0.45 CC#CCSCCCCF 62a_100000748600_100000729493 [0,0,0,0,0,0|1,1,2]=4 435 B9R0.45 CC#CCSCCCCO 62a_100000210776_100000748600 [0,0,0,0,0,0|1,1,2]=4 436 B9R0.45 CC#CCSCCCCO 62a_100000748600_100000210776 [0,0,0,0,0,0|1,1,2]=4 437 B9R0.45 CC#CCSCCCOC 62a_100000709357_100000748600 [0,0,0,0,0,0|1,1,2]=4 438 B9R0.45 CC#CCSCCCOC 62a_100000748600_100000709357 [0,0,0,0,0,0|1,1,2]=4 439 B9R0.45 CC#CCSCCOCC 62a_100000210147_100000748600 [0,0,0,0,0,0|1,1,2]=4 440 B9R0.45 CC#CCSCCOCC 62a_100000748600_100011215890 [0,0,0,0,0,0|1,1,2]=4 441 B9R0.45 CC#CCSCCSCC 62a_100000748600_100000757381 [0,0,0,0,0,0|1,1,2]=4 442 B9R0.45 CC#CCSCCSCC 62a_100000757381_100000748600 [0,0,0,0,0,0|1,1,2]=4 443 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [0,0,0,0,0,0|2,0,2]=4 444 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [0,0,0,0,0,0|2,0,2]=4 445 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [0,0,0,0,0,0|2,0,2]=4 446 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [0,0,0,0,0,0|2,0,2]=4 447 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [0,0,0,0,0,0|2,0,2]=4 448 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [0,0,0,0,0,0|2,0,2]=4 449 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [0,0,0,0,0,0|2,0,2]=4 450 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [0,0,0,0,0,0|2,0,2]=4 451 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [0,0,0,0,0,0|2,0,2]=4 452 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [0,0,0,0,0,0|2,0,2]=4 453 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [0,0,0,0,0,0|2,0,2]=4 454 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [0,0,0,0,0,0|1,0,2]=3 455 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [0,0,0,0,0,0|1,0,2]=3 456 B9R0.45 CC/C=C\CNCCCF 2230a_100015189416_100103147603 [0,0,0,0,0,0|2,0,2]=4 457 B9R0.45 CC/C=C\CNCCCF 34a_100015189416_100103147603 [0,0,0,0,0,0|2,0,2]=4 458 B9R0.45 CC/C=C\CNCCOC 2230a_100000209980_100103147603 [0,0,0,0,0,0|2,0,2]=4 459 B9R0.45 CC/C=C\CNCCSC 2230a_100020590264_100103147603 [0,0,0,0,0,0|2,0,2]=4 460 B9R0.45 CC/C=C\COCCCBr 34a_100011217188_100103147603 [0,0,0,0,0,0|1,0,2]=3 461 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [0,0,0,0,0,0|0,0,2]=2 462 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [0,0,0,0,0,0|0,0,2]=2 463 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [0,0,0,0,0,0|0,0,2]=2 464 B9R0.45 CC/C=C\COCCCCl 34a_100000230001_100103147603 [0,0,0,0,0,0|1,0,2]=3 465 B9R0.45 CC/C=C\COCCCF 34a_100000759539_100103147603 [0,0,0,0,0,0|1,0,2]=3 466 B9R0.45 CC/C=C\COCCCF 34a_100016268518_100011934791 [0,0,0,0,0,0|1,0,2]=3 467 B9R0.45 CC/C=C\COCCCN 34a_100000182051_100103147603 [0,0,0,0,0,0|1,0,2]=3 468 B9R0.45 CC/C=C\COCCCO 34a_100016268518_100000230001 [0,0,0,0,0,0|1,0,2]=3 469 B9R0.45 CC/C=C\COCCOC 34a_100000210237_100103147603 [0,0,0,0,0,0|1,0,2]=3 470 B9R0.45 CC/C=C\COCCOC 34a_100016268518_100011201679 [0,0,0,0,0,0|1,0,2]=3 471 B9R0.45 CC/C=C\COCCON 34a_100000700252_100103147603 [0,0,0,0,0,0|2,0,2]=4 472 B9R0.45 CC/C=C\COCCSC 34a_100000230434_100103147603 [0,0,0,0,0,0|1,0,2]=3 473 B9R0.45 CC/C=C\COCCSC 34a_100016268518_100000212216 [0,0,0,0,0,0|1,0,2]=3 474 B9R0.45 CC/C=C\COCCSC 7a_100000230434_100103147603 [0,0,0,0,0,0|1,0,2]=3 475 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [0,0,0,0,0,0|0,1,2]=3 476 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [0,0,0,0,0,0|0,1,2]=3 477 B9R0.45 CC/C=C\CSCCCF 62a_100011934791_100103147603 [0,0,0,0,0,0|1,1,2]=4 478 B9R0.45 CC/C=C\CSCCCF 62a_100103147603_100011934791 [0,0,0,0,0,0|1,1,2]=4 479 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [0,0,0,0,0,0|1,1,2]=4 480 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [0,0,0,0,0,0|1,1,2]=4 481 B9R0.45 CC/C=C\CSCCOC 62a_100000233755_100103147603 [0,0,0,0,0,0|1,1,2]=4 482 B9R0.45 CC/C=C\CSCCOC 62a_100103147603_100000233755 [0,0,0,0,0,0|1,1,2]=4 483 B9R0.45 CC/C=C\CSCCSC 62a_100000212216_100103147603 [0,0,0,0,0,0|1,1,2]=4 484 B9R0.45 CC/C=C\CSCCSC 62a_100103147603_100000751147 [0,0,0,0,0,0|1,1,2]=4 485 B9R0.45 CC/C=C\CSCOCC 62a_100000739092_100103147603 [0,0,0,0,0,0|1,1,2]=4 486 B9R0.45 CC/C=C\CSCOCC 62a_100103147603_100000739092 [0,0,0,0,0,0|1,1,2]=4 487 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [0,0,0,0,0,0|2,0,2]=4 488 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [0,0,0,0,0,0|1,0,2]=3 489 B9R0.45 CC=CCNCCCCO 2230a_100000750430_100000070051 [0,0,0,0,0,0|2,0,2]=4 490 B9R0.45 CC=CCNCCCCO 34a_100000750430_100000070051 [0,0,0,0,0,0|2,0,2]=4 491 B9R0.45 CC=CCNCCCOC 34a_100150723488_100000070051 [0,0,0,0,0,0|2,0,2]=4 492 B9R0.45 CC=CCNCCCSC 2230a_100000749238_100000070051 [0,0,0,0,0,0|2,0,2]=4 493 B9R0.45 CC=CCNCCOCC 2230a_102516460346_100000070051 [0,0,0,0,0,0|2,0,2]=4 494 B9R0.45 CC=CCNCCOCC 34a_102516460346_100000070051 [0,0,0,0,0,0|2,0,2]=4 495 B9R0.45 CC=CCNCCSCC 2230a_100000106463_100000070051 [0,0,0,0,0,0|2,0,2]=4 496 B9R0.45 CC=CCOC/C=C\CC 34a_100016268518_100000070051 [0,0,0,0,0,0|0,0,4]=4 497 B9R0.45 CC=CCOCC#CCC 34a_100000032950_100000070051 [0,0,0,0,0,0|0,0,4]=4 498 B9R0.45 CC=CCOCC/C=C/C 34a_100016278192_100000070051 [0,0,0,0,0,0|0,0,4]=4 499 B9R0.45 CC=CCOCCCCBr 34a_100011216708_100000070051 [0,0,0,0,0,0|1,0,2]=3 500 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [0,0,0,0,0,0|0,0,2]=2 501 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [0,0,0,0,0,0|0,0,2]=2 502 B9R0.45 CC=CCOCCCCCl 34a_100000210776_100000070051 [0,0,0,0,0,0|1,0,2]=3 503 B9R0.45 CC=CCOCCCCCl 7a_100000210776_100000070051 [0,0,0,0,0,0|1,0,2]=3 504 B9R0.45 CC=CCOCCCCF 34a_100011995726_100000070051 [0,0,0,0,0,0|1,0,2]=3 505 B9R0.45 CC=CCOCCCCF 7a_100011995726_100000070051 [0,0,0,0,0,0|1,0,2]=3 506 B9R0.45 CC=CCOCCCCI 34a_200012148704_100000070051 [0,0,0,0,0,0|1,0,2]=3 507 B9R0.45 CC=CCOCCCCN 34a_100000750430_100000070051 [0,0,0,0,0,0|1,0,2]=3 508 B9R0.45 CC=CCOCCCNC 34a_100000213112_100000070051 [0,0,0,0,0,0|1,0,2]=3 509 B9R0.45 CC=CCOCCCOC 34a_100000740835_100000070051 [0,0,0,0,0,0|1,0,2]=3 510 B9R0.45 CC=CCOCCCSC 34a_100000690336_100000070051 [0,0,0,0,0,0|1,0,2]=3 511 B9R0.45 CC=CCOCCCSC 7a_100000690336_100000070051 [0,0,0,0,0,0|1,0,2]=3 512 B9R0.45 CC=CCOCCOCC 34a_100000210136_100000070051 [0,0,0,0,0,0|1,0,2]=3 513 B9R0.45 CC=CCOCCOCC 7a_100000210136_100000070051 [0,0,0,0,0,0|1,0,2]=3 514 B9R0.45 CC=CCOCCSCC 34a_100000212035_100000070051 [0,0,0,0,0,0|1,0,2]=3 515 B9R0.45 CC=CCOCCSCC 7a_100000212035_100000070051 [0,0,0,0,0,0|1,0,2]=3 516 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [0,0,0,0,0,0|0,1,2]=3 517 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [0,0,0,0,0,0|0,1,2]=3 518 B9R0.45 CC=CCSCCCCF 62a_100000070051_100000729493 [0,0,0,0,0,0|1,1,2]=4 519 B9R0.45 CC=CCSCCCCF 62a_100000729493_100000070051 [0,0,0,0,0,0|1,1,2]=4 520 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [0,0,0,0,0,0|1,1,2]=4 521 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [0,0,0,0,0,0|1,1,2]=4 522 B9R0.45 CC=CCSCCCOC 62a_100000070051_100000709357 [0,0,0,0,0,0|1,1,2]=4 523 B9R0.45 CC=CCSCCCOC 62a_100000709357_100000070051 [0,0,0,0,0,0|1,1,2]=4 524 B9R0.45 CC=CCSCCOCC 62a_100000070051_100011215890 [0,0,0,0,0,0|1,1,2]=4 525 B9R0.45 CC=CCSCCOCC 62a_100000210147_100000070051 [0,0,0,0,0,0|1,1,2]=4 526 B9R0.45 CC=CCSCCSCC 62a_100000070051_100000757381 [0,0,0,0,0,0|1,1,2]=4 527 B9R0.45 CC=CCSCCSCC 62a_100000757381_100000070051 [0,0,0,0,0,0|1,1,2]=4 528 B9R0.45 CCC#CCCOCCC 34a_100000036655_100000210303 [0,0,0,0,0,0|2,0,2]=4 529 B9R0.45 CCC#CCCOCCC 7a_100000036655_100000210303 [0,0,0,0,0,0|2,0,2]=4 530 B9R0.45 CCC#CCNCCCC 2230a_100000102301_100009813939 [0,0,0,0,0,0|1,0,2]=3 531 B9R0.45 CCC#CCNCCCC 7a_106832991798_100009813939 [0,0,0,0,0,0|1,0,2]=3 532 B9R0.45 CCC#CCNCCCF 2230a_100015189416_100009813939 [0,0,0,0,0,0|2,0,2]=4 533 B9R0.45 CCC#CCNCCCF 34a_100015189416_100009813939 [0,0,0,0,0,0|2,0,2]=4 534 B9R0.45 CCC#CCNCCOC 2230a_100000209980_100009813939 [0,0,0,0,0,0|2,0,2]=4 535 B9R0.45 CCC#CCNCCSC 2230a_100020590264_100009813939 [0,0,0,0,0,0|2,0,2]=4 536 B9R0.45 CCC#CCOCCCBr 34a_100011217188_100009813939 [0,0,0,0,0,0|1,0,2]=3 537 B9R0.45 CCC#CCOCCCC 34a_100000032950_100000210210 [0,0,0,0,0,0|0,0,2]=2 538 B9R0.45 CCC#CCOCCCC 34a_100000210227_100009813939 [0,0,0,0,0,0|0,0,2]=2 539 B9R0.45 CCC#CCOCCCC 7a_100000210227_100009813939 [0,0,0,0,0,0|0,0,2]=2 540 B9R0.45 CCC#CCOCCCCl 34a_100000230001_100009813939 [0,0,0,0,0,0|1,0,2]=3 541 B9R0.45 CCC#CCOCCCF 34a_100000032950_100011934791 [0,0,0,0,0,0|1,0,2]=3 542 B9R0.45 CCC#CCOCCCF 34a_100000759539_100009813939 [0,0,0,0,0,0|1,0,2]=3 543 B9R0.45 CCC#CCOCCCN 34a_100000182051_100009813939 [0,0,0,0,0,0|1,0,2]=3 544 B9R0.45 CCC#CCOCCCO 34a_100000032950_100000230001 [0,0,0,0,0,0|1,0,2]=3 545 B9R0.45 CCC#CCOCCOC 34a_100000032950_100011201679 [0,0,0,0,0,0|1,0,2]=3 546 B9R0.45 CCC#CCOCCOC 34a_100000210237_100009813939 [0,0,0,0,0,0|1,0,2]=3 547 B9R0.45 CCC#CCOCCON 34a_100000700252_100009813939 [0,0,0,0,0,0|2,0,2]=4 548 B9R0.45 CCC#CCOCCSC 34a_100000032950_100000212216 [0,0,0,0,0,0|1,0,2]=3 549 B9R0.45 CCC#CCOCCSC 34a_100000230434_100009813939 [0,0,0,0,0,0|1,0,2]=3 550 B9R0.45 CCC#CCOCCSC 7a_100000230434_100009813939 [0,0,0,0,0,0|1,0,2]=3 551 B9R0.45 CCC#CCSCCCC 62a_100000210211_100009813939 [0,0,0,0,0,0|0,1,2]=3 552 B9R0.45 CCC#CCSCCCC 62a_100009813939_100000210210 [0,0,0,0,0,0|0,1,2]=3 553 B9R0.45 CCC#CCSCCCF 62a_100009813939_100011934791 [0,0,0,0,0,0|1,1,2]=4 554 B9R0.45 CCC#CCSCCCF 62a_100011934791_100009813939 [0,0,0,0,0,0|1,1,2]=4 555 B9R0.45 CCC#CCSCCCO 62a_100009813939_100011215043 [0,0,0,0,0,0|1,1,2]=4 556 B9R0.45 CCC#CCSCCCO 62a_100011215043_100009813939 [0,0,0,0,0,0|1,1,2]=4 557 B9R0.45 CCC#CCSCCOC 62a_100000233755_100009813939 [0,0,0,0,0,0|1,1,2]=4 558 B9R0.45 CCC#CCSCCOC 62a_100009813939_100000233755 [0,0,0,0,0,0|1,1,2]=4 559 B9R0.45 CCC#CCSCCSC 62a_100000212216_100009813939 [0,0,0,0,0,0|1,1,2]=4 560 B9R0.45 CCC#CCSCCSC 62a_100009813939_100000751147 [0,0,0,0,0,0|1,1,2]=4 561 B9R0.45 CCC#CCSCOCC 62a_100000739092_100009813939 [0,0,0,0,0,0|1,1,2]=4 562 B9R0.45 CCC#CCSCOCC 62a_100009813939_100000739092 [0,0,0,0,0,0|1,1,2]=4 563 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [0,0,0,0,0,0|2,0,1]=3 564 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [0,0,0,0,0,0|2,0,1]=3 565 B9R0.45 CCC/C=C/COCCF 34a_100016278788_100011217306 [0,0,0,0,0,0|3,0,1]=4 566 B9R0.45 CCC/C=C/COCCF 7a_100016278788_100011217306 [0,0,0,0,0,0|3,0,1]=4 567 B9R0.45 CCC/C=C/COCCO 34a_100016278788_100000211926 [0,0,0,0,0,0|3,0,1]=4 568 B9R0.45 CCC/C=C/COCCO 7a_100016278788_100000211926 [0,0,0,0,0,0|3,0,1]=4 569 B9R0.45 CCC/C=C/COCSC 34a_100016278788_100011218213 [0,0,0,0,0,0|3,0,1]=4 570 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [0,0,0,0,0,0|2,0,1]=3 571 B9R0.45 CCC=NNCCOCC 4a_100000732670_100000210100 [0,0,0,0,0,0|3,0,1]=4 572 B9R0.45 CCCC#CCCOCC 34a_100000042726_100000210202 [0,0,0,0,0,0|2,0,1]=3 573 B9R0.45 CCCC#CCCOCC 7a_100000042726_100000210202 [0,0,0,0,0,0|2,0,1]=3 574 B9R0.45 CCCC#CCCOCF 34a_100000042726_100015361967 [0,0,0,0,0,0|3,0,1]=4 575 B9R0.45 CCCC#CCCOCF 7a_100000042726_100015361967 [0,0,0,0,0,0|3,0,1]=4 576 B9R0.45 CCCC#CCOCCC 34a_100000034806_100000210303 [0,0,0,0,0,0|2,0,1]=3 577 B9R0.45 CCCC#CCOCCC 7a_100000034806_100000210303 [0,0,0,0,0,0|2,0,1]=3 578 B9R0.45 CCCC#CCOCCF 34a_100000034806_100011217306 [0,0,0,0,0,0|3,0,1]=4 579 B9R0.45 CCCC#CCOCCF 7a_100000034806_100011217306 [0,0,0,0,0,0|3,0,1]=4 580 B9R0.45 CCCC#CCOCCO 34a_100000034806_100000211926 [0,0,0,0,0,0|3,0,1]=4 581 B9R0.45 CCCC#CCOCCO 7a_100000034806_100000211926 [0,0,0,0,0,0|3,0,1]=4 582 B9R0.45 CCCC#CCOCSC 34a_100000034806_100011218213 [0,0,0,0,0,0|3,0,1]=4 583 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [0,0,0,0,0,0|2,0,1]=3 584 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [0,0,0,0,0,0|2,0,1]=3 585 B9R0.45 CCCC/C=C/COCF 34a_200016272032_100015361967 [0,0,0,0,0,0|3,0,1]=4 586 B9R0.45 CCCC/C=C/COCF 7a_200016272032_100015361967 [0,0,0,0,0,0|3,0,1]=4 587 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [0,0,0,0,0,0|2,0,1]=3 588 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [0,0,0,0,0,0|2,0,1]=3 589 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [0,0,0,0,0,0|2,0,1]=3 590 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [0,0,0,0,0,0|2,0,1]=3 591 B9R0.45 CCCC=NNCCCC 4a_100025702795_100000185831 [0,0,0,0,0,0|2,0,1]=3 592 B9R0.45 CCCCC#CCCOC 34a_100000037610_200000210301 [0,0,0,0,0,0|2,0,1]=3 593 B9R0.45 CCCCC#CCCOC 7a_100000037610_200000210301 [0,0,0,0,0,0|2,0,1]=3 594 B9R0.45 CCCCC#CCCO[13CH3] 34a_100000037610_200025704644 [0,0,0,0,0,0|2,0,1]=3 595 B9R0.45 CCCCC#CCCO[13CH3] 7a_100000037610_200025704644 [0,0,0,0,0,0|2,0,1]=3 596 B9R0.45 CCCCC#CCOCC 34a_200000034558_100000210202 [0,0,0,0,0,0|2,0,1]=3 597 B9R0.45 CCCCC#CCOCC 7a_200000034558_100000210202 [0,0,0,0,0,0|2,0,1]=3 598 B9R0.45 CCCCC#CCOCF 34a_200000034558_100015361967 [0,0,0,0,0,0|3,0,1]=4 599 B9R0.45 CCCCC#CCOCF 7a_200000034558_100015361967 [0,0,0,0,0,0|3,0,1]=4 600 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [0,0,0,0,0,0|2,0,1]=3 601 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [0,0,0,0,0,0|2,0,1]=3 602 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [0,0,0,0,0,0|2,0,1]=3 603 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [0,0,0,0,0,0|2,0,1]=3 604 B9R0.45 CCCCC=NNCCC 4a_100000740057_100000210104 [0,0,0,0,0,0|2,0,1]=3 605 B9R0.45 CCCCC=NNCCO 4a_100000210001_100000210104 [0,0,0,0,0,0|3,0,1]=4 606 B9R0.45 CCCCCC#CCNC 2230a_106832991635_100009816472 [0,0,0,0,0,0|2,0,1]=3 607 B9R0.45 CCCCCC#CCNC 34a_100102657272_100009816472 [0,0,0,0,0,0|2,0,1]=3 608 B9R0.45 CCCCCC#CCNC 7a_106832991635_100009816472 [0,0,0,0,0,0|2,0,1]=3 609 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [0,0,0,0,0,0|2,0,1]=3 610 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [0,0,0,0,0,0|2,0,1]=3 611 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [0,0,0,0,0,0|2,0,1]=3 612 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [0,0,0,0,0,0|2,0,1]=3 613 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [0,0,0,0,0,0|2,0,1]=3 614 B9R0.45 CCCCCC#CCSC 62a_100009816472_200000210301 [0,0,0,0,0,0|2,0,1]=3 615 B9R0.45 CCCCCC#CCSC 62a_200000210301_100009816472 [0,0,0,0,0,0|2,0,1]=3 616 B9R0.45 CCCCCC#CCS[13CH3] 62a_100009816472_200025704644 [0,0,0,0,0,0|2,0,1]=3 617 B9R0.45 CCCCCC#CCS[13CH3] 62a_200025704644_100009816472 [0,0,0,0,0,0|2,0,1]=3 618 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [0,0,0,0,0,0|3,0,0]=3 619 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [0,0,0,0,0,0|2,0,0]=2 620 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [0,0,0,0,0,0|2,0,0]=2 621 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [0,0,0,0,0,0|2,0,0]=2 622 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [0,0,0,0,0,0|2,0,0]=2 623 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [0,0,0,0,0,0|2,0,0]=2 624 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [0,0,0,0,0,0|2,0,0]=2 625 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [0,0,0,0,0,0|2,0,0]=2 626 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [0,0,0,0,0,0|2,0,0]=2 627 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [0,0,0,0,0,0|2,0,0]=2 628 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [0,0,0,0,0,0|2,0,0]=2 629 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [0,0,0,0,0,0|2,0,0]=2 630 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [0,0,0,0,0,0|2,0,0]=2 631 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [0,0,0,0,0,0|2,0,0]=2 632 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [0,0,0,0,0,0|2,0,0]=2 633 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [0,0,0,0,0,0|2,0,0]=2 634 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [0,0,0,0,0,0|2,0,0]=2 635 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [0,0,0,0,0,0|2,0,0]=2 636 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [0,0,0,0,0,0|2,0,0]=2 637 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [0,0,0,0,0,0|2,0,0]=2 638 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [0,0,0,0,0,0|2,0,0]=2 639 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [0,0,0,0,0,0|2,0,0]=2 640 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [0,0,0,0,0,0|3,0,0]=3 641 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [0,0,0,0,0,0|3,0,0]=3 642 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [0,0,0,0,0,0|2,0,0]=2 643 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [0,0,0,0,0,0|2,0,0]=2 644 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [0,0,0,0,0,0|3,0,0]=3 645 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [0,0,0,0,0,0|3,0,0]=3 646 B9R0.45 CCCCCCNCC#N 2230a_100000210581_100011215382 [0,0,0,0,0,0|3,0,1]=4 647 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [0,0,0,0,0,0|3,0,1]=4 648 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [0,0,0,0,0,0|2,0,0]=2 649 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [0,0,0,0,0,0|3,0,0]=3 650 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [0,0,0,0,0,0|3,0,0]=3 651 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [0,0,0,0,0,0|3,0,0]=3 652 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [0,0,0,0,0,0|3,0,0]=3 653 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [0,0,0,0,0,0|3,0,0]=3 654 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [0,0,0,0,0,0|3,0,0]=3 655 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [0,0,0,0,0,0|3,0,0]=3 656 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [0,0,0,0,0,0|3,0,1]=4 657 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [0,0,0,0,0,0|3,0,1]=4 658 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [0,0,0,0,0,0|3,0,1]=4 659 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [0,0,0,0,0,0|3,0,0]=3 660 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [0,0,0,0,0,0|2,0,0]=2 661 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [0,0,0,0,0,0|2,0,0]=2 662 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [0,0,0,0,0,0|2,0,0]=2 663 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [0,0,0,0,0,0|3,0,0]=3 664 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [0,0,0,0,0,0|3,0,0]=3 665 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [0,0,0,0,0,0|3,0,0]=3 666 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [0,0,0,0,0,0|3,0,0]=3 667 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [0,0,0,0,0,0|3,0,0]=3 668 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [0,0,0,0,0,0|3,0,0]=3 669 B9R0.45 CCCCCCSCC#N 62a_100000210314_100011215382 [0,0,0,0,0,0|3,0,1]=4 670 B9R0.45 CCCCCCSCC#N 62a_100011215382_100000210757 [0,0,0,0,0,0|3,0,1]=4 671 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [0,0,0,0,0,0|3,0,1]=4 672 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [0,0,0,0,0,0|3,0,1]=4 673 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [0,0,0,0,0,0|2,0,0]=2 674 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [0,0,0,0,0,0|2,0,0]=2 675 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [0,0,0,0,0,0|3,0,0]=3 676 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [0,0,0,0,0,0|3,0,0]=3 677 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [0,0,0,0,0,0|3,0,0]=3 678 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [0,0,0,0,0,0|3,0,0]=3 679 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [0,0,0,0,0,0|3,0,0]=3 680 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [0,0,0,0,0,0|3,0,0]=3 681 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [0,0,0,0,0,0|3,0,0]=3 682 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [0,0,0,0,0,0|3,0,0]=3 683 B9R0.45 CCCCCNCCC#N 2230a_100000209983_100011215226 [0,0,0,0,0,0|2,0,1]=3 684 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [0,0,0,0,0,0|1,0,0]=1 685 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [0,0,0,0,0,0|1,0,0]=1 686 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [0,0,0,0,0,0|1,0,0]=1 687 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [0,0,0,0,0,0|2,0,0]=2 688 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [0,0,0,0,0,0|2,0,0]=2 689 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [0,0,0,0,0,0|2,0,0]=2 690 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [0,0,0,0,0,0|2,0,0]=2 691 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [0,0,0,0,0,0|2,0,0]=2 692 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [0,0,0,0,0,0|2,0,0]=2 693 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [0,0,0,0,0,0|2,0,0]=2 694 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [0,0,0,0,0,0|2,0,0]=2 695 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [0,0,0,0,0,0|2,0,0]=2 696 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [0,0,0,0,0,0|2,0,0]=2 697 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [0,0,0,0,0,0|1,0,1]=2 698 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [0,0,0,0,0,0|1,0,0]=1 699 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [0,0,0,0,0,0|0,0,0]=0 700 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [0,0,0,0,0,0|0,0,0]=0 701 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [0,0,0,0,0,0|0,0,0]=0 702 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [0,0,0,0,0,0|0,0,0]=0 703 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [0,0,0,0,0,0|1,0,0]=1 704 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [0,0,0,0,0,0|1,0,0]=1 705 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [0,0,0,0,0,0|1,0,0]=1 706 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [0,0,0,0,0,0|1,0,0]=1 707 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [0,0,0,0,0,0|1,0,0]=1 708 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [0,0,0,0,0,0|1,0,0]=1 709 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [0,0,0,0,0,0|1,0,0]=1 710 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [0,0,0,0,0,0|1,0,0]=1 711 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [0,0,0,0,0,0|1,0,0]=1 712 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [0,0,0,0,0,0|1,0,0]=1 713 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [0,0,0,0,0,0|1,0,0]=1 714 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [0,0,0,0,0,0|1,0,0]=1 715 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [0,0,0,0,0,0|2,0,0]=2 716 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [0,0,0,0,0,0|1,0,0]=1 717 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [0,0,0,0,0,0|1,0,0]=1 718 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [0,0,0,0,0,0|1,0,0]=1 719 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [0,0,0,0,0,0|1,0,0]=1 720 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [0,0,0,0,0,0|1,0,0]=1 721 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [0,0,0,0,0,0|1,0,0]=1 722 B9R0.45 CCCCCSCCC#N 62a_100000210326_100011215226 [0,0,0,0,0,0|1,1,1]=3 723 B9R0.45 CCCCCSCCC#N 62a_100011215226_100000210326 [0,0,0,0,0,0|1,1,1]=3 724 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [0,0,0,0,0,0|0,1,0]=1 725 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [0,0,0,0,0,0|0,1,0]=1 726 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [0,0,0,0,0,0|1,1,0]=2 727 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [0,0,0,0,0,0|1,1,0]=2 728 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [0,0,0,0,0,0|1,1,0]=2 729 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [0,0,0,0,0,0|1,1,0]=2 730 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [0,0,0,0,0,0|1,1,0]=2 731 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [0,0,0,0,0,0|1,1,0]=2 732 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [0,0,0,0,0,0|1,1,0]=2 733 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [0,0,0,0,0,0|1,1,0]=2 734 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [0,0,0,0,0,0|1,1,0]=2 735 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [0,0,0,0,0,0|1,1,0]=2 736 B9R0.45 CCCCCSCSC#N 62a_100000210326_100000211825 [0,0,0,0,0,0|2,1,1]=4 737 B9R0.45 CCCCCSCSC#N 62a_100000211825_100000210326 [0,0,0,0,0,0|2,1,1]=4 738 B9R0.45 CCCCNCC#CCO 2230a_100000102301_200000047223 [0,0,0,0,0,0|2,0,2]=4 739 B9R0.45 CCCCNCC#CCO 7a_106832991798_200000047223 [0,0,0,0,0,0|2,0,2]=4 740 B9R0.45 CCCCNCCCC#N 2230a_100000102301_100000687738 [0,0,0,0,0,0|2,0,1]=3 741 B9R0.45 CCCCNCCCC#N 7a_106832991798_100000687738 [0,0,0,0,0,0|2,0,1]=3 742 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [0,0,0,0,0,0|2,0,1]=3 743 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [0,0,0,0,0,0|2,0,1]=3 744 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [0,0,0,0,0,0|2,0,0]=2 745 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [0,0,0,0,0,0|2,0,0]=2 746 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [0,0,0,0,0,0|2,0,0]=2 747 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [0,0,0,0,0,0|2,0,0]=2 748 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [0,0,0,0,0,0|2,0,0]=2 749 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [0,0,0,0,0,0|2,0,0]=2 750 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [0,0,0,0,0,0|2,0,0]=2 751 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [0,0,0,0,0,0|2,0,0]=2 752 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [0,0,0,0,0,0|2,0,0]=2 753 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [0,0,0,0,0,0|2,0,0]=2 754 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [0,0,0,0,0,0|2,0,0]=2 755 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [0,0,0,0,0,0|2,0,0]=2 756 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [0,0,0,0,0,0|2,0,0]=2 757 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [0,0,0,0,0,0|2,0,0]=2 758 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [0,0,0,0,0,0|2,0,0]=2 759 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [0,0,0,0,0,0|2,0,0]=2 760 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [0,0,0,0,0,0|2,0,0]=2 761 B9R0.45 CCCCOCC#CCCl 34a_200000047223_100000210210 [0,0,0,0,0,0|1,0,2]=3 762 B9R0.45 CCCCOCC#CCO 34a_100000210227_200000047223 [0,0,0,0,0,0|1,0,2]=3 763 B9R0.45 CCCCOCC#CCO 7a_100000210227_200000047223 [0,0,0,0,0,0|1,0,2]=3 764 B9R0.45 CCCCOCCCC#N 7a_100000210227_100000687738 [0,0,0,0,0,0|1,0,1]=2 765 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [0,0,0,0,0,0|1,0,1]=2 766 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [0,0,0,0,0,0|1,0,0]=1 767 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [0,0,0,0,0,0|1,0,0]=1 768 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [0,0,0,0,0,0|1,0,0]=1 769 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [0,0,0,0,0,0|1,0,0]=1 770 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [0,0,0,0,0,0|1,0,0]=1 771 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [0,0,0,0,0,0|1,0,0]=1 772 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [0,0,0,0,0,0|1,0,0]=1 773 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [0,0,0,0,0,0|1,0,0]=1 774 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [0,0,0,0,0,0|1,0,0]=1 775 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [0,0,0,0,0,0|1,0,0]=1 776 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [0,0,0,0,0,0|1,0,0]=1 777 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [0,0,0,0,0,0|1,0,0]=1 778 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [0,0,0,0,0,0|1,0,0]=1 779 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [0,0,0,0,0,0|1,0,0]=1 780 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [0,0,0,0,0,0|1,0,0]=1 781 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [0,0,0,0,0,0|1,0,0]=1 782 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [0,0,0,0,0,0|1,0,0]=1 783 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [0,0,0,0,0,0|1,0,0]=1 784 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [0,0,0,0,0,0|1,0,0]=1 785 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [0,0,0,0,0,0|1,0,0]=1 786 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [0,0,0,0,0,0|1,0,0]=1 787 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [0,0,0,0,0,0|1,0,0]=1 788 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [0,0,0,0,0,0|1,0,0]=1 789 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [0,0,0,0,0,0|1,0,0]=1 790 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [0,0,0,0,0,0|1,0,0]=1 791 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [0,0,0,0,0,0|1,0,0]=1 792 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [0,0,0,0,0,0|1,0,0]=1 793 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [0,0,0,0,0,0|1,0,0]=1 794 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [0,0,0,0,0,0|1,0,0]=1 795 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [0,0,0,0,0,0|1,0,0]=1 796 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [0,0,0,0,0,0|1,0,0]=1 797 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [0,0,0,0,0,0|1,0,0]=1 798 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [0,0,0,0,0,0|1,0,0]=1 799 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [0,0,0,0,0,0|2,0,0]=2 800 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [0,0,0,0,0,0|2,0,0]=2 801 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [0,0,0,0,0,0|1,0,0]=1 802 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [0,0,0,0,0,0|1,0,0]=1 803 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [0,0,0,0,0,0|1,0,0]=1 804 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [0,0,0,0,0,0|1,0,0]=1 805 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [0,0,0,0,0,0|1,0,0]=1 806 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [0,0,0,0,0,0|1,0,0]=1 807 B9R0.45 CCCCOCCSCF 62a_100000743108_100015361967 [0,0,0,0,0,0|2,0,0]=2 808 B9R0.45 CCCCOCCSCF 62a_100015361967_100000743108 [0,0,0,0,0,0|2,0,0]=2 809 B9R0.45 CCCCOCNCCF 34a_100000724931_100011995733 [0,0,0,0,0,0|2,0,0]=2 810 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [0,0,0,0,0,0|2,0,0]=2 811 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [0,0,0,0,0,0|2,0,0]=2 812 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [0,0,0,0,0,0|2,0,0]=2 813 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [0,0,0,0,0,0|1,0,0]=1 814 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [0,0,0,0,0,0|2,0,0]=2 815 B9R0.45 CCCCOCSCC#N 62a_100011215382_100011995733 [0,0,0,0,0,0|2,0,1]=3 816 B9R0.45 CCCCOCSCC#N 62a_100011995733_100011215382 [0,0,0,0,0,0|2,0,1]=3 817 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [0,0,0,0,0,0|2,0,1]=3 818 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [0,0,0,0,0,0|2,0,1]=3 819 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [0,0,0,0,0,0|1,0,0]=1 820 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [0,0,0,0,0,0|1,0,0]=1 821 B9R0.45 CCCCOCSCCF 62a_100011217306_100011995733 [0,0,0,0,0,0|2,0,0]=2 822 B9R0.45 CCCCOCSCCF 62a_100011995733_100011217306 [0,0,0,0,0,0|2,0,0]=2 823 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [0,0,0,0,0,0|2,0,0]=2 824 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [0,0,0,0,0,0|2,0,0]=2 825 B9R0.45 CCCCOCSCOC 62a_100000766300_100011995733 [0,0,0,0,0,0|2,0,0]=2 826 B9R0.45 CCCCOCSCOC 62a_100011995733_100000766300 [0,0,0,0,0,0|2,0,0]=2 827 B9R0.45 CCCCOCSCSC 62a_100011218213_100011995733 [0,0,0,0,0,0|2,0,0]=2 828 B9R0.45 CCCCOCSCSC 62a_100011995733_100011218213 [0,0,0,0,0,0|2,0,0]=2 829 B9R0.45 CCCCSCC#CCO 62a_100000210211_200000047223 [0,0,0,0,0,0|1,1,2]=4 830 B9R0.45 CCCCSCC#CCO 62a_200000047223_100000210210 [0,0,0,0,0,0|1,1,2]=4 831 B9R0.45 CCCCSCCCC#N 62a_100000210211_100000687738 [0,0,0,0,0,0|1,1,1]=3 832 B9R0.45 CCCCSCCCC#N 62a_100000687738_100000210210 [0,0,0,0,0,0|1,1,1]=3 833 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [0,0,0,0,0,0|1,1,1]=3 834 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [0,0,0,0,0,0|1,1,1]=3 835 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [0,0,0,0,0,0|1,1,0]=2 836 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [0,0,0,0,0,0|1,1,0]=2 837 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [0,0,0,0,0,0|1,1,0]=2 838 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [0,0,0,0,0,0|1,1,0]=2 839 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [0,0,0,0,0,0|1,1,0]=2 840 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [0,0,0,0,0,0|1,1,0]=2 841 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [0,0,0,0,0,0|1,1,0]=2 842 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [0,0,0,0,0,0|1,1,0]=2 843 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [0,0,0,0,0,0|1,1,0]=2 844 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [0,0,0,0,0,0|1,1,0]=2 845 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [0,0,0,0,0,0|1,1,0]=2 846 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [0,0,0,0,0,0|2,1,0]=3 847 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [0,0,0,0,0,0|2,1,0]=3 848 B9R0.45 CCCCSCCSC#N 62a_100000034367_100000210210 [0,0,0,0,0,0|2,1,1]=4 849 B9R0.45 CCCCSCCSC#N 62a_100000210211_100000034367 [0,0,0,0,0,0|2,1,1]=4 850 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [0,0,0,0,0,0|1,1,0]=2 851 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [0,0,0,0,0,0|1,1,0]=2 852 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [0,0,0,0,0,0|3,0,0]=3 853 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [0,0,0,0,0,0|3,0,0]=3 854 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [0,0,0,0,0,0|3,0,0]=3 855 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [0,0,0,0,0,0|3,0,0]=3 856 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [0,0,0,0,0,0|3,0,0]=3 857 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [0,0,0,0,0,0|3,0,0]=3 858 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [0,0,0,0,0,0|4,0,0]=4 859 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [0,0,0,0,0,0|4,0,0]=4 860 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [0,0,0,0,0,0|3,0,0]=3 861 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [0,0,0,0,0,0|4,0,0]=4 862 B9R0.45 CCCNN=CCCSC 4a_100000740057_100000210997 [0,0,0,0,0,0|3,0,1]=4 863 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [0,0,0,0,0,0|3,0,0]=3 864 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [0,0,0,0,0,0|3,0,0]=3 865 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [0,0,0,0,0,0|3,0,0]=3 866 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [0,0,0,0,0,0|3,0,0]=3 867 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [0,0,0,0,0,0|3,0,0]=3 868 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [0,0,0,0,0,0|3,0,0]=3 869 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [0,0,0,0,0,0|3,0,0]=3 870 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [0,0,0,0,0,0|3,0,0]=3 871 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [0,0,0,0,0,0|3,0,0]=3 872 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [0,0,0,0,0,0|3,0,0]=3 873 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [0,0,0,0,0,0|3,0,0]=3 874 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [0,0,0,0,0,0|3,0,0]=3 875 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [0,0,0,0,0,0|3,0,0]=3 876 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [0,0,0,0,0,0|3,0,0]=3 877 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [0,0,0,0,0,0|3,0,0]=3 878 B9R0.45 CCCOCCCNCF 34a_100011217757_100015361967 [0,0,0,0,0,0|4,0,0]=4 879 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [0,0,0,0,0,0|3,0,0]=3 880 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [0,0,0,0,0,0|3,0,0]=3 881 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [0,0,0,0,0,0|3,0,0]=3 882 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [0,0,0,0,0,0|3,0,0]=3 883 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [0,0,0,0,0,0|3,0,0]=3 884 B9R0.45 CCCOCCNCCF 2230a_100161115042_100011217306 [0,0,0,0,0,0|4,0,0]=4 885 B9R0.45 CCCOCCNCCF 34a_100000724931_100011215938 [0,0,0,0,0,0|4,0,0]=4 886 B9R0.45 CCCOCCNCCF 34a_100161115042_100011217306 [0,0,0,0,0,0|4,0,0]=4 887 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [0,0,0,0,0,0|4,0,0]=4 888 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [0,0,0,0,0,0|4,0,0]=4 889 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [0,0,0,0,0,0|4,0,0]=4 890 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [0,0,0,0,0,0|4,0,0]=4 891 B9R0.45 CCCOCCNCOC 2230a_100161115042_100000766300 [0,0,0,0,0,0|4,0,0]=4 892 B9R0.45 CCCOCCNCSC 2230a_100161115042_100011218213 [0,0,0,0,0,0|4,0,0]=4 893 B9R0.45 CCCOCCNCSC 34a_100161115042_100011218213 [0,0,0,0,0,0|4,0,0]=4 894 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [0,0,0,0,0,0|4,0,0]=4 895 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [0,0,0,0,0,0|4,0,0]=4 896 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [0,0,0,0,0,0|4,0,0]=4 897 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [0,0,0,0,0,0|3,0,0]=3 898 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [0,0,0,0,0,0|3,0,0]=3 899 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [0,0,0,0,0,0|3,0,0]=3 900 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [0,0,0,0,0,0|4,0,0]=4 901 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [0,0,0,0,0,0|4,0,0]=4 902 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [0,0,0,0,0,0|4,0,0]=4 903 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [0,0,0,0,0,0|4,0,0]=4 904 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [0,0,0,0,0,0|4,0,0]=4 905 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [0,0,0,0,0,0|4,0,0]=4 906 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [0,0,0,0,0,0|4,0,0]=4 907 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [0,0,0,0,0,0|4,0,0]=4 908 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [0,0,0,0,0,0|4,0,0]=4 909 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [0,0,0,0,0,0|4,0,0]=4 910 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [0,0,0,0,0,0|4,0,0]=4 911 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [0,0,0,0,0,0|4,0,0]=4 912 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [0,0,0,0,0,0|4,0,0]=4 913 B9R0.45 CCCOCCOCSC 34a_100000752267_100011218213 [0,0,0,0,0,0|4,0,0]=4 914 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [0,0,0,0,0,0|3,0,0]=3 915 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [0,0,0,0,0,0|3,0,0]=3 916 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [0,0,0,0,0,0|3,0,0]=3 917 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [0,0,0,0,0,0|3,0,0]=3 918 B9R0.45 CCCOCCSCCF 62a_100011215938_100011217306 [0,0,0,0,0,0|4,0,0]=4 919 B9R0.45 CCCOCCSCCF 62a_100011217306_100011215938 [0,0,0,0,0,0|4,0,0]=4 920 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [0,0,0,0,0,0|4,0,0]=4 921 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [0,0,0,0,0,0|4,0,0]=4 922 B9R0.45 CCCOCCSCOC 62a_100000766300_100011215938 [0,0,0,0,0,0|4,0,0]=4 923 B9R0.45 CCCOCCSCOC 62a_100011215938_100000766300 [0,0,0,0,0,0|4,0,0]=4 924 B9R0.45 CCCOCCSCSC 62a_100011215938_100011218213 [0,0,0,0,0,0|4,0,0]=4 925 B9R0.45 CCCOCCSCSC 62a_100011218213_100011215938 [0,0,0,0,0,0|4,0,0]=4 926 B9R0.45 CCCSCCCCC#N 62a_100000210303_100000211819 [0,0,0,0,0,0|3,0,1]=4 927 B9R0.45 CCCSCCCCC#N 62a_100011219923_100000210303 [0,0,0,0,0,0|3,0,1]=4 928 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [0,0,0,0,0,0|3,0,1]=4 929 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [0,0,0,0,0,0|3,0,1]=4 930 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [0,0,0,0,0,0|3,0,0]=3 931 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [0,0,0,0,0,0|3,0,0]=3 932 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [0,0,0,0,0,0|3,0,0]=3 933 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [0,0,0,0,0,0|3,0,0]=3 934 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [0,0,0,0,0,0|3,0,0]=3 935 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [0,0,0,0,0,0|3,0,0]=3 936 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [0,0,0,0,0,0|3,0,0]=3 937 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [0,0,0,0,0,0|3,0,0]=3 938 B9R0.45 CCCSCCNCCF 2230a_100020603323_100011217306 [0,0,0,0,0,0|4,0,0]=4 939 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [0,0,0,0,0,0|4,0,0]=4 940 B9R0.45 CCCSCCNCOC 2230a_100020603323_100000766300 [0,0,0,0,0,0|4,0,0]=4 941 B9R0.45 CCCSCCNCSC 2230a_100020603323_100011218213 [0,0,0,0,0,0|4,0,0]=4 942 B9R0.45 CCCSCCOCCF 34a_200000230433_100011217306 [0,0,0,0,0,0|4,0,0]=4 943 B9R0.45 CCCSCCOCCF 7a_200000230433_100011217306 [0,0,0,0,0,0|4,0,0]=4 944 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [0,0,0,0,0,0|4,0,0]=4 945 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [0,0,0,0,0,0|4,0,0]=4 946 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [0,0,0,0,0,0|4,0,0]=4 947 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [0,0,0,0,0,0|4,0,0]=4 948 B9R0.45 CCCSCCOCSC 34a_200000230433_100011218213 [0,0,0,0,0,0|4,0,0]=4 949 B9R0.45 CCCSCOCCOC 62a_100000210303_100000231047 [0,0,0,0,0,0|2,0,0]=2 950 B9R0.45 CCCSCOCCOC 62a_100000231047_100000210303 [0,0,0,0,0,0|2,0,0]=2 951 B9R0.45 CCNCCCCCC#N 2230a_100015525214_100009813376 [0,0,0,0,0,0|3,0,1]=4 952 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [0,0,0,0,0,0|3,0,1]=4 953 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [0,0,0,0,0,0|3,0,0]=3 954 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [0,0,0,0,0,0|3,0,0]=3 955 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [0,0,0,0,0,0|3,0,0]=3 956 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [0,0,0,0,0,0|3,0,0]=3 957 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [0,0,0,0,0,0|3,0,0]=3 958 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [0,0,0,0,0,0|3,0,0]=3 959 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [0,0,0,0,0,0|2,0,0]=2 960 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [0,0,0,0,0,0|2,0,0]=2 961 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [0,0,0,0,0,0|2,0,0]=2 962 B9R0.45 CCNN=CCCCCO 4a_100000756455_100000031955 [0,0,0,0,0,0|4,0,0]=4 963 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [0,0,0,0,0,0|3,0,0]=3 964 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [0,0,0,0,0,0|3,0,0]=3 965 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [0,0,0,0,0,0|3,0,0]=3 966 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [0,0,0,0,0,0|3,0,0]=3 967 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [0,0,0,0,0,0|3,0,0]=3 968 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [0,0,0,0,0,0|3,0,0]=3 969 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [0,0,0,0,0,0|3,0,0]=3 970 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [0,0,0,0,0,0|3,0,0]=3 971 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [0,0,0,0,0,0|3,0,0]=3 972 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [0,0,0,0,0,0|3,0,0]=3 973 B9R0.45 CCOCCCNCCF 2230a_100000210961_100011217306 [0,0,0,0,0,0|4,0,0]=4 974 B9R0.45 CCOCCCNCCF 34a_100000210961_100011217306 [0,0,0,0,0,0|4,0,0]=4 975 B9R0.45 CCOCCCNCCF 34a_100000724931_100012232248 [0,0,0,0,0,0|4,0,0]=4 976 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [0,0,0,0,0,0|4,0,0]=4 977 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [0,0,0,0,0,0|4,0,0]=4 978 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [0,0,0,0,0,0|4,0,0]=4 979 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [0,0,0,0,0,0|4,0,0]=4 980 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [0,0,0,0,0,0|4,0,0]=4 981 B9R0.45 CCOCCCNCSC 2230a_100000210961_100011218213 [0,0,0,0,0,0|4,0,0]=4 982 B9R0.45 CCOCCCNCSC 34a_100000210961_100011218213 [0,0,0,0,0,0|4,0,0]=4 983 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [0,0,0,0,0,0|4,0,0]=4 984 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [0,0,0,0,0,0|4,0,0]=4 985 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [0,0,0,0,0,0|4,0,0]=4 986 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [0,0,0,0,0,0|4,0,0]=4 987 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [0,0,0,0,0,0|4,0,0]=4 988 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [0,0,0,0,0,0|4,0,0]=4 989 B9R0.45 CCOCCCOCSC 34a_100000757476_100011218213 [0,0,0,0,0,0|4,0,0]=4 990 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [0,0,0,0,0,0|4,0,0]=4 991 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [0,0,0,0,0,0|4,0,0]=4 992 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [0,0,0,0,0,0|4,0,0]=4 993 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [0,0,0,0,0,0|4,0,0]=4 994 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [0,0,0,0,0,0|4,0,0]=4 995 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [0,0,0,0,0,0|4,0,0]=4 996 B9R0.45 CCOCCCSCSC 62a_100011218213_100012232248 [0,0,0,0,0,0|4,0,0]=4 997 B9R0.45 CCOCCCSCSC 62a_100012232248_100011218213 [0,0,0,0,0,0|4,0,0]=4 998 B9R0.45 CCOCCNCCC#N 2230a_102516460346_100011215226 [0,0,0,0,0,0|3,0,1]=4 999 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [0,0,0,0,0,0|3,0,0]=3 1000 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [0,0,0,0,0,0|3,0,0]=3 1001 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [0,0,0,0,0,0|3,0,0]=3 1002 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [0,0,0,0,0,0|3,0,0]=3 1003 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [0,0,0,0,0,0|3,0,0]=3 1004 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [0,0,0,0,0,0|3,0,0]=3 1005 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [0,0,0,0,0,0|3,0,0]=3 1006 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [0,0,0,0,0,0|3,0,0]=3 1007 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [0,0,0,0,0,0|3,0,0]=3 1008 B9R0.45 CCOCCNCCSC 2230a_100020590264_100011215890 [0,0,0,0,0,0|3,0,0]=3 1009 B9R0.45 CCOCCNCCSC 2230a_102516460346_100000751147 [0,0,0,0,0,0|3,0,0]=3 1010 B9R0.45 CCOCCNCCSC 34a_102516460346_100000212216 [0,0,0,0,0,0|3,0,0]=3 1011 B9R0.45 CCOCCOCCC#N 7a_100000210136_100000184422 [0,0,0,0,0,0|2,0,1]=3 1012 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [0,0,0,0,0,0|2,0,0]=2 1013 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [0,0,0,0,0,0|2,0,0]=2 1014 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [0,0,0,0,0,0|2,0,0]=2 1015 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [0,0,0,0,0,0|2,0,0]=2 1016 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [0,0,0,0,0,0|2,0,0]=2 1017 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [0,0,0,0,0,0|2,0,0]=2 1018 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [0,0,0,0,0,0|2,0,0]=2 1019 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [0,0,0,0,0,0|2,0,0]=2 1020 B9R0.45 CCOCCOCCNC 2230a_100102712874_200000210301 [0,0,0,0,0,0|2,0,0]=2 1021 B9R0.45 CCOCCOCCNC 2230a_106832991635_100011211534 [0,0,0,0,0,0|2,0,0]=2 1022 B9R0.45 CCOCCOCCNC 34a_100000228057_100000210202 [0,0,0,0,0,0|2,0,0]=2 1023 B9R0.45 CCOCCOCCNC 34a_100102657272_100011211534 [0,0,0,0,0,0|2,0,0]=2 1024 B9R0.45 CCOCCOCCNC 34a_100102712874_200000210301 [0,0,0,0,0,0|2,0,0]=2 1025 B9R0.45 CCOCCOCCNC 7a_106832991635_100011211534 [0,0,0,0,0,0|2,0,0]=2 1026 B9R0.45 CCOCCOCCN[13CH3] 2230a_100102712874_200025704644 [0,0,0,0,0,0|2,0,0]=2 1027 B9R0.45 CCOCCOCCN[13CH3] 34a_100102712874_200025704644 [0,0,0,0,0,0|2,0,0]=2 1028 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [0,0,0,0,0,0|2,0,0]=2 1029 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [0,0,0,0,0,0|2,0,0]=2 1030 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [0,0,0,0,0,0|2,0,0]=2 1031 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [0,0,0,0,0,0|2,0,0]=2 1032 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [0,0,0,0,0,0|2,0,0]=2 1033 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [0,0,0,0,0,0|2,0,0]=2 1034 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [0,0,0,0,0,0|2,0,0]=2 1035 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [0,0,0,0,0,0|2,0,0]=2 1036 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [0,0,0,0,0,0|2,0,0]=2 1037 B9R0.45 CCOCCOCCON 34a_100000700252_100000210147 [0,0,0,0,0,0|3,0,0]=3 1038 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [0,0,0,0,0,0|2,0,0]=2 1039 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [0,0,0,0,0,0|2,0,0]=2 1040 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [0,0,0,0,0,0|2,0,0]=2 1041 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [0,0,0,0,0,0|2,0,0]=2 1042 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [0,0,0,0,0,0|2,0,0]=2 1043 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [0,0,0,0,0,0|2,0,0]=2 1044 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [0,0,0,0,0,0|2,0,0]=2 1045 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [0,0,0,0,0,0|2,0,0]=2 1046 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [0,0,0,0,0,0|2,0,0]=2 1047 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [0,0,0,0,0,0|2,0,0]=2 1048 B9R0.45 CCOCCSCCC#N 62a_100000210147_100011215226 [0,0,0,0,0,0|2,1,1]=4 1049 B9R0.45 CCOCCSCCC#N 62a_100011215226_100011215890 [0,0,0,0,0,0|2,1,1]=4 1050 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [0,0,0,0,0,0|2,1,0]=3 1051 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [0,0,0,0,0,0|2,1,0]=3 1052 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [0,0,0,0,0,0|2,1,0]=3 1053 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [0,0,0,0,0,0|2,1,0]=3 1054 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [0,0,0,0,0,0|2,1,0]=3 1055 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [0,0,0,0,0,0|2,1,0]=3 1056 B9R0.45 CCOCCSCCSC 62a_100000210147_100000751147 [0,0,0,0,0,0|2,1,0]=3 1057 B9R0.45 CCOCCSCCSC 62a_100000212216_100011215890 [0,0,0,0,0,0|2,1,0]=3 1058 B9R0.45 CCOCCSCOCC 62a_100000210147_100000739092 [0,0,0,0,0,0|2,1,0]=3 1059 B9R0.45 CCOCCSCOCC 62a_100000739092_100011215890 [0,0,0,0,0,0|2,1,0]=3 1060 B9R0.45 CCOCSCCCC#N 62a_100000687738_100000739092 [0,0,0,0,0,0|2,1,1]=4 1061 B9R0.45 CCOCSCCCC#N 62a_100000739092_100000687738 [0,0,0,0,0,0|2,1,1]=4 1062 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [0,0,0,0,0,0|2,1,1]=4 1063 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [0,0,0,0,0,0|2,1,1]=4 1064 B9R0.45 CCOCSCCCCF 62a_100000729493_100000739092 [0,0,0,0,0,0|2,1,0]=3 1065 B9R0.45 CCOCSCCCCF 62a_100000739092_100000729493 [0,0,0,0,0,0|2,1,0]=3 1066 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [0,0,0,0,0,0|2,1,0]=3 1067 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [0,0,0,0,0,0|2,1,0]=3 1068 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [0,0,0,0,0,0|2,1,0]=3 1069 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [0,0,0,0,0,0|2,1,0]=3 1070 B9R0.45 CCOCSCCSCC 62a_100000739092_100000757381 [0,0,0,0,0,0|2,1,0]=3 1071 B9R0.45 CCOCSCCSCC 62a_100000757381_100000739092 [0,0,0,0,0,0|2,1,0]=3 1072 B9R0.45 CCSCCCCCC#N 62a_100000210202_100009813376 [0,0,0,0,0,0|3,0,1]=4 1073 B9R0.45 CCSCCCCCC#N 62a_100009813376_100000210202 [0,0,0,0,0,0|3,0,1]=4 1074 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [0,0,0,0,0,0|3,0,1]=4 1075 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [0,0,0,0,0,0|3,0,1]=4 1076 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [0,0,0,0,0,0|3,0,0]=3 1077 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [0,0,0,0,0,0|3,0,0]=3 1078 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [0,0,0,0,0,0|3,0,0]=3 1079 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [0,0,0,0,0,0|3,0,0]=3 1080 B9R0.45 CCSCCCOCCF 34a_100011216438_100011217306 [0,0,0,0,0,0|4,0,0]=4 1081 B9R0.45 CCSCCCOCCF 7a_100011216438_100011217306 [0,0,0,0,0,0|4,0,0]=4 1082 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [0,0,0,0,0,0|4,0,0]=4 1083 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [0,0,0,0,0,0|4,0,0]=4 1084 B9R0.45 CCSCCCOCSC 34a_100011216438_100011218213 [0,0,0,0,0,0|4,0,0]=4 1085 B9R0.45 CCSCCNCCC#N 2230a_100000106463_100011215226 [0,0,0,0,0,0|3,0,1]=4 1086 B9R0.45 CCSCCNCCCF 2230a_100000106463_100011934791 [0,0,0,0,0,0|3,0,0]=3 1087 B9R0.45 CCSCCNCCCF 2230a_100015189416_100000757381 [0,0,0,0,0,0|3,0,0]=3 1088 B9R0.45 CCSCCNCCCF 34a_100015189416_100000757381 [0,0,0,0,0,0|3,0,0]=3 1089 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [0,0,0,0,0,0|3,0,0]=3 1090 B9R0.45 CCSCCNCCOC 2230a_100000106463_100011201679 [0,0,0,0,0,0|3,0,0]=3 1091 B9R0.45 CCSCCNCCOC 2230a_100000209980_100000757381 [0,0,0,0,0,0|3,0,0]=3 1092 B9R0.45 CCSCCNCCSC 2230a_100000106463_100000751147 [0,0,0,0,0,0|3,0,0]=3 1093 B9R0.45 CCSCCNCCSC 2230a_100020590264_100000757381 [0,0,0,0,0,0|3,0,0]=3 1094 B9R0.45 CCSCCOCCC#N 7a_100000212035_100000184422 [0,0,0,0,0,0|2,0,1]=3 1095 B9R0.45 CCSCCOCCCBr 34a_100011217188_100000757381 [0,0,0,0,0,0|2,0,0]=2 1096 B9R0.45 CCSCCOCCCCl 34a_100000230001_100000757381 [0,0,0,0,0,0|2,0,0]=2 1097 B9R0.45 CCSCCOCCCF 34a_100000212035_100011934791 [0,0,0,0,0,0|2,0,0]=2 1098 B9R0.45 CCSCCOCCCF 34a_100000759539_100000757381 [0,0,0,0,0,0|2,0,0]=2 1099 B9R0.45 CCSCCOCCCF 7a_100000212035_100011934791 [0,0,0,0,0,0|2,0,0]=2 1100 B9R0.45 CCSCCOCCCN 34a_100000182051_100000757381 [0,0,0,0,0,0|2,0,0]=2 1101 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [0,0,0,0,0,0|2,0,0]=2 1102 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [0,0,0,0,0,0|2,0,0]=2 1103 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [0,0,0,0,0,0|2,0,0]=2 1104 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [0,0,0,0,0,0|2,0,0]=2 1105 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [0,0,0,0,0,0|2,0,0]=2 1106 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [0,0,0,0,0,0|2,0,0]=2 1107 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [0,0,0,0,0,0|2,0,0]=2 1108 B9R0.45 CCSCCOCCON 34a_100000700252_100000757381 [0,0,0,0,0,0|3,0,0]=3 1109 B9R0.45 CCSCCOCCSC 34a_100000212035_100000212216 [0,0,0,0,0,0|2,0,0]=2 1110 B9R0.45 CCSCCOCCSC 34a_100000230434_100000757381 [0,0,0,0,0,0|2,0,0]=2 1111 B9R0.45 CCSCCOCCSC 7a_100000212035_100000212216 [0,0,0,0,0,0|2,0,0]=2 1112 B9R0.45 CCSCCOCCSC 7a_100000230434_100000757381 [0,0,0,0,0,0|2,0,0]=2 1113 B9R0.45 CCSCCSCCC#N 62a_100000757381_100011215226 [0,0,0,0,0,0|2,1,1]=4 1114 B9R0.45 CCSCCSCCC#N 62a_100011215226_100000757381 [0,0,0,0,0,0|2,1,1]=4 1115 B9R0.45 CCSCCSCCCF 62a_100000757381_100011934791 [0,0,0,0,0,0|2,1,0]=3 1116 B9R0.45 CCSCCSCCCF 62a_100011934791_100000757381 [0,0,0,0,0,0|2,1,0]=3 1117 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [0,0,0,0,0,0|2,1,0]=3 1118 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [0,0,0,0,0,0|2,1,0]=3 1119 B9R0.45 CCSCCSCCOC 62a_100000233755_100000757381 [0,0,0,0,0,0|2,1,0]=3 1120 B9R0.45 CCSCCSCCOC 62a_100000757381_100000233755 [0,0,0,0,0,0|2,1,0]=3 1121 B9R0.45 CCSCCSCCSC 62a_100000212216_100000757381 [0,0,0,0,0,0|2,1,0]=3 1122 B9R0.45 CCSCCSCCSC 62a_100000757381_100000751147 [0,0,0,0,0,0|2,1,0]=3 1123 B9R0.45 CNCCCCCCC#N 2230a_106832991635_100009813337 [0,0,0,0,0,0|3,0,1]=4 1124 B9R0.45 CNCCCCCCC#N 7a_106832991635_100009813337 [0,0,0,0,0,0|3,0,1]=4 1125 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [0,0,0,0,0,0|3,0,0]=3 1126 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [0,0,0,0,0,0|3,0,0]=3 1127 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [0,0,0,0,0,0|3,0,0]=3 1128 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [0,0,0,0,0,0|3,0,0]=3 1129 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [0,0,0,0,0,0|3,0,0]=3 1130 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [0,0,0,0,0,0|3,0,0]=3 1131 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [0,0,0,0,0,0|3,0,0]=3 1132 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [0,0,0,0,0,0|3,0,0]=3 1133 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [0,0,0,0,0,0|4,0,0]=4 1134 B9R0.45 CNCCCOCCCF 34a_100000213112_100011934791 [0,0,0,0,0,0|2,0,0]=2 1135 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [0,0,0,0,0,0|2,0,0]=2 1136 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [0,0,0,0,0,0|2,0,0]=2 1137 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [0,0,0,0,0,0|2,0,0]=2 1138 B9R0.45 CNCCCOCCOC 2230a_100000206027_200000210301 [0,0,0,0,0,0|2,0,0]=2 1139 B9R0.45 CNCCCOCCOC 2230a_106832991635_100011216529 [0,0,0,0,0,0|2,0,0]=2 1140 B9R0.45 CNCCCOCCOC 34a_100000206027_200000210301 [0,0,0,0,0,0|2,0,0]=2 1141 B9R0.45 CNCCCOCCOC 34a_100000213112_100011201679 [0,0,0,0,0,0|2,0,0]=2 1142 B9R0.45 CNCCCOCCOC 34a_100102657272_100011216529 [0,0,0,0,0,0|2,0,0]=2 1143 B9R0.45 CNCCCOCCOC 7a_106832991635_100011216529 [0,0,0,0,0,0|2,0,0]=2 1144 B9R0.45 CNCCCOCCSC 34a_100000213112_100000212216 [0,0,0,0,0,0|2,0,0]=2 1145 B9R0.45 CNCCOCCN=[N+]=[N-] 2230a_100102953956_200000210301 [0,0,0,0,0,0|4,0,0]=4 1146 B9R0.45 CNCCOCCOCF 34a_100000228057_100015361967 [0,0,0,0,0,0|3,0,0]=3 1147 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [0,0,0,0,0,0|3,0,0]=3 1148 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [0,0,0,0,0,0|3,0,0]=3 1149 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [0,0,0,0,0,0|3,0,0]=3 1150 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [0,0,0,0,0,0|3,0,0]=3 1151 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [0,0,0,0,0,0|3,0,0]=3 1152 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [0,0,0,0,0,0|3,0,0]=3 1153 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [0,0,0,0,0,0|3,0,0]=3 1154 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [0,0,0,0,0,0|3,0,0]=3 1155 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [0,0,0,0,0,0|3,0,0]=3 1156 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [0,0,0,0,0,0|3,0,0]=3 1157 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [0,0,0,0,0,0|3,0,0]=3 1158 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [0,0,0,0,0,0|3,0,0]=3 1159 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [0,0,0,0,0,0|3,0,0]=3 1160 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [0,0,0,0,0,0|4,0,0]=4 1161 B9R0.45 COCCCCNCCF 34a_100000724931_100000755781 [0,0,0,0,0,0|4,0,0]=4 1162 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [0,0,0,0,0,0|4,0,0]=4 1163 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [0,0,0,0,0,0|4,0,0]=4 1164 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [0,0,0,0,0,0|4,0,0]=4 1165 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [0,0,0,0,0,0|4,0,0]=4 1166 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [0,0,0,0,0,0|4,0,0]=4 1167 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [0,0,0,0,0,0|4,0,0]=4 1168 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [0,0,0,0,0,0|4,0,0]=4 1169 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [0,0,0,0,0,0|4,0,0]=4 1170 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [0,0,0,0,0,0|4,0,0]=4 1171 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [0,0,0,0,0,0|4,0,0]=4 1172 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [0,0,0,0,0,0|4,0,0]=4 1173 B9R0.45 COCCCCSCOC 62a_100000730899_100000766300 [0,0,0,0,0,0|4,0,0]=4 1174 B9R0.45 COCCCCSCOC 62a_100000766300_100000730899 [0,0,0,0,0,0|4,0,0]=4 1175 B9R0.45 COCCCCSCSC 62a_100000730899_100011218213 [0,0,0,0,0,0|4,0,0]=4 1176 B9R0.45 COCCCCSCSC 62a_100011218213_100000730899 [0,0,0,0,0,0|4,0,0]=4 1177 B9R0.45 COCCCNCCCF 2230a_100015189416_100000740836 [0,0,0,0,0,0|3,0,0]=3 1178 B9R0.45 COCCCNCCCF 34a_100015189416_100000740836 [0,0,0,0,0,0|3,0,0]=3 1179 B9R0.45 COCCCNCCCF 34a_100150723488_100011934791 [0,0,0,0,0,0|3,0,0]=3 1180 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [0,0,0,0,0,0|3,0,0]=3 1181 B9R0.45 COCCCNCCOC 2230a_100000209980_100000740836 [0,0,0,0,0,0|3,0,0]=3 1182 B9R0.45 COCCCNCCOC 34a_100150723488_100011201679 [0,0,0,0,0,0|3,0,0]=3 1183 B9R0.45 COCCCNCCSC 2230a_100020590264_100000740836 [0,0,0,0,0,0|3,0,0]=3 1184 B9R0.45 COCCCNCCSC 34a_100150723488_100000212216 [0,0,0,0,0,0|3,0,0]=3 1185 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [0,0,0,0,0,0|2,0,0]=2 1186 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [0,0,0,0,0,0|2,0,0]=2 1187 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [0,0,0,0,0,0|2,0,0]=2 1188 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [0,0,0,0,0,0|2,0,0]=2 1189 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [0,0,0,0,0,0|2,0,0]=2 1190 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [0,0,0,0,0,0|2,0,0]=2 1191 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [0,0,0,0,0,0|2,0,0]=2 1192 B9R0.45 COCCCOCCOC 34a_100000210237_100000740836 [0,0,0,0,0,0|2,0,0]=2 1193 B9R0.45 COCCCOCCOC 34a_100000740835_100011201679 [0,0,0,0,0,0|2,0,0]=2 1194 B9R0.45 COCCCOCCOC 34a_100138415774_100011216529 [0,0,0,0,0,0|2,0,0]=2 1195 B9R0.45 COCCCOCCON 34a_100000700252_100000740836 [0,0,0,0,0,0|3,0,0]=3 1196 B9R0.45 COCCCOCCSC 34a_100000230434_100000740836 [0,0,0,0,0,0|2,0,0]=2 1197 B9R0.45 COCCCOCCSC 34a_100000740835_100000212216 [0,0,0,0,0,0|2,0,0]=2 1198 B9R0.45 COCCCOCCSC 7a_100000230434_100000740836 [0,0,0,0,0,0|2,0,0]=2 1199 B9R0.45 COCCCSCCC#N 62a_100000709357_100011215226 [0,0,0,0,0,0|2,1,1]=4 1200 B9R0.45 COCCCSCCC#N 62a_100011215226_100000709357 [0,0,0,0,0,0|2,1,1]=4 1201 B9R0.45 COCCCSCCCF 62a_100000709357_100011934791 [0,0,0,0,0,0|2,1,0]=3 1202 B9R0.45 COCCCSCCCF 62a_100011934791_100000709357 [0,0,0,0,0,0|2,1,0]=3 1203 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [0,0,0,0,0,0|2,1,0]=3 1204 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [0,0,0,0,0,0|2,1,0]=3 1205 B9R0.45 COCCCSCCOC 62a_100000233755_100000709357 [0,0,0,0,0,0|2,1,0]=3 1206 B9R0.45 COCCCSCCOC 62a_100000709357_100000233755 [0,0,0,0,0,0|2,1,0]=3 1207 B9R0.45 COCCCSCCSC 62a_100000212216_100000709357 [0,0,0,0,0,0|2,1,0]=3 1208 B9R0.45 COCCCSCCSC 62a_100000709357_100000751147 [0,0,0,0,0,0|2,1,0]=3 1209 B9R0.45 COCCNCCCC#N 2230a_100000209980_100000687738 [0,0,0,0,0,0|3,0,1]=4 1210 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [0,0,0,0,0,0|3,0,1]=4 1211 B9R0.45 COCCNCCCCF 2230a_100000209980_100000729493 [0,0,0,0,0,0|3,0,0]=3 1212 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [0,0,0,0,0,0|3,0,0]=3 1213 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [0,0,0,0,0,0|3,0,0]=3 1214 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [0,0,0,0,0,0|3,0,0]=3 1215 B9R0.45 COCCNCCCSC 2230a_100000749238_100011201679 [0,0,0,0,0,0|3,0,0]=3 1216 B9R0.45 COCCOCC#CCCl 34a_200000047223_100011201679 [0,0,0,0,0,0|2,0,2]=4 1217 B9R0.45 COCCOCC#CCO 34a_100000210237_200000047223 [0,0,0,0,0,0|2,0,2]=4 1218 B9R0.45 COCCOCCCCBr 34a_100011216708_100011201679 [0,0,0,0,0,0|2,0,0]=2 1219 B9R0.45 COCCOCCCCCl 34a_100000210776_100011201679 [0,0,0,0,0,0|2,0,0]=2 1220 B9R0.45 COCCOCCCCCl 7a_100000210776_100000233755 [0,0,0,0,0,0|2,0,0]=2 1221 B9R0.45 COCCOCCCCF 34a_100000210237_100000729493 [0,0,0,0,0,0|2,0,0]=2 1222 B9R0.45 COCCOCCCCF 34a_100011995726_100011201679 [0,0,0,0,0,0|2,0,0]=2 1223 B9R0.45 COCCOCCCCF 7a_100011995726_100000233755 [0,0,0,0,0,0|2,0,0]=2 1224 B9R0.45 COCCOCCCCI 34a_200012148704_100011201679 [0,0,0,0,0,0|2,0,0]=2 1225 B9R0.45 COCCOCCCCN 34a_100000750430_100011201679 [0,0,0,0,0,0|2,0,0]=2 1226 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [0,0,0,0,0,0|2,0,0]=2 1227 B9R0.45 COCCOCCCN[13CH3] 2230a_100000206027_200025704644 [0,0,0,0,0,0|2,0,0]=2 1228 B9R0.45 COCCOCCCN[13CH3] 34a_100000206027_200025704644 [0,0,0,0,0,0|2,0,0]=2 1229 B9R0.45 COCCOCCCSC 34a_100000690336_100011201679 [0,0,0,0,0,0|2,0,0]=2 1230 B9R0.45 COCCOCCCSC 62a_100011216529_200000210301 [0,0,0,0,0,0|2,0,0]=2 1231 B9R0.45 COCCOCCCSC 62a_200000210301_100011216529 [0,0,0,0,0,0|2,0,0]=2 1232 B9R0.45 COCCOCCCSC 7a_100000690336_100000233755 [0,0,0,0,0,0|2,0,0]=2 1233 B9R0.45 COCCOCCCS[13CH3] 62a_100011216529_200025704644 [0,0,0,0,0,0|2,0,0]=2 1234 B9R0.45 COCCOCCCS[13CH3] 62a_200025704644_100011216529 [0,0,0,0,0,0|2,0,0]=2 1235 B9R0.45 COCCOCCNCF 34a_100000745349_100015361967 [0,0,0,0,0,0|3,0,0]=3 1236 B9R0.45 COCCOCCOCF 34a_100011215163_100015361967 [0,0,0,0,0,0|3,0,0]=3 1237 B9R0.45 COCCOCCOCF 7a_100011215163_100015361967 [0,0,0,0,0,0|3,0,0]=3 1238 B9R0.45 COCCOCCSCF 62a_100000695917_100015361967 [0,0,0,0,0,0|3,0,0]=3 1239 B9R0.45 COCCOCCSCF 62a_100015361967_100000695917 [0,0,0,0,0,0|3,0,0]=3 1240 B9R0.45 COCCOCNCCO 2230a_100016997473_100000231047 [0,0,0,0,0,0|3,0,0]=3 1241 B9R0.45 COCCOCSCC#N 62a_100000231047_100011215382 [0,0,0,0,0,0|3,0,1]=4 1242 B9R0.45 COCCOCSCC#N 62a_100011215382_100000231047 [0,0,0,0,0,0|3,0,1]=4 1243 B9R0.45 COCCOCSCC=O 62a_100000231047_200015260668 [0,0,0,0,0,0|3,0,1]=4 1244 B9R0.45 COCCOCSCC=O 62a_200015260668_100000231047 [0,0,0,0,0,0|3,0,1]=4 1245 B9R0.45 COCCOCSCCF 62a_100000231047_100011217306 [0,0,0,0,0,0|3,0,0]=3 1246 B9R0.45 COCCOCSCCF 62a_100011217306_100000231047 [0,0,0,0,0,0|3,0,0]=3 1247 B9R0.45 COCCOCSCCO 62a_100000211926_100000231047 [0,0,0,0,0,0|3,0,0]=3 1248 B9R0.45 COCCOCSCCO 62a_100000231047_100000211926 [0,0,0,0,0,0|3,0,0]=3 1249 B9R0.45 COCCOCSCOC 62a_100000231047_100000766300 [0,0,0,0,0,0|3,0,0]=3 1250 B9R0.45 COCCOCSCOC 62a_100000766300_100000231047 [0,0,0,0,0,0|3,0,0]=3 1251 B9R0.45 COCCOCSCSC 62a_100000231047_100011218213 [0,0,0,0,0,0|3,0,0]=3 1252 B9R0.45 COCCOCSCSC 62a_100011218213_100000231047 [0,0,0,0,0,0|3,0,0]=3 1253 B9R0.45 COCCSCCCC#N 62a_100000233755_100000687738 [0,0,0,0,0,0|2,1,1]=4 1254 B9R0.45 COCCSCCCC#N 62a_100000687738_100000233755 [0,0,0,0,0,0|2,1,1]=4 1255 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [0,0,0,0,0,0|2,1,1]=4 1256 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [0,0,0,0,0,0|2,1,1]=4 1257 B9R0.45 COCCSCCCCF 62a_100000233755_100000729493 [0,0,0,0,0,0|2,1,0]=3 1258 B9R0.45 COCCSCCCCF 62a_100000729493_100000233755 [0,0,0,0,0,0|2,1,0]=3 1259 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [0,0,0,0,0,0|2,1,0]=3 1260 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [0,0,0,0,0,0|2,1,0]=3 1261 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [0,0,0,0,0,0|4,0,0]=4 1262 B9R0.45 COCSCCCCCF 62a_100000729378_100000766300 [0,0,0,0,0,0|4,0,0]=4 1263 B9R0.45 COCSCCCCCF 62a_100000766300_100000729378 [0,0,0,0,0,0|4,0,0]=4 1264 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [0,0,0,0,0,0|4,0,0]=4 1265 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [0,0,0,0,0,0|4,0,0]=4 1266 B9R0.45 CSCCCCCCC#N 62a_100009813337_200000210301 [0,0,0,0,0,0|3,0,1]=4 1267 B9R0.45 CSCCCCCCC#N 62a_200000210301_100009813337 [0,0,0,0,0,0|3,0,1]=4 1268 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [0,0,0,0,0,0|3,0,0]=3 1269 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [0,0,0,0,0,0|3,0,0]=3 1270 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [0,0,0,0,0,0|4,0,0]=4 1271 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [0,0,0,0,0,0|4,0,0]=4 1272 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [0,0,0,0,0,0|4,0,0]=4 1273 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [0,0,0,0,0,0|4,0,0]=4 1274 B9R0.45 CSCCCCOCSC 34a_100011217163_100011218213 [0,0,0,0,0,0|4,0,0]=4 1275 B9R0.45 CSCCCNCCC#N 2230a_100000749238_100011215226 [0,0,0,0,0,0|3,0,1]=4 1276 B9R0.45 CSCCCNCCCF 2230a_100000749238_100011934791 [0,0,0,0,0,0|3,0,0]=3 1277 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [0,0,0,0,0,0|3,0,0]=3 1278 B9R0.45 CSCCCNCCSC 2230a_100000749238_100000751147 [0,0,0,0,0,0|3,0,0]=3 1279 B9R0.45 CSCCCOCCC#N 7a_100000690336_100000184422 [0,0,0,0,0,0|2,0,1]=3 1280 B9R0.45 CSCCCOCCCF 34a_100000690336_100011934791 [0,0,0,0,0,0|2,0,0]=2 1281 B9R0.45 CSCCCOCCCF 7a_100000690336_100011934791 [0,0,0,0,0,0|2,0,0]=2 1282 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [0,0,0,0,0,0|2,0,0]=2 1283 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [0,0,0,0,0,0|2,0,0]=2 1284 B9R0.45 CSCCCOCCSC 34a_100000690336_100000212216 [0,0,0,0,0,0|2,0,0]=2 1285 B9R0.45 CSCCCOCCSC 7a_100000690336_100000212216 [0,0,0,0,0,0|2,0,0]=2 1286 B9R0.45 CSCCNCCCC#N 2230a_100020590264_100000687738 [0,0,0,0,0,0|3,0,1]=4 1287 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [0,0,0,0,0,0|3,0,1]=4 1288 B9R0.45 CSCCNCCCCF 2230a_100020590264_100000729493 [0,0,0,0,0,0|3,0,0]=3 1289 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [0,0,0,0,0,0|3,0,0]=3 1290 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [0,0,0,0,0,0|3,0,0]=3 1291 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [0,0,0,0,0,0|3,0,0]=3 1292 B9R0.45 CSCCOCC#CCCl 34a_200000047223_100000212216 [0,0,0,0,0,0|2,0,2]=4 1293 B9R0.45 CSCCOCC#CCO 34a_100000230434_200000047223 [0,0,0,0,0,0|2,0,2]=4 1294 B9R0.45 CSCCOCC#CCO 7a_100000230434_200000047223 [0,0,0,0,0,0|2,0,2]=4 1295 B9R0.45 CSCCOCCCC#N 7a_100000230434_100000687738 [0,0,0,0,0,0|2,0,1]=3 1296 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [0,0,0,0,0,0|2,0,1]=3 1297 B9R0.45 CSCCOCCCCBr 34a_100011216708_100000212216 [0,0,0,0,0,0|2,0,0]=2 1298 B9R0.45 CSCCOCCCCCl 34a_100000210776_100000212216 [0,0,0,0,0,0|2,0,0]=2 1299 B9R0.45 CSCCOCCCCCl 7a_100000210776_100000212216 [0,0,0,0,0,0|2,0,0]=2 1300 B9R0.45 CSCCOCCCCF 34a_100000230434_100000729493 [0,0,0,0,0,0|2,0,0]=2 1301 B9R0.45 CSCCOCCCCF 34a_100011995726_100000212216 [0,0,0,0,0,0|2,0,0]=2 1302 B9R0.45 CSCCOCCCCF 7a_100000230434_100000729493 [0,0,0,0,0,0|2,0,0]=2 1303 B9R0.45 CSCCOCCCCF 7a_100011995726_100000212216 [0,0,0,0,0,0|2,0,0]=2 1304 B9R0.45 CSCCOCCCCI 34a_200012148704_100000212216 [0,0,0,0,0,0|2,0,0]=2 1305 B9R0.45 CSCCOCCCCN 34a_100000750430_100000212216 [0,0,0,0,0,0|2,0,0]=2 1306 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [0,0,0,0,0,0|2,0,0]=2 1307 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [0,0,0,0,0,0|2,0,0]=2 1308 B9R0.45 CSCCSCCCC#N 62a_100000212216_100000687738 [0,0,0,0,0,0|2,1,1]=4 1309 B9R0.45 CSCCSCCCC#N 62a_100000687738_100000751147 [0,0,0,0,0,0|2,1,1]=4 1310 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [0,0,0,0,0,0|2,1,1]=4 1311 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [0,0,0,0,0,0|2,1,1]=4 1312 B9R0.45 CSCCSCCCCF 62a_100000212216_100000729493 [0,0,0,0,0,0|2,1,0]=3 1313 B9R0.45 CSCCSCCCCF 62a_100000729493_100000751147 [0,0,0,0,0,0|2,1,0]=3 1314 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [0,0,0,0,0,0|2,1,0]=3 1315 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [0,0,0,0,0,0|2,1,0]=3 1316 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [0,0,0,0,0,0|4,0,0]=4 1317 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [0,0,0,0,0,0|4,0,0]=4 1318 B9R0.45 CSCOCCCCCBr 34a_100000746331_100011218213 [0,0,0,0,0,0|4,0,0]=4 1319 B9R0.45 CSCOCCCCCCl 34a_100000746330_100011218213 [0,0,0,0,0,0|4,0,0]=4 1320 B9R0.45 CSCOCCCCCI 34a_200012148887_100011218213 [0,0,0,0,0,0|4,0,0]=4 1321 B9R0.45 CSCOCCCCCN 34a_100000762737_100011218213 [0,0,0,0,0,0|4,0,0]=4 1322 B9R0.45 CSCSCCCCCF 62a_100000729378_100011218213 [0,0,0,0,0,0|4,0,0]=4 1323 B9R0.45 CSCSCCCCCF 62a_100011218213_100000729378 [0,0,0,0,0,0|4,0,0]=4 1324 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [0,0,0,0,0,0|4,0,0]=4 1325 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [0,0,0,0,0,0|4,0,0]=4 1326 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [0,0,0,0,0,0|4,0,0]=4 1327 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [0,0,0,0,0,0|4,0,0]=4 1328 B9R0.45 FCCCCCCSCF 62a_100015361967_100015922095 [0,0,0,0,0,0|4,0,0]=4 1329 B9R0.45 FCCCCCCSCF 62a_100015922095_100015361967 [0,0,0,0,0,0|4,0,0]=4 1330 B9R0.45 FCCCCCNCCF 34a_100000724931_100000729378 [0,0,0,0,0,0|4,0,0]=4 1331 B9R0.45 FCCCCCOCCBr 34a_100000211926_100000729378 [0,0,0,0,0,0|4,0,0]=4 1332 B9R0.45 FCCCCCSCCF 62a_100000729378_100011217306 [0,0,0,0,0,0|4,0,0]=4 1333 B9R0.45 FCCCCCSCCF 62a_100011217306_100000729378 [0,0,0,0,0,0|4,0,0]=4 1334 B9R0.45 FCCCCNCCCF 2230a_100015189416_100000729493 [0,0,0,0,0,0|3,0,0]=3 1335 B9R0.45 FCCCCNCCCF 34a_100015189416_100000729493 [0,0,0,0,0,0|3,0,0]=3 1336 B9R0.45 FCCCCOCCCBr 34a_100011217188_100000729493 [0,0,0,0,0,0|2,0,0]=2 1337 B9R0.45 FCCCCOCCCCl 34a_100000230001_100000729493 [0,0,0,0,0,0|2,0,0]=2 1338 B9R0.45 FCCCCOCCCF 34a_100000759539_100000729493 [0,0,0,0,0,0|2,0,0]=2 1339 B9R0.45 FCCCCOCCCF 34a_100011995726_100011934791 [0,0,0,0,0,0|2,0,0]=2 1340 B9R0.45 FCCCCOCCCF 7a_100011995726_100011934791 [0,0,0,0,0,0|2,0,0]=2 1341 B9R0.45 FCCCCSCCCF 62a_100000729493_100011934791 [0,0,0,0,0,0|2,1,0]=3 1342 B9R0.45 FCCCCSCCCF 62a_100011934791_100000729493 [0,0,0,0,0,0|2,1,0]=3 1343 B9R0.45 FCCCOCC#CCCl 34a_200000047223_100011934791 [0,0,0,0,0,0|2,0,2]=4 1344 B9R0.45 FCCCOCCCCBr 34a_100011216708_100011934791 [0,0,0,0,0,0|2,0,0]=2 1345 B9R0.45 FCCCOCCCCCl 34a_100000210776_100011934791 [0,0,0,0,0,0|2,0,0]=2 1346 B9R0.45 FCCCOCCCCCl 7a_100000210776_100011934791 [0,0,0,0,0,0|2,0,0]=2 1347 B9R0.45 FCCCOCCCCI 34a_200012148704_100011934791 [0,0,0,0,0,0|2,0,0]=2 1348 B9R0.45 FCCOCCCCCBr 34a_100000746331_100011217306 [0,0,0,0,0,0|4,0,0]=4 1349 B9R0.45 FCCOCCCCCBr 7a_100000746331_100011217306 [0,0,0,0,0,0|4,0,0]=4 1350 B9R0.45 FCCOCCCCCCl 34a_100000746330_100011217306 [0,0,0,0,0,0|4,0,0]=4 1351 B9R0.45 FCCOCCCCCCl 7a_100000746330_100011217306 [0,0,0,0,0,0|4,0,0]=4 1352 B9R0.45 FCCOCCCCCI 34a_200012148887_100011217306 [0,0,0,0,0,0|4,0,0]=4 1353 B9R0.45 FCCOCCCCCI 7a_200012148887_100011217306 [0,0,0,0,0,0|4,0,0]=4 1354 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [0,0,0,0,0,0|4,0,0]=4 1355 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [0,0,0,0,0,0|4,0,0]=4 1356 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [0,0,0,0,0,0|4,0,0]=4 1357 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [0,0,0,0,0,0|4,0,0]=4 1358 B9R0.45 N#CCCCNCCCF 2230a_100015189416_100000687738 [0,0,0,0,0,0|3,0,1]=4 1359 B9R0.45 N#CCCCSCCCF 62a_100000687738_100011934791 [0,0,0,0,0,0|2,1,1]=4 1360 B9R0.45 N#CCCCSCCCF 62a_100011934791_100000687738 [0,0,0,0,0,0|2,1,1]=4 1361 B9R0.45 N#CCCCSCCCO 62a_100000687738_100011215043 [0,0,0,0,0,0|2,1,1]=4 1362 B9R0.45 N#CCCCSCCCO 62a_100011215043_100000687738 [0,0,0,0,0,0|2,1,1]=4 1363 B9R0.45 N#CCCNCCCCO 2230a_100000750430_100011215226 [0,0,0,0,0,0|3,0,1]=4 1364 B9R0.45 N#CCCOCCCCCl 7a_100000210776_100000184422 [0,0,0,0,0,0|2,0,1]=3 1365 B9R0.45 N#CCCOCCCCF 7a_100011995726_100000184422 [0,0,0,0,0,0|2,0,1]=3 1366 B9R0.45 N#CCCSCCCCF 62a_100000729493_100011215226 [0,0,0,0,0,0|2,1,1]=4 1367 B9R0.45 N#CCCSCCCCF 62a_100011215226_100000729493 [0,0,0,0,0,0|2,1,1]=4 1368 B9R0.45 N#CCCSCCCCO 62a_100000210776_100011215226 [0,0,0,0,0,0|2,1,1]=4 1369 B9R0.45 N#CCCSCCCCO 62a_100011215226_100000210776 [0,0,0,0,0,0|2,1,1]=4 1370 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [0,0,0,0,0,0|4,0,0]=4 1371 B9R0.45 NCCCCCOCCF 34a_100000762737_100011217306 [0,0,0,0,0,0|4,0,0]=4 1372 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [0,0,0,0,0,0|4,0,0]=4 1373 B9R0.45 NCCCCOCCCF 34a_100000750430_100011934791 [0,0,0,0,0,0|2,0,0]=2 1374 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [0,0,0,0,0,0|2,0,0]=2 1375 B9R0.45 NCCCOCC#CCO 34a_100000182051_200000047223 [0,0,0,0,0,0|2,0,2]=4 1376 B9R0.45 NCCCOCCCCF 34a_100000182051_100000729493 [0,0,0,0,0,0|2,0,0]=2 1377 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [0,0,0,0,0,0|2,0,0]=2 1378 B9R0.45 NCCOCCCCCF 34a_100000210304_100000729378 [0,0,0,0,0,0|4,0,0]=4 1379 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [0,0,0,0,0,0|4,0,0]=4 1380 B9R0.45 NOCCOCCCCF 34a_100000700252_100000729493 [0,0,0,0,0,0|3,0,0]=3 1381 B9R0.45 NOCCOCCCCO 34a_100000700252_100011216708 [0,0,0,0,0,0|3,0,0]=3 1382 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [0,0,0,0,0,0|3,0,1]=4 1383 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [0,0,0,0,0,0|2,1,1]=4 1384 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [0,0,0,0,0,0|2,1,1]=4 1385 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [0,0,0,0,0,0|2,1,1]=4 1386 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [0,0,0,0,0,0|2,1,1]=4 1387 B9R0.45 OCC#CCOCCCBr 34a_100011217188_200000047223 [0,0,0,0,0,0|2,0,2]=4 1388 B9R0.45 OCC#CCOCCCCl 34a_100000230001_200000047223 [0,0,0,0,0,0|2,0,2]=4 1389 B9R0.45 OCC#CCOCCCF 34a_100000759539_200000047223 [0,0,0,0,0,0|2,0,2]=4 1390 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [0,0,0,0,0,0|4,0,0]=4 1391 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [0,0,0,0,0,0|4,0,0]=4 1392 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [0,0,0,0,0,0|4,0,0]=4 1393 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [0,0,0,0,0,0|4,0,0]=4 1394 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [0,0,0,0,0,0|4,0,0]=4 1395 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [0,0,0,0,0,0|4,0,0]=4 1396 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [0,0,0,0,0,0|4,0,0]=4 1397 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [0,0,0,0,0,0|4,0,0]=4 1398 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [0,0,0,0,0,0|4,0,0]=4 1399 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [0,0,0,0,0,0|4,0,0]=4 1400 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [0,0,0,0,0,0|4,0,0]=4 1401 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [0,0,0,0,0,0|4,0,0]=4 1402 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [0,0,0,0,0,0|4,0,0]=4 1403 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [0,0,0,0,0,0|4,0,0]=4 1404 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [0,0,0,0,0,0|4,0,0]=4 1405 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [0,0,0,0,0,0|3,0,0]=3 1406 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [0,0,0,0,0,0|3,0,0]=3 1407 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [0,0,0,0,0,0|3,0,0]=3 1408 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [0,0,0,0,0,0|3,0,0]=3 1409 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [0,0,0,0,0,0|3,0,0]=3 1410 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [0,0,0,0,0,0|3,0,0]=3 1411 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [0,0,0,0,0,0|2,0,0]=2 1412 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [0,0,0,0,0,0|2,0,0]=2 1413 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [0,0,0,0,0,0|2,0,0]=2 1414 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [0,0,0,0,0,0|2,1,0]=3 1415 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [0,0,0,0,0,0|2,1,0]=3 1416 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [0,0,0,0,0,0|2,1,0]=3 1417 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [0,0,0,0,0,0|2,1,0]=3 1418 B9R0.45 OCCCOCC#CCCl 34a_200000047223_100000230001 [0,0,0,0,0,0|2,0,2]=4 1419 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [0,0,0,0,0,0|2,0,0]=2 1420 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [0,0,0,0,0,0|2,0,0]=2 1421 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [0,0,0,0,0,0|2,0,0]=2 1422 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [0,0,0,0,0,0|2,0,0]=2 1423 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [0,0,0,0,0,0|2,0,0]=2 1424 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [0,0,0,0,0,0|2,0,0]=2 1425 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [0,0,0,0,0,0|2,1,0]=3 1426 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [0,0,0,0,0,0|2,1,0]=3 1427 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [0,0,0,0,0,0|4,0,0]=4 1428 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [0,0,0,0,0,0|4,0,0]=4 1429 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [0,0,0,0,0,0|4,0,0]=4 1430 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [0,0,0,0,0,0|4,0,0]=4 1431 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [0,0,0,0,0,0|4,0,0]=4 1432 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [0,0,0,0,0,0|4,0,0]=4 1433 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [0,0,0,0,0,0|4,0,0]=4 1434 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [0,0,0,0,0,0|4,0,0]=4 1435 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [0,0,0,0,0,0|4,0,0]=4 1436 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [0,0,0,0,0,0|4,0,0]=4 1437 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [0,0,0,0,0,0|3,0,0]=3 1438 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [0,0,0,0,0,0|3,0,0]=3 1439 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [0,0,0,0,0,0|2,0,0]=2 1440 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [0,0,0,0,0,0|2,0,0]=2 1441 B9R0.45 [13CH3]NCCOCCN=[N+]=[N-] 2230a_100102953956_200025704644 [0,0,0,0,0,0|4,0,0]=4 1442 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [0,0,0,0,0,0|3,0,0]=3 1443 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [0,0,0,0,0,0|3,0,0]=3 1444 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [0,0,0,0,0,0|3,0,0]=3 1445 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [0,0,0,0,0,0|2,0,0]=2 1446 B9R0.45 [13CH3]SCCCCCCC#N 62a_100009813337_200025704644 [0,0,0,0,0,0|3,0,1]=4 1447 B9R0.45 [13CH3]SCCCCCCC#N 62a_200025704644_100009813337 [0,0,0,0,0,0|3,0,1]=4 1448 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [0,0,0,0,0,0|3,0,0]=3 1449 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [0,0,0,0,0,0|3,0,0]=3 1450 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [1,0,0,0,0,0|1,0,2]=4 1451 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [1,0,0,0,0,0|1,0,2]=4 1452 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [1,0,0,0,0,0|1,0,2]=4 1453 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [1,0,0,0,0,0|1,0,2]=4 1454 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [1,0,0,0,0,0|1,0,2]=4 1455 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [1,0,0,0,0,0|1,0,2]=4 1456 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [1,0,0,0,0,0|1,0,2]=4 1457 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [1,0,0,0,0,0|1,0,2]=4 1458 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [1,0,0,0,0,0|1,0,2]=4 1459 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [1,0,0,0,0,0|1,0,2]=4 1460 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [1,0,0,0,0,0|1,0,2]=4 1461 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [1,0,0,0,0,0|1,0,2]=4 1462 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [1,0,0,0,0,0|1,0,2]=4 1463 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [1,0,0,0,0,0|1,0,2]=4 1464 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [1,0,0,0,0,0|1,0,2]=4 1465 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [1,0,0,0,0,0|1,0,2]=4 1466 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [1,0,0,0,0,0|1,0,2]=4 1467 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [1,0,0,0,0,0|1,0,2]=4 1468 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [1,0,0,0,0,0|1,0,2]=4 1469 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [1,0,0,0,0,0|1,0,2]=4 1470 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [1,0,0,0,0,0|1,0,2]=4 1471 B8R0.4 C#CCCCOCCBr 34a_100000211926_100000695029 [1,0,0,0,0,0|1,0,2]=4 1472 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [1,0,0,0,0,0|0,0,2]=3 1473 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [1,0,0,0,0,0|0,0,2]=3 1474 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [1,0,0,0,0,0|0,0,2]=3 1475 B8R0.4 C#CCCCOCCF 34a_100000215630_100011217306 [1,0,0,0,0,0|1,0,2]=4 1476 B8R0.4 C#CCCCOCCF 7a_100000215630_100011217306 [1,0,0,0,0,0|1,0,2]=4 1477 B8R0.4 C#CCCCOCCN 34a_100000210304_100000695029 [1,0,0,0,0,0|1,0,2]=4 1478 B8R0.4 C#CCCCOCCO 34a_100000215630_100000211926 [1,0,0,0,0,0|1,0,2]=4 1479 B8R0.4 C#CCCCOCCO 7a_100000215630_100000211926 [1,0,0,0,0,0|1,0,2]=4 1480 B8R0.4 C#CCCCOCSC 34a_100000215630_100011218213 [1,0,0,0,0,0|1,0,2]=4 1481 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [1,0,0,0,0,0|0,1,2]=4 1482 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [1,0,0,0,0,0|0,1,2]=4 1483 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [1,0,0,0,0,0|1,0,2]=4 1484 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [1,0,0,0,0,0|1,0,2]=4 1485 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [1,0,0,0,0,0|1,0,2]=4 1486 B8R0.4 C#CCCOCCCBr 34a_100011217188_100000688953 [1,0,0,0,0,0|1,0,2]=4 1487 B8R0.4 C#CCCOCCCC 34a_100000210227_100000688953 [1,0,0,0,0,0|0,0,2]=3 1488 B8R0.4 C#CCCOCCCC 34a_100011215631_100000210210 [1,0,0,0,0,0|0,0,2]=3 1489 B8R0.4 C#CCCOCCCC 7a_100000210227_100000688953 [1,0,0,0,0,0|0,0,2]=3 1490 B8R0.4 C#CCCOCCCCl 34a_100000230001_100000688953 [1,0,0,0,0,0|1,0,2]=4 1491 B8R0.4 C#CCCOCCCF 34a_100000759539_100000688953 [1,0,0,0,0,0|1,0,2]=4 1492 B8R0.4 C#CCCOCCCF 34a_100011215631_100011934791 [1,0,0,0,0,0|1,0,2]=4 1493 B8R0.4 C#CCCOCCCN 34a_100000182051_100000688953 [1,0,0,0,0,0|1,0,2]=4 1494 B8R0.4 C#CCCOCCCO 34a_100011215631_100000230001 [1,0,0,0,0,0|1,0,2]=4 1495 B8R0.4 C#CCCOCCOC 34a_100000210237_100000688953 [1,0,0,0,0,0|1,0,2]=4 1496 B8R0.4 C#CCCOCCOC 34a_100011215631_100011201679 [1,0,0,0,0,0|1,0,2]=4 1497 B8R0.4 C#CCCOCCSC 34a_100000230434_100000688953 [1,0,0,0,0,0|1,0,2]=4 1498 B8R0.4 C#CCCOCCSC 34a_100011215631_100000212216 [1,0,0,0,0,0|1,0,2]=4 1499 B8R0.4 C#CCCOCCSC 7a_100000230434_100000688953 [1,0,0,0,0,0|1,0,2]=4 1500 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [1,0,0,0,0,0|0,1,2]=4 1501 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [1,0,0,0,0,0|0,1,2]=4 1502 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [1,0,0,0,0,0|1,0,2]=4 1503 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [1,0,0,0,0,0|1,0,2]=4 1504 B8R0.4 C#CCOCCCCBr 34a_100011216708_100000184674 [1,0,0,0,0,0|1,0,2]=4 1505 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [1,0,0,0,0,0|0,0,2]=3 1506 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [1,0,0,0,0,0|0,0,2]=3 1507 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [1,0,0,0,0,0|0,0,2]=3 1508 B8R0.4 C#CCOCCCCCl 34a_100000210776_100000184674 [1,0,0,0,0,0|1,0,2]=4 1509 B8R0.4 C#CCOCCCCCl 7a_100000210776_100000038162 [1,0,0,0,0,0|1,0,2]=4 1510 B8R0.4 C#CCOCCCCF 34a_100000210247_100000729493 [1,0,0,0,0,0|1,0,2]=4 1511 B8R0.4 C#CCOCCCCF 34a_100011995726_100000184674 [1,0,0,0,0,0|1,0,2]=4 1512 B8R0.4 C#CCOCCCCF 7a_100011995726_100000038162 [1,0,0,0,0,0|1,0,2]=4 1513 B8R0.4 C#CCOCCCCI 34a_200012148704_100000184674 [1,0,0,0,0,0|1,0,2]=4 1514 B8R0.4 C#CCOCCCCN 34a_100000750430_100000184674 [1,0,0,0,0,0|1,0,2]=4 1515 B8R0.4 C#CCOCCCCO 34a_100000210247_100011216708 [1,0,0,0,0,0|1,0,2]=4 1516 B8R0.4 C#CCOCCCNC 34a_100000213112_100000184674 [1,0,0,0,0,0|1,0,2]=4 1517 B8R0.4 C#CCOCCCOC 34a_100000210247_100000740836 [1,0,0,0,0,0|1,0,2]=4 1518 B8R0.4 C#CCOCCCOC 34a_100000740835_100000184674 [1,0,0,0,0,0|1,0,2]=4 1519 B8R0.4 C#CCOCCCSC 34a_100000690336_100000184674 [1,0,0,0,0,0|1,0,2]=4 1520 B8R0.4 C#CCOCCCSC 7a_100000690336_100000038162 [1,0,0,0,0,0|1,0,2]=4 1521 B8R0.4 C#CCOCCNCC 2230a_100000700922_100000210202 [1,0,0,0,0,0|1,0,2]=4 1522 B8R0.4 C#CCOCCNCC 2230a_100015525214_100010402529 [1,0,0,0,0,0|1,0,2]=4 1523 B8R0.4 C#CCOCCNCC 34a_100000700922_100000210202 [1,0,0,0,0,0|1,0,2]=4 1524 B8R0.4 C#CCOCCOCC 34a_100000054580_100000210202 [1,0,0,0,0,0|1,0,2]=4 1525 B8R0.4 C#CCOCCOCC 34a_100000210136_100000184674 [1,0,0,0,0,0|1,0,2]=4 1526 B8R0.4 C#CCOCCOCC 34a_100000210247_100000210147 [1,0,0,0,0,0|1,0,2]=4 1527 B8R0.4 C#CCOCCOCC 34a_100121572206_100010402529 [1,0,0,0,0,0|1,0,2]=4 1528 B8R0.4 C#CCOCCOCC 7a_100000054580_100000210202 [1,0,0,0,0,0|1,0,2]=4 1529 B8R0.4 C#CCOCCOCC 7a_100000210136_100000038162 [1,0,0,0,0,0|1,0,2]=4 1530 B8R0.4 C#CCOCCSCC 34a_100000210247_100000757381 [1,0,0,0,0,0|1,0,2]=4 1531 B8R0.4 C#CCOCCSCC 34a_100000212035_100000184674 [1,0,0,0,0,0|1,0,2]=4 1532 B8R0.4 C#CCOCCSCC 62a_100000210202_100010402529 [1,0,0,0,0,0|1,0,2]=4 1533 B8R0.4 C#CCOCCSCC 62a_100010402529_100000210202 [1,0,0,0,0,0|1,0,2]=4 1534 B8R0.4 C#CCOCCSCC 7a_100000212035_100000038162 [1,0,0,0,0,0|1,0,2]=4 1535 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [1,0,0,0,0,0|0,1,2]=4 1536 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,0,0,0,0,0|0,0,2]=3 1537 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [1,0,0,0,0,0|1,0,2]=4 1538 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [1,0,0,0,0,0|1,0,2]=4 1539 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [1,0,0,0,0,0|1,0,2]=4 1540 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,0,0,0,0,0|1,0,2]=4 1541 B8R0.4 C/C=C/COCCCBr 34a_100011217188_100102629194 [1,0,0,0,0,0|1,0,2]=4 1542 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,0,0,0,0,0|0,0,2]=3 1543 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,0,0,0,0,0|0,0,2]=3 1544 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,0,0,0,0,0|0,0,2]=3 1545 B8R0.4 C/C=C/COCCCCl 34a_100000230001_100102629194 [1,0,0,0,0,0|1,0,2]=4 1546 B8R0.4 C/C=C/COCCCF 34a_100000759539_100102629194 [1,0,0,0,0,0|1,0,2]=4 1547 B8R0.4 C/C=C/COCCCF 34a_100016270725_100011934791 [1,0,0,0,0,0|1,0,2]=4 1548 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [1,0,0,0,0,0|1,0,2]=4 1549 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [1,0,0,0,0,0|1,0,2]=4 1550 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [1,0,0,0,0,0|1,0,2]=4 1551 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [1,0,0,0,0,0|1,0,2]=4 1552 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [1,0,0,0,0,0|1,0,2]=4 1553 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [1,0,0,0,0,0|1,0,2]=4 1554 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [1,0,0,0,0,0|1,0,2]=4 1555 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,0,0,0,0,0|0,1,2]=4 1556 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,0,0,0,0,0|0,1,2]=4 1557 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,0,0,0,0,0|1,0,2]=4 1558 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,0,0,0,0,0|1,0,2]=4 1559 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,0,0,0,0,0|1,0,2]=4 1560 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,0,0,0,0,0|1,0,2]=4 1561 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,0,0,0,0,0|1,0,2]=4 1562 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,0,0,0,0,0|1,0,2]=4 1563 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,0,0,0,0,0|1,0,2]=4 1564 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,0,0,0,0,0|1,0,2]=4 1565 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,0,0,0,0,0|1,0,2]=4 1566 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,0,0,0,0,0|1,0,2]=4 1567 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,0,0,0,0,0|1,0,2]=4 1568 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,0,0,0,0,0|1,0,2]=4 1569 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,0,0,0,0,0|1,0,2]=4 1570 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,0,0,0,0,0|1,0,2]=4 1571 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,0,0,0,0,0|1,0,2]=4 1572 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,0,0,0,0,0|1,0,2]=4 1573 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,0,0,0,0,0|1,0,2]=4 1574 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,0,0,0,0,0|1,0,2]=4 1575 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,0,0,0,0,0|1,0,2]=4 1576 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,0,0,0,0,0|1,0,2]=4 1577 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,0,0,0,0,0|1,0,2]=4 1578 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,0,0,0,0,0|1,0,2]=4 1579 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [1,0,0,0,0,0|1,0,2]=4 1580 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,0,0,0,0,0|0,0,2]=3 1581 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,0,0,0,0,0|0,0,2]=3 1582 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,0,0,0,0,0|0,0,2]=3 1583 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [1,0,0,0,0,0|1,0,2]=4 1584 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [1,0,0,0,0,0|1,0,2]=4 1585 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [1,0,0,0,0,0|1,0,2]=4 1586 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [1,0,0,0,0,0|1,0,2]=4 1587 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [1,0,0,0,0,0|1,0,2]=4 1588 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [1,0,0,0,0,0|1,0,2]=4 1589 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,0,0,0,0,0|0,1,2]=4 1590 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,0,0,0,0,0|0,1,2]=4 1591 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,0,0,0,0,0|1,0,2]=4 1592 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,0,0,0,0,0|1,0,2]=4 1593 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,0,0,0,0,0|1,0,2]=4 1594 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [1,0,0,0,0,0|1,0,2]=4 1595 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,0,0,0,0,0|0,0,2]=3 1596 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,0,0,0,0,0|0,0,2]=3 1597 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,0,0,0,0,0|0,0,2]=3 1598 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [1,0,0,0,0,0|1,0,2]=4 1599 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [1,0,0,0,0,0|1,0,2]=4 1600 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [1,0,0,0,0,0|1,0,2]=4 1601 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [1,0,0,0,0,0|1,0,2]=4 1602 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [1,0,0,0,0,0|1,0,2]=4 1603 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [1,0,0,0,0,0|1,0,2]=4 1604 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [1,0,0,0,0,0|1,0,2]=4 1605 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [1,0,0,0,0,0|1,0,2]=4 1606 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [1,0,0,0,0,0|1,0,2]=4 1607 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [1,0,0,0,0,0|1,0,2]=4 1608 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,0,0,0,0,0|0,1,2]=4 1609 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,0,0,0,0,0|0,1,2]=4 1610 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,0,0,0,0,0|1,0,2]=4 1611 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,0,0,0,0,0|1,0,2]=4 1612 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [1,0,0,0,0,0|1,0,2]=4 1613 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,0,0,0,0,0|0,0,2]=3 1614 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,0,0,0,0,0|0,0,2]=3 1615 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,0,0,0,0,0|0,0,2]=3 1616 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [1,0,0,0,0,0|1,0,2]=4 1617 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [1,0,0,0,0,0|1,0,2]=4 1618 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [1,0,0,0,0,0|1,0,2]=4 1619 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [1,0,0,0,0,0|1,0,2]=4 1620 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [1,0,0,0,0,0|1,0,2]=4 1621 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [1,0,0,0,0,0|1,0,2]=4 1622 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [1,0,0,0,0,0|1,0,2]=4 1623 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [1,0,0,0,0,0|1,0,2]=4 1624 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [1,0,0,0,0,0|1,0,2]=4 1625 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [1,0,0,0,0,0|1,0,2]=4 1626 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [1,0,0,0,0,0|1,0,2]=4 1627 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [1,0,0,0,0,0|1,0,2]=4 1628 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [1,0,0,0,0,0|1,0,2]=4 1629 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [1,0,0,0,0,0|1,0,2]=4 1630 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [1,0,0,0,0,0|1,0,2]=4 1631 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [1,0,0,0,0,0|1,0,2]=4 1632 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [1,0,0,0,0,0|1,0,2]=4 1633 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [1,0,0,0,0,0|1,0,2]=4 1634 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [1,0,0,0,0,0|1,0,2]=4 1635 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [1,0,0,0,0,0|1,0,2]=4 1636 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [1,0,0,0,0,0|1,0,2]=4 1637 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,0,0,0,0,0|0,1,2]=4 1638 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,0,0,0,0,0|0,1,2]=4 1639 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [1,0,0,0,0,0|1,0,2]=4 1640 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [1,0,0,0,0,0|1,0,2]=4 1641 B8R0.4 CC#CCCOCCC 34a_100000750427_100000210303 [1,0,0,0,0,0|0,0,2]=3 1642 B8R0.4 CC#CCCOCCF 34a_100000750427_100011217306 [1,0,0,0,0,0|1,0,2]=4 1643 B8R0.4 CC#CCCOCCO 34a_100000750427_100000211926 [1,0,0,0,0,0|1,0,2]=4 1644 B8R0.4 CC#CCCOCSC 34a_100000750427_100011218213 [1,0,0,0,0,0|1,0,2]=4 1645 B8R0.4 CC#CCNCCCC 2230a_100000102301_100000748600 [1,0,0,0,0,0|1,0,2]=4 1646 B8R0.4 CC#CCNCCCC 2230a_100000685387_100000210211 [1,0,0,0,0,0|1,0,2]=4 1647 B8R0.4 CC#CCNCCCC 34a_100000685387_100000210210 [1,0,0,0,0,0|1,0,2]=4 1648 B8R0.4 CC#CCNCCCC 7a_106832991798_100000748600 [1,0,0,0,0,0|1,0,2]=4 1649 B8R0.4 CC#CCOCCCBr 34a_100011217188_100000748600 [1,0,0,0,0,0|1,0,2]=4 1650 B8R0.4 CC#CCOCCCC 34a_100000210227_100000748600 [1,0,0,0,0,0|0,0,2]=3 1651 B8R0.4 CC#CCOCCCC 34a_100000761923_100000210210 [1,0,0,0,0,0|0,0,2]=3 1652 B8R0.4 CC#CCOCCCC 7a_100000210227_100000748600 [1,0,0,0,0,0|0,0,2]=3 1653 B8R0.4 CC#CCOCCCCl 34a_100000230001_100000748600 [1,0,0,0,0,0|1,0,2]=4 1654 B8R0.4 CC#CCOCCCF 34a_100000759539_100000748600 [1,0,0,0,0,0|1,0,2]=4 1655 B8R0.4 CC#CCOCCCF 34a_100000761923_100011934791 [1,0,0,0,0,0|1,0,2]=4 1656 B8R0.4 CC#CCOCCCN 34a_100000182051_100000748600 [1,0,0,0,0,0|1,0,2]=4 1657 B8R0.4 CC#CCOCCCO 34a_100000761923_100000230001 [1,0,0,0,0,0|1,0,2]=4 1658 B8R0.4 CC#CCOCCOC 34a_100000210237_100000748600 [1,0,0,0,0,0|1,0,2]=4 1659 B8R0.4 CC#CCOCCOC 34a_100000761923_100011201679 [1,0,0,0,0,0|1,0,2]=4 1660 B8R0.4 CC#CCOCCSC 34a_100000230434_100000748600 [1,0,0,0,0,0|1,0,2]=4 1661 B8R0.4 CC#CCOCCSC 34a_100000761923_100000212216 [1,0,0,0,0,0|1,0,2]=4 1662 B8R0.4 CC#CCOCCSC 7a_100000230434_100000748600 [1,0,0,0,0,0|1,0,2]=4 1663 B8R0.4 CC#CCSCCCC 62a_100000210211_100000748600 [1,0,0,0,0,0|0,1,2]=4 1664 B8R0.4 CC#CCSCCCC 62a_100000748600_100000210210 [1,0,0,0,0,0|0,1,2]=4 1665 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,0,0,0,0,0|1,0,2]=4 1666 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,0,0,0,0,0|1,0,2]=4 1667 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,0,0,0,0,0|1,0,2]=4 1668 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,0,0,0,0,0|1,0,2]=4 1669 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,0,0,0,0,0|1,0,2]=4 1670 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,0,0,0,0,0|1,0,2]=4 1671 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,0,0,0,0,0|1,0,2]=4 1672 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,0,0,0,0,0|1,0,2]=4 1673 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,0,0,0,0,0|1,0,2]=4 1674 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,0,0,0,0,0|1,0,2]=4 1675 B8R0.4 CC/C=C\COCCBr 34a_100000211926_100103147603 [1,0,0,0,0,0|1,0,2]=4 1676 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,0,0,0,0,0|0,0,2]=3 1677 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,0,0,0,0,0|0,0,2]=3 1678 B8R0.4 CC/C=C\COCCF 34a_100016268518_100011217306 [1,0,0,0,0,0|1,0,2]=4 1679 B8R0.4 CC/C=C\COCCN 34a_100000210304_100103147603 [1,0,0,0,0,0|1,0,2]=4 1680 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [1,0,0,0,0,0|1,0,2]=4 1681 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [1,0,0,0,0,0|1,0,2]=4 1682 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,0,0,0,0,0|0,1,2]=4 1683 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,0,0,0,0,0|0,1,2]=4 1684 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,0,0,0,0,0|1,0,2]=4 1685 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,0,0,0,0,0|1,0,2]=4 1686 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,0,0,0,0,0|1,0,2]=4 1687 B8R0.4 CC=CCOCCCBr 34a_100011217188_100000070051 [1,0,0,0,0,0|1,0,2]=4 1688 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,0,0,0,0,0|0,0,2]=3 1689 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,0,0,0,0,0|0,0,2]=3 1690 B8R0.4 CC=CCOCCCCl 34a_100000230001_100000070051 [1,0,0,0,0,0|1,0,2]=4 1691 B8R0.4 CC=CCOCCCF 34a_100000759539_100000070051 [1,0,0,0,0,0|1,0,2]=4 1692 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [1,0,0,0,0,0|1,0,2]=4 1693 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [1,0,0,0,0,0|1,0,2]=4 1694 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [1,0,0,0,0,0|1,0,2]=4 1695 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [1,0,0,0,0,0|1,0,2]=4 1696 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,0,0,0,0,0|0,1,2]=4 1697 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,0,0,0,0,0|0,1,2]=4 1698 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,0,0,0,0,0|2,0,1]=4 1699 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [1,0,0,0,0,0|1,0,2]=4 1700 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [1,0,0,0,0,0|1,0,2]=4 1701 B8R0.4 CCC#CCOCCBr 34a_100000211926_100009813939 [1,0,0,0,0,0|1,0,2]=4 1702 B8R0.4 CCC#CCOCCC 34a_100000032950_100000210303 [1,0,0,0,0,0|0,0,2]=3 1703 B8R0.4 CCC#CCOCCC 34a_100000210258_100009813939 [1,0,0,0,0,0|0,0,2]=3 1704 B8R0.4 CCC#CCOCCF 34a_100000032950_100011217306 [1,0,0,0,0,0|1,0,2]=4 1705 B8R0.4 CCC#CCOCCN 34a_100000210304_100009813939 [1,0,0,0,0,0|1,0,2]=4 1706 B8R0.4 CCC#CCOCCO 34a_100000032950_100000211926 [1,0,0,0,0,0|1,0,2]=4 1707 B8R0.4 CCC#CCOCSC 34a_100000032950_100011218213 [1,0,0,0,0,0|1,0,2]=4 1708 B8R0.4 CCC#CCSCCC 62a_100000210303_100009813939 [1,0,0,0,0,0|0,1,2]=4 1709 B8R0.4 CCC#CCSCCC 62a_100009813939_100000210303 [1,0,0,0,0,0|0,1,2]=4 1710 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,0,0,0,0,0|1,0,2]=4 1711 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,0,0,0,0,0|1,0,2]=4 1712 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [1,0,0,0,0,0|2,0,1]=4 1713 B8R0.4 CCCC#CCCOC 34a_100000042726_200000210301 [1,0,0,0,0,0|1,0,2]=4 1714 B8R0.4 CCCC#CCCOC 7a_100000042726_200000210301 [1,0,0,0,0,0|1,0,2]=4 1715 B8R0.4 CCCC#CCCO[13CH3] 34a_100000042726_200025704644 [1,0,0,0,0,0|1,0,2]=4 1716 B8R0.4 CCCC#CCCO[13CH3] 7a_100000042726_200025704644 [1,0,0,0,0,0|1,0,2]=4 1717 B8R0.4 CCCC#CCOCC 34a_100000034806_100000210202 [1,0,0,0,0,0|1,0,2]=4 1718 B8R0.4 CCCC#CCOCC 7a_100000034806_100000210202 [1,0,0,0,0,0|1,0,2]=4 1719 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [1,0,0,0,0,0|1,0,2]=4 1720 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [1,0,0,0,0,0|1,0,2]=4 1721 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [1,0,0,0,0,0|1,0,2]=4 1722 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [1,0,0,0,0,0|1,0,2]=4 1723 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [1,0,0,0,0,0|2,0,1]=4 1724 B8R0.4 CCCCC#CCOC 34a_200000034558_200000210301 [1,0,0,0,0,0|1,0,2]=4 1725 B8R0.4 CCCCC#CCOC 7a_200000034558_200000210301 [1,0,0,0,0,0|1,0,2]=4 1726 B8R0.4 CCCCC#CCO[13CH3] 34a_200000034558_200025704644 [1,0,0,0,0,0|1,0,2]=4 1727 B8R0.4 CCCCC#CCO[13CH3] 7a_200000034558_200025704644 [1,0,0,0,0,0|1,0,2]=4 1728 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [1,0,0,0,0,0|2,0,1]=4 1729 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,0,0,0,0,0|1,0,0]=2 1730 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,0,0,0,0,0|1,0,0]=2 1731 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,0,0,0,0,0|1,0,0]=2 1732 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,0,0,0,0,0|1,0,0]=2 1733 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,0,0,0,0,0|1,0,0]=2 1734 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,0,0,0,0,0|1,0,0]=2 1735 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,0,0,0,0,0|1,0,0]=2 1736 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,0,0,0,0,0|1,0,0]=2 1737 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,0,0,0,0,0|1,0,0]=2 1738 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,0,0,0,0,0|1,0,0]=2 1739 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,0,0,0,0,0|1,0,0]=2 1740 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,0,0,0,0,0|1,0,0]=2 1741 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,0,0,0,0,0|1,0,0]=2 1742 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,0,0,0,0,0|1,0,0]=2 1743 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,0,0,0,0,0|1,0,0]=2 1744 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,0,0,0,0,0|1,0,0]=2 1745 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,0,0,0,0,0|1,0,0]=2 1746 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,0,0,0,0,0|1,0,0]=2 1747 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,0,0,0,0,0|1,0,0]=2 1748 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [1,0,0,0,0,0|2,0,0]=3 1749 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [1,0,0,0,0,0|2,0,0]=3 1750 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,0,0,0,0,0|1,0,0]=2 1751 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,0,0,0,0,0|1,0,0]=2 1752 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,0,0,0,0,0|2,0,0]=3 1753 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,0,0,0,0,0|2,0,0]=3 1754 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [1,0,0,0,0,0|2,0,1]=4 1755 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,0,0,0,0,0|2,0,1]=4 1756 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,0,0,0,0,0|1,0,0]=2 1757 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [1,0,0,0,0,0|2,0,0]=3 1758 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [1,0,0,0,0,0|2,0,0]=3 1759 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,0,0,0,0,0|2,0,0]=3 1760 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,0,0,0,0,0|2,0,0]=3 1761 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,0,0,0,0,0|2,0,0]=3 1762 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [1,0,0,0,0,0|2,0,0]=3 1763 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,0,0,0,0,0|2,0,0]=3 1764 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [1,0,0,0,0,0|1,0,1]=3 1765 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,0,0,0,0,0|1,0,1]=3 1766 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,0,0,0,0,0|1,0,1]=3 1767 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,0,0,0,0,0|1,0,0]=2 1768 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,0,0,0,0,0|0,0,0]=1 1769 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,0,0,0,0,0|0,0,0]=1 1770 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,0,0,0,0,0|0,0,0]=1 1771 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,0,0,0,0,0|1,0,0]=2 1772 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,0,0,0,0,0|1,0,0]=2 1773 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,0,0,0,0,0|1,0,0]=2 1774 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,0,0,0,0,0|1,0,0]=2 1775 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,0,0,0,0,0|1,0,0]=2 1776 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,0,0,0,0,0|1,0,0]=2 1777 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [1,0,0,0,0,0|1,1,1]=4 1778 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [1,0,0,0,0,0|1,1,1]=4 1779 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,0,0,0,0,0|1,1,1]=4 1780 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,0,0,0,0,0|1,1,1]=4 1781 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,0,0,0,0,0|0,1,0]=2 1782 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,0,0,0,0,0|0,1,0]=2 1783 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [1,0,0,0,0,0|1,1,0]=3 1784 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [1,0,0,0,0,0|1,1,0]=3 1785 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,0,0,0,0,0|1,1,0]=3 1786 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,0,0,0,0,0|1,1,0]=3 1787 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [1,0,0,0,0,0|1,1,0]=3 1788 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [1,0,0,0,0,0|1,1,0]=3 1789 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,0,0,0,0,0|1,1,0]=3 1790 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,0,0,0,0,0|1,1,0]=3 1791 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [1,0,0,0,0,0|2,0,1]=4 1792 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [1,0,0,0,0,0|2,0,1]=4 1793 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,0,0,0,0,0|1,0,0]=2 1794 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,0,0,0,0,0|1,0,0]=2 1795 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [1,0,0,0,0,0|2,0,0]=3 1796 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [1,0,0,0,0,0|2,0,0]=3 1797 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [1,0,0,0,0,0|2,0,0]=3 1798 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [1,0,0,0,0,0|2,0,0]=3 1799 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,0,0,0,0,0|2,0,0]=3 1800 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,0,0,0,0,0|2,0,0]=3 1801 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [1,0,0,0,0,0|2,0,0]=3 1802 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [1,0,0,0,0,0|2,0,0]=3 1803 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [1,0,0,0,0,0|2,0,0]=3 1804 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [1,0,0,0,0,0|2,0,0]=3 1805 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [1,0,0,0,0,0|2,0,0]=3 1806 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [1,0,0,0,0,0|2,0,0]=3 1807 B8R0.4 CCCCOCCC#N 7a_100000210227_100000184422 [1,0,0,0,0,0|1,0,1]=3 1808 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [1,0,0,0,0,0|1,0,0]=2 1809 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [1,0,0,0,0,0|0,0,0]=1 1810 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [1,0,0,0,0,0|0,0,0]=1 1811 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [1,0,0,0,0,0|1,0,0]=2 1812 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [1,0,0,0,0,0|1,0,0]=2 1813 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [1,0,0,0,0,0|1,0,0]=2 1814 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [1,0,0,0,0,0|1,0,0]=2 1815 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [1,0,0,0,0,0|1,0,0]=2 1816 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,0,0,0,0,0|1,0,0]=2 1817 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,0,0,0,0,0|1,0,0]=2 1818 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [1,0,0,0,0,0|1,0,0]=2 1819 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [1,0,0,0,0,0|1,0,0]=2 1820 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [1,0,0,0,0,0|1,0,0]=2 1821 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [1,0,0,0,0,0|1,0,0]=2 1822 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [1,0,0,0,0,0|1,0,0]=2 1823 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [1,0,0,0,0,0|1,0,0]=2 1824 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [1,0,0,0,0,0|1,0,0]=2 1825 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [1,0,0,0,0,0|1,0,0]=2 1826 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [1,0,0,0,0,0|1,0,0]=2 1827 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [1,0,0,0,0,0|2,0,0]=3 1828 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [1,0,0,0,0,0|1,0,0]=2 1829 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [1,0,0,0,0,0|1,0,0]=2 1830 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [1,0,0,0,0,0|1,0,0]=2 1831 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [1,0,0,0,0,0|1,0,0]=2 1832 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [1,0,0,0,0,0|1,0,0]=2 1833 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [1,0,0,0,0,0|1,0,0]=2 1834 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [1,0,0,0,0,0|1,0,0]=2 1835 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [1,0,0,0,0,0|1,0,0]=2 1836 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [1,0,0,0,0,0|1,0,0]=2 1837 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [1,0,0,0,0,0|1,0,0]=2 1838 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [1,0,0,0,0,0|1,0,0]=2 1839 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [1,0,0,0,0,0|1,0,0]=2 1840 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [1,0,0,0,0,0|1,0,0]=2 1841 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [1,0,0,0,0,0|1,0,0]=2 1842 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [1,0,0,0,0,0|2,0,0]=3 1843 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [1,0,0,0,0,0|2,0,0]=3 1844 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [1,0,0,0,0,0|1,1,1]=4 1845 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [1,0,0,0,0,0|1,1,1]=4 1846 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [1,0,0,0,0,0|0,1,0]=2 1847 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [1,0,0,0,0,0|1,1,0]=3 1848 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [1,0,0,0,0,0|1,1,0]=3 1849 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,0,0,0,0,0|1,1,0]=3 1850 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,0,0,0,0,0|1,1,0]=3 1851 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [1,0,0,0,0,0|1,1,0]=3 1852 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [1,0,0,0,0,0|1,1,0]=3 1853 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [1,0,0,0,0,0|1,1,0]=3 1854 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [1,0,0,0,0,0|1,1,0]=3 1855 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [1,0,0,0,0,0|1,1,0]=3 1856 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [1,0,0,0,0,0|1,1,0]=3 1857 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [1,0,0,0,0,0|1,1,0]=3 1858 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [1,0,0,0,0,0|1,1,0]=3 1859 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [1,0,0,0,0,0|1,1,0]=3 1860 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [1,0,0,0,0,0|1,1,0]=3 1861 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [1,0,0,0,0,0|1,1,0]=3 1862 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [1,0,0,0,0,0|1,1,0]=3 1863 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,0,0,0,0,0|2,0,0]=3 1864 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,0,0,0,0,0|2,0,0]=3 1865 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [1,0,0,0,0,0|2,0,0]=3 1866 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,0,0,0,0,0|2,0,0]=3 1867 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,0,0,0,0,0|2,0,0]=3 1868 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,0,0,0,0,0|2,0,0]=3 1869 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [1,0,0,0,0,0|2,0,0]=3 1870 B8R0.4 CCCOCC#CCCl 34a_200000047223_100000210303 [1,0,0,0,0,0|1,0,2]=4 1871 B8R0.4 CCCOCC#CCO 34a_100000210258_200000047223 [1,0,0,0,0,0|1,0,2]=4 1872 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,0,0,0,0,0|1,0,0]=2 1873 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,0,0,0,0,0|1,0,0]=2 1874 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,0,0,0,0,0|1,0,0]=2 1875 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,0,0,0,0,0|1,0,0]=2 1876 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,0,0,0,0,0|1,0,0]=2 1877 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,0,0,0,0,0|1,0,0]=2 1878 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,0,0,0,0,0|1,0,0]=2 1879 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,0,0,0,0,0|1,0,0]=2 1880 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,0,0,0,0,0|1,0,0]=2 1881 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,0,0,0,0,0|1,0,0]=2 1882 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,0,0,0,0,0|1,0,0]=2 1883 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,0,0,0,0,0|1,0,0]=2 1884 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,0,0,0,0,0|1,0,0]=2 1885 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,0,0,0,0,0|1,0,0]=2 1886 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,0,0,0,0,0|1,0,0]=2 1887 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,0,0,0,0,0|1,0,0]=2 1888 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,0,0,0,0,0|1,0,0]=2 1889 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,0,0,0,0,0|1,0,0]=2 1890 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [1,0,0,0,0,0|1,0,0]=2 1891 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [1,0,0,0,0,0|1,0,0]=2 1892 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [1,0,0,0,0,0|1,0,0]=2 1893 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [1,0,0,0,0,0|2,0,0]=3 1894 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,0,0,0,0,0|1,0,0]=2 1895 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,0,0,0,0,0|1,0,0]=2 1896 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,0,0,0,0,0|1,0,0]=2 1897 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,0,0,0,0,0|1,0,0]=2 1898 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,0,0,0,0,0|1,0,0]=2 1899 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,0,0,0,0,0|1,0,0]=2 1900 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [1,0,0,0,0,0|2,0,0]=3 1901 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [1,0,0,0,0,0|2,0,0]=3 1902 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [1,0,0,0,0,0|1,0,0]=2 1903 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [1,0,0,0,0,0|1,0,0]=2 1904 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [1,0,0,0,0,0|1,0,0]=2 1905 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [1,0,0,0,0,0|1,0,0]=2 1906 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [1,0,0,0,0,0|1,0,0]=2 1907 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [1,0,0,0,0,0|2,0,0]=3 1908 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [1,0,0,0,0,0|2,0,0]=3 1909 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [1,0,0,0,0,0|1,1,1]=4 1910 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [1,0,0,0,0,0|1,1,1]=4 1911 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,0,0,0,0,0|1,1,1]=4 1912 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,0,0,0,0,0|1,1,1]=4 1913 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [1,0,0,0,0,0|1,1,0]=3 1914 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [1,0,0,0,0,0|1,1,0]=3 1915 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,0,0,0,0,0|1,1,0]=3 1916 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,0,0,0,0,0|1,1,0]=3 1917 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [1,0,0,0,0,0|1,1,0]=3 1918 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [1,0,0,0,0,0|1,1,0]=3 1919 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [1,0,0,0,0,0|1,1,0]=3 1920 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,0,0,0,0,0|1,1,0]=3 1921 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,0,0,0,0,0|1,1,0]=3 1922 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,0,0,0,0,0|1,1,0]=3 1923 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,0,0,0,0,0|1,1,0]=3 1924 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [1,0,0,0,0,0|2,1,0]=4 1925 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [1,0,0,0,0,0|2,1,0]=4 1926 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [1,0,0,0,0,0|1,1,0]=3 1927 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [1,0,0,0,0,0|1,1,0]=3 1928 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [1,0,0,0,0,0|2,0,1]=4 1929 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,0,0,0,0,0|2,0,1]=4 1930 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [1,0,0,0,0,0|2,0,0]=3 1931 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,0,0,0,0,0|2,0,0]=3 1932 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,0,0,0,0,0|2,0,0]=3 1933 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,0,0,0,0,0|2,0,0]=3 1934 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [1,0,0,0,0,0|2,0,0]=3 1935 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [1,0,0,0,0,0|2,0,0]=3 1936 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [1,0,0,0,0,0|2,0,0]=3 1937 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [1,0,0,0,0,0|2,0,0]=3 1938 B8R0.4 CCNCCOCC#N 2230a_100015525214_200000047693 [1,0,0,0,0,0|2,0,1]=4 1939 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [1,0,0,0,0,0|2,0,0]=3 1940 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [1,0,0,0,0,0|2,0,0]=3 1941 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [1,0,0,0,0,0|2,0,0]=3 1942 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [1,0,0,0,0,0|2,1,0]=4 1943 B8R0.4 CCNCOCCOC 2230a_100015525214_100000231047 [1,0,0,0,0,0|2,0,0]=3 1944 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,0,0,0,0,0|2,0,0]=3 1945 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,0,0,0,0,0|2,0,0]=3 1946 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,0,0,0,0,0|2,0,0]=3 1947 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,0,0,0,0,0|2,0,0]=3 1948 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,0,0,0,0,0|2,0,0]=3 1949 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,0,0,0,0,0|2,0,0]=3 1950 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,0,0,0,0,0|2,0,0]=3 1951 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,0,0,0,0,0|2,0,0]=3 1952 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,0,0,0,0,0|2,0,0]=3 1953 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,0,0,0,0,0|2,0,0]=3 1954 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,0,0,0,0,0|2,0,0]=3 1955 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,0,0,0,0,0|2,0,0]=3 1956 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,0,0,0,0,0|2,0,0]=3 1957 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [1,0,0,0,0,0|3,0,0]=4 1958 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [1,0,0,0,0,0|2,0,0]=3 1959 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [1,0,0,0,0,0|2,0,0]=3 1960 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [1,0,0,0,0,0|2,0,0]=3 1961 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [1,0,0,0,0,0|3,0,0]=4 1962 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [1,0,0,0,0,0|3,0,0]=4 1963 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [1,0,0,0,0,0|2,0,0]=3 1964 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [1,0,0,0,0,0|2,0,0]=3 1965 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [1,0,0,0,0,0|2,0,0]=3 1966 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [1,0,0,0,0,0|2,0,0]=3 1967 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [1,0,0,0,0,0|3,0,0]=4 1968 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [1,0,0,0,0,0|3,0,0]=4 1969 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [1,0,0,0,0,0|3,0,0]=4 1970 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [1,0,0,0,0,0|3,0,0]=4 1971 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [1,0,0,0,0,0|3,0,0]=4 1972 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [1,0,0,0,0,0|3,0,0]=4 1973 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [1,0,0,0,0,0|3,0,0]=4 1974 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [1,0,0,0,0,0|3,0,0]=4 1975 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [1,0,0,0,0,0|3,0,0]=4 1976 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [1,0,0,0,0,0|3,0,0]=4 1977 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [1,0,0,0,0,0|3,0,0]=4 1978 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [1,0,0,0,0,0|3,0,0]=4 1979 B8R0.4 CCOCCOCC#N 7a_100000210136_100011215382 [1,0,0,0,0,0|2,0,1]=4 1980 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [1,0,0,0,0,0|2,0,1]=4 1981 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [1,0,0,0,0,0|2,0,1]=4 1982 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [1,0,0,0,0,0|2,0,0]=3 1983 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [1,0,0,0,0,0|2,0,0]=3 1984 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [1,0,0,0,0,0|2,0,0]=3 1985 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [1,0,0,0,0,0|2,0,0]=3 1986 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [1,0,0,0,0,0|2,0,0]=3 1987 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [1,0,0,0,0,0|2,0,0]=3 1988 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [1,0,0,0,0,0|2,0,0]=3 1989 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [1,0,0,0,0,0|2,0,0]=3 1990 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [1,0,0,0,0,0|2,0,0]=3 1991 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [1,0,0,0,0,0|2,0,0]=3 1992 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [1,0,0,0,0,0|2,0,0]=3 1993 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [1,0,0,0,0,0|2,0,0]=3 1994 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [1,0,0,0,0,0|2,0,0]=3 1995 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [1,0,0,0,0,0|2,0,0]=3 1996 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [1,0,0,0,0,0|2,0,0]=3 1997 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [1,0,0,0,0,0|2,0,0]=3 1998 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [1,0,0,0,0,0|2,0,0]=3 1999 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [1,0,0,0,0,0|2,1,0]=4 2000 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [1,0,0,0,0,0|2,1,0]=4 2001 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [1,0,0,0,0,0|2,1,0]=4 2002 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [1,0,0,0,0,0|2,1,0]=4 2003 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [1,0,0,0,0,0|2,1,0]=4 2004 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [1,0,0,0,0,0|2,1,0]=4 2005 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [1,0,0,0,0,0|2,1,0]=4 2006 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [1,0,0,0,0,0|2,1,0]=4 2007 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [1,0,0,0,0,0|2,1,0]=4 2008 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [1,0,0,0,0,0|2,1,0]=4 2009 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [1,0,0,0,0,0|2,1,0]=4 2010 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [1,0,0,0,0,0|2,1,0]=4 2011 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [1,0,0,0,0,0|2,1,0]=4 2012 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [1,0,0,0,0,0|2,1,0]=4 2013 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [1,0,0,0,0,0|2,1,0]=4 2014 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [1,0,0,0,0,0|2,1,0]=4 2015 B8R0.4 CCOCSCOCC 62a_100000739092_100000739092 [1,0,0,0,0,0|2,1,0]=4 2016 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [1,0,0,0,0,0|2,0,1]=4 2017 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [1,0,0,0,0,0|2,0,1]=4 2018 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,0,0,0,0,0|2,0,1]=4 2019 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,0,0,0,0,0|2,0,1]=4 2020 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [1,0,0,0,0,0|2,0,0]=3 2021 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [1,0,0,0,0,0|2,0,0]=3 2022 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,0,0,0,0,0|2,0,0]=3 2023 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,0,0,0,0,0|2,0,0]=3 2024 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,0,0,0,0,0|2,0,0]=3 2025 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,0,0,0,0,0|2,0,0]=3 2026 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [1,0,0,0,0,0|3,0,0]=4 2027 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [1,0,0,0,0,0|3,0,0]=4 2028 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [1,0,0,0,0,0|3,0,0]=4 2029 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [1,0,0,0,0,0|3,0,0]=4 2030 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [1,0,0,0,0,0|3,0,0]=4 2031 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [1,0,0,0,0,0|3,0,0]=4 2032 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [1,0,0,0,0,0|3,0,0]=4 2033 B8R0.4 CCSCCNCOC 2230a_100000106463_100000766300 [1,0,0,0,0,0|3,0,0]=4 2034 B8R0.4 CCSCCNCSC 2230a_100000106463_100011218213 [1,0,0,0,0,0|3,0,0]=4 2035 B8R0.4 CCSCCOCC#N 62a_100000210202_200000047693 [1,0,0,0,0,0|2,0,1]=4 2036 B8R0.4 CCSCCOCC#N 62a_200000047693_100000210202 [1,0,0,0,0,0|2,0,1]=4 2037 B8R0.4 CCSCCOCC#N 7a_100000212035_100011215382 [1,0,0,0,0,0|2,0,1]=4 2038 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [1,0,0,0,0,0|2,0,1]=4 2039 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [1,0,0,0,0,0|2,0,1]=4 2040 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [1,0,0,0,0,0|2,0,0]=3 2041 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [1,0,0,0,0,0|2,0,0]=3 2042 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [1,0,0,0,0,0|2,0,0]=3 2043 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [1,0,0,0,0,0|2,0,0]=3 2044 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [1,0,0,0,0,0|2,0,0]=3 2045 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [1,0,0,0,0,0|2,0,0]=3 2046 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [1,0,0,0,0,0|2,0,0]=3 2047 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [1,0,0,0,0,0|2,0,0]=3 2048 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [1,0,0,0,0,0|2,0,0]=3 2049 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [1,0,0,0,0,0|2,1,0]=4 2050 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [1,0,0,0,0,0|2,1,0]=4 2051 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [1,0,0,0,0,0|2,1,0]=4 2052 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [1,0,0,0,0,0|2,1,0]=4 2053 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [1,0,0,0,0,0|2,1,0]=4 2054 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [1,0,0,0,0,0|2,1,0]=4 2055 B8R0.4 CCSCCSCSC 62a_100000757381_100011218213 [1,0,0,0,0,0|2,1,0]=4 2056 B8R0.4 CCSCCSCSC 62a_100011218213_100000757381 [1,0,0,0,0,0|2,1,0]=4 2057 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [1,0,0,0,0,0|2,0,0]=3 2058 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [1,0,0,0,0,0|2,0,0]=3 2059 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [1,0,0,0,0,0|2,0,1]=4 2060 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [1,0,0,0,0,0|2,0,1]=4 2061 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,0,0,0,0,0|2,0,1]=4 2062 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,0,0,0,0,0|2,0,1]=4 2063 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [1,0,0,0,0,0|2,0,0]=3 2064 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [1,0,0,0,0,0|2,0,0]=3 2065 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [1,0,0,0,0,0|2,0,0]=3 2066 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,0,0,0,0,0|2,0,0]=3 2067 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,0,0,0,0,0|2,0,0]=3 2068 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,0,0,0,0,0|2,0,0]=3 2069 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,0,0,0,0,0|2,0,0]=3 2070 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,0,0,0,0,0|2,0,0]=3 2071 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [1,0,0,0,0,0|2,0,0]=3 2072 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [1,0,0,0,0,0|2,0,0]=3 2073 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [1,0,0,0,0,0|2,0,0]=3 2074 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [1,0,0,0,0,0|2,0,0]=3 2075 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [1,0,0,0,0,0|2,0,1]=4 2076 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [1,0,0,0,0,0|2,0,0]=3 2077 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [1,0,0,0,0,0|2,0,0]=3 2078 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [1,0,0,0,0,0|2,0,0]=3 2079 B8R0.4 CNCCOCCOC 2230a_100000745349_200000210301 [1,0,0,0,0,0|2,0,0]=3 2080 B8R0.4 CNCCOCCOC 2230a_106832991635_100000695917 [1,0,0,0,0,0|2,0,0]=3 2081 B8R0.4 CNCCOCCOC 34a_100000228057_200000210301 [1,0,0,0,0,0|2,0,0]=3 2082 B8R0.4 CNCCOCCOC 34a_100000745349_200000210301 [1,0,0,0,0,0|2,0,0]=3 2083 B8R0.4 CNCCOCCOC 34a_100102657272_100000695917 [1,0,0,0,0,0|2,0,0]=3 2084 B8R0.4 CNCCOCCOC 7a_106832991635_100000695917 [1,0,0,0,0,0|2,0,0]=3 2085 B8R0.4 CNCCOCCO[13CH3] 34a_100000228057_200025704644 [1,0,0,0,0,0|2,0,0]=3 2086 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [1,0,0,0,0,0|2,0,0]=3 2087 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [1,0,0,0,0,0|2,0,0]=3 2088 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [1,0,0,0,0,0|2,0,0]=3 2089 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [1,0,0,0,0,0|2,0,0]=3 2090 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [1,0,0,0,0,0|2,0,0]=3 2091 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [1,0,0,0,0,0|2,0,0]=3 2092 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [1,0,0,0,0,0|2,0,0]=3 2093 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [1,0,0,0,0,0|2,0,0]=3 2094 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,0,0,0,0,0|2,0,0]=3 2095 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [1,0,0,0,0,0|2,0,0]=3 2096 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [1,0,0,0,0,0|2,0,0]=3 2097 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [1,0,0,0,0,0|3,0,0]=4 2098 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [1,0,0,0,0,0|3,0,0]=4 2099 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [1,0,0,0,0,0|3,0,0]=4 2100 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [1,0,0,0,0,0|3,0,0]=4 2101 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [1,0,0,0,0,0|3,0,0]=4 2102 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [1,0,0,0,0,0|3,0,0]=4 2103 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [1,0,0,0,0,0|3,0,0]=4 2104 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [1,0,0,0,0,0|3,0,0]=4 2105 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [1,0,0,0,0,0|3,0,0]=4 2106 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [1,0,0,0,0,0|2,0,1]=4 2107 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [1,0,0,0,0,0|2,0,0]=3 2108 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [1,0,0,0,0,0|2,0,0]=3 2109 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [1,0,0,0,0,0|2,0,0]=3 2110 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [1,0,0,0,0,0|2,0,0]=3 2111 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [1,0,0,0,0,0|2,0,0]=3 2112 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [1,0,0,0,0,0|2,1,0]=4 2113 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [1,0,0,0,0,0|2,1,0]=4 2114 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [1,0,0,0,0,0|2,1,0]=4 2115 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [1,0,0,0,0,0|2,1,0]=4 2116 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [1,0,0,0,0,0|2,1,0]=4 2117 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [1,0,0,0,0,0|2,1,0]=4 2118 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [1,0,0,0,0,0|2,1,0]=4 2119 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [1,0,0,0,0,0|2,1,0]=4 2120 B8R0.4 COCCNCCCF 2230a_100000209980_100011934791 [1,0,0,0,0,0|3,0,0]=4 2121 B8R0.4 COCCNCCCF 2230a_100015189416_100011201679 [1,0,0,0,0,0|3,0,0]=4 2122 B8R0.4 COCCNCCCF 34a_100015189416_100011201679 [1,0,0,0,0,0|3,0,0]=4 2123 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [1,0,0,0,0,0|3,0,0]=4 2124 B8R0.4 COCCNCCOC 2230a_100000209980_100011201679 [1,0,0,0,0,0|3,0,0]=4 2125 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [1,0,0,0,0,0|3,0,0]=4 2126 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [1,0,0,0,0,0|3,0,0]=4 2127 B8R0.4 COCCOCCCBr 34a_100011217188_100011201679 [1,0,0,0,0,0|2,0,0]=3 2128 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [1,0,0,0,0,0|2,0,0]=3 2129 B8R0.4 COCCOCCCF 34a_100000210237_100011934791 [1,0,0,0,0,0|2,0,0]=3 2130 B8R0.4 COCCOCCCF 34a_100000759539_100011201679 [1,0,0,0,0,0|2,0,0]=3 2131 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [1,0,0,0,0,0|2,0,0]=3 2132 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [1,0,0,0,0,0|2,0,0]=3 2133 B8R0.4 COCCOCCN[13CH3] 2230a_100000745349_200025704644 [1,0,0,0,0,0|2,0,0]=3 2134 B8R0.4 COCCOCCN[13CH3] 34a_100000745349_200025704644 [1,0,0,0,0,0|2,0,0]=3 2135 B8R0.4 COCCOCCOC 34a_100000210237_100011201679 [1,0,0,0,0,0|2,0,0]=3 2136 B8R0.4 COCCOCCOC 34a_100011215163_200000210301 [1,0,0,0,0,0|2,0,0]=3 2137 B8R0.4 COCCOCCOC 34a_100138415774_100000695917 [1,0,0,0,0,0|2,0,0]=3 2138 B8R0.4 COCCOCCOC 7a_100011215163_200000210301 [1,0,0,0,0,0|2,0,0]=3 2139 B8R0.4 COCCOCCON 34a_100000700252_100011201679 [1,0,0,0,0,0|3,0,0]=4 2140 B8R0.4 COCCOCCO[13CH3] 34a_100011215163_200025704644 [1,0,0,0,0,0|2,0,0]=3 2141 B8R0.4 COCCOCCO[13CH3] 7a_100011215163_200025704644 [1,0,0,0,0,0|2,0,0]=3 2142 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [1,0,0,0,0,0|2,0,0]=3 2143 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [1,0,0,0,0,0|2,0,0]=3 2144 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [1,0,0,0,0,0|2,0,0]=3 2145 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [1,0,0,0,0,0|2,0,0]=3 2146 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [1,0,0,0,0,0|2,0,0]=3 2147 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [1,0,0,0,0,0|2,0,0]=3 2148 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [1,0,0,0,0,0|2,0,0]=3 2149 B8R0.4 COCCOCSCF 62a_100000231047_100015361967 [1,0,0,0,0,0|3,0,0]=4 2150 B8R0.4 COCCOCSCF 62a_100015361967_100000231047 [1,0,0,0,0,0|3,0,0]=4 2151 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [1,0,0,0,0,0|2,1,0]=4 2152 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [1,0,0,0,0,0|2,1,0]=4 2153 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [1,0,0,0,0,0|2,1,0]=4 2154 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [1,0,0,0,0,0|2,1,0]=4 2155 B8R0.4 COCCSCCOC 62a_100000233755_100000233755 [1,0,0,0,0,0|2,1,0]=4 2156 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [1,0,0,0,0,0|2,1,0]=4 2157 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [1,0,0,0,0,0|2,1,0]=4 2158 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [1,0,0,0,0,0|3,0,0]=4 2159 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [1,0,0,0,0,0|3,0,0]=4 2160 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [1,0,0,0,0,0|2,1,0]=4 2161 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [1,0,0,0,0,0|2,1,0]=4 2162 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [1,0,0,0,0,0|2,1,0]=4 2163 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [1,0,0,0,0,0|2,1,0]=4 2164 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [1,0,0,0,0,0|2,0,1]=4 2165 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [1,0,0,0,0,0|2,0,1]=4 2166 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,0,0,0,0,0|2,0,1]=4 2167 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,0,0,0,0,0|2,0,1]=4 2168 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,0,0,0,0,0|2,0,0]=3 2169 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,0,0,0,0,0|2,0,0]=3 2170 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,0,0,0,0,0|2,0,0]=3 2171 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,0,0,0,0,0|2,0,0]=3 2172 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [1,0,0,0,0,0|3,0,0]=4 2173 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [1,0,0,0,0,0|3,0,0]=4 2174 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [1,0,0,0,0,0|3,0,0]=4 2175 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [1,0,0,0,0,0|3,0,0]=4 2176 B8R0.4 CSCCCNCSC 2230a_100000749238_100011218213 [1,0,0,0,0,0|3,0,0]=4 2177 B8R0.4 CSCCCOCC#N 7a_100000690336_100011215382 [1,0,0,0,0,0|2,0,1]=4 2178 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [1,0,0,0,0,0|2,0,1]=4 2179 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [1,0,0,0,0,0|2,0,1]=4 2180 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [1,0,0,0,0,0|2,0,0]=3 2181 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [1,0,0,0,0,0|2,0,0]=3 2182 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [1,0,0,0,0,0|2,0,0]=3 2183 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [1,0,0,0,0,0|2,0,0]=3 2184 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [1,0,0,0,0,0|2,0,0]=3 2185 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [1,0,0,0,0,0|3,0,0]=4 2186 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [1,0,0,0,0,0|3,0,0]=4 2187 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [1,0,0,0,0,0|3,0,0]=4 2188 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [1,0,0,0,0,0|3,0,0]=4 2189 B8R0.4 CSCCNCCSC 2230a_100020590264_100000751147 [1,0,0,0,0,0|3,0,0]=4 2190 B8R0.4 CSCCOCCC#N 7a_100000230434_100000184422 [1,0,0,0,0,0|2,0,1]=4 2191 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [1,0,0,0,0,0|2,0,0]=3 2192 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [1,0,0,0,0,0|2,0,0]=3 2193 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [1,0,0,0,0,0|2,0,0]=3 2194 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [1,0,0,0,0,0|2,0,0]=3 2195 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [1,0,0,0,0,0|2,0,0]=3 2196 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [1,0,0,0,0,0|2,0,0]=3 2197 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [1,0,0,0,0,0|2,0,0]=3 2198 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [1,0,0,0,0,0|2,0,0]=3 2199 B8R0.4 CSCCOCCON 34a_100000700252_100000212216 [1,0,0,0,0,0|3,0,0]=4 2200 B8R0.4 CSCCOCCSC 34a_100000230434_100000212216 [1,0,0,0,0,0|2,0,0]=3 2201 B8R0.4 CSCCOCCSC 7a_100000230434_100000212216 [1,0,0,0,0,0|2,0,0]=3 2202 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [1,0,0,0,0,0|2,1,0]=4 2203 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [1,0,0,0,0,0|2,1,0]=4 2204 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [1,0,0,0,0,0|2,1,0]=4 2205 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [1,0,0,0,0,0|2,1,0]=4 2206 B8R0.4 CSCCSCCSC 62a_100000212216_100000751147 [1,0,0,0,0,0|2,1,0]=4 2207 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [1,0,0,0,0,0|3,0,0]=4 2208 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [1,0,0,0,0,0|3,0,0]=4 2209 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [1,0,0,0,0,0|2,0,0]=3 2210 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [1,0,0,0,0,0|2,0,0]=3 2211 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [1,0,0,0,0,0|2,0,0]=3 2212 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [1,0,0,0,0,0|2,0,0]=3 2213 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [1,0,0,0,0,0|2,0,0]=3 2214 B8R0.4 CSCSCCCCF 62a_100000729493_100011218213 [1,0,0,0,0,0|2,1,0]=4 2215 B8R0.4 CSCSCCCCF 62a_100011218213_100000729493 [1,0,0,0,0,0|2,1,0]=4 2216 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [1,0,0,0,0,0|2,1,0]=4 2217 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [1,0,0,0,0,0|2,1,0]=4 2218 B8R0.4 FCCCCCSCF 62a_100000729378_100015361967 [1,0,0,0,0,0|3,0,0]=4 2219 B8R0.4 FCCCCCSCF 62a_100015361967_100000729378 [1,0,0,0,0,0|3,0,0]=4 2220 B8R0.4 FCCCCNCCF 34a_100000724931_100000729493 [1,0,0,0,0,0|3,0,0]=4 2221 B8R0.4 FCCCCOCCBr 34a_100000211926_100000729493 [1,0,0,0,0,0|2,0,0]=3 2222 B8R0.4 FCCCCOCCF 34a_100011995726_100011217306 [1,0,0,0,0,0|2,0,0]=3 2223 B8R0.4 FCCCCOCCF 7a_100011995726_100011217306 [1,0,0,0,0,0|2,0,0]=3 2224 B8R0.4 FCCCCSCCF 62a_100000729493_100011217306 [1,0,0,0,0,0|2,1,0]=4 2225 B8R0.4 FCCCCSCCF 62a_100011217306_100000729493 [1,0,0,0,0,0|2,1,0]=4 2226 B8R0.4 FCCCNCCCF 2230a_100015189416_100011934791 [1,0,0,0,0,0|3,0,0]=4 2227 B8R0.4 FCCCNCCCF 34a_100015189416_100011934791 [1,0,0,0,0,0|3,0,0]=4 2228 B8R0.4 FCCCOCCCBr 34a_100011217188_100011934791 [1,0,0,0,0,0|2,0,0]=3 2229 B8R0.4 FCCCOCCCCl 34a_100000230001_100011934791 [1,0,0,0,0,0|2,0,0]=3 2230 B8R0.4 FCCCOCCCF 34a_100000759539_100011934791 [1,0,0,0,0,0|2,0,0]=3 2231 B8R0.4 FCCCSCCCF 62a_100011934791_100011934791 [1,0,0,0,0,0|2,1,0]=4 2232 B8R0.4 FCCOCCCCBr 34a_100011216708_100011217306 [1,0,0,0,0,0|2,0,0]=3 2233 B8R0.4 FCCOCCCCCl 34a_100000210776_100011217306 [1,0,0,0,0,0|2,0,0]=3 2234 B8R0.4 FCCOCCCCCl 7a_100000210776_100011217306 [1,0,0,0,0,0|2,0,0]=3 2235 B8R0.4 FCCOCCCCI 34a_200012148704_100011217306 [1,0,0,0,0,0|2,0,0]=3 2236 B8R0.4 FCCOCCOCF 34a_200015357709_100015361967 [1,0,0,0,0,0|3,0,0]=4 2237 B8R0.4 FCCOCCOCF 7a_200015357709_100015361967 [1,0,0,0,0,0|3,0,0]=4 2238 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [1,0,0,0,0,0|3,0,0]=4 2239 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [1,0,0,0,0,0|3,0,0]=4 2240 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [1,0,0,0,0,0|3,0,0]=4 2241 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [1,0,0,0,0,0|3,0,0]=4 2242 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [1,0,0,0,0,0|3,0,0]=4 2243 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [1,0,0,0,0,0|3,0,0]=4 2244 B8R0.4 FCOCCOCCBr 34a_100000692535_100015361967 [1,0,0,0,0,0|3,0,0]=4 2245 B8R0.4 FCOCCOCCBr 7a_100000692535_100015361967 [1,0,0,0,0,0|3,0,0]=4 2246 B8R0.4 FCOCCOCCCl 34a_100011215305_100015361967 [1,0,0,0,0,0|3,0,0]=4 2247 B8R0.4 FCOCCOCCCl 7a_100011215305_100015361967 [1,0,0,0,0,0|3,0,0]=4 2248 B8R0.4 FCOCCOCCI 34a_100012149058_100015361967 [1,0,0,0,0,0|3,0,0]=4 2249 B8R0.4 FCOCCOCCI 7a_100012149058_100015361967 [1,0,0,0,0,0|3,0,0]=4 2250 B8R0.4 N#CCOCCCCCl 7a_100000210776_100011215382 [1,0,0,0,0,0|2,0,1]=4 2251 B8R0.4 N#CCOCCCCF 7a_100011995726_100011215382 [1,0,0,0,0,0|2,0,1]=4 2252 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [1,0,0,0,0,0|3,0,0]=4 2253 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [1,0,0,0,0,0|2,0,1]=4 2254 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [1,0,0,0,0,0|2,0,0]=3 2255 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [1,0,0,0,0,0|2,0,0]=3 2256 B8R0.4 NCCCOCCCF 34a_100000182051_100011934791 [1,0,0,0,0,0|2,0,0]=3 2257 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [1,0,0,0,0,0|2,0,0]=3 2258 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [1,0,0,0,0,0|2,0,0]=3 2259 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [1,0,0,0,0,0|2,0,0]=3 2260 B8R0.4 NCCOCCOCF 34a_100000211614_100015361967 [1,0,0,0,0,0|3,0,0]=4 2261 B8R0.4 NOCCOCCCF 34a_100000700252_100011934791 [1,0,0,0,0,0|3,0,0]=4 2262 B8R0.4 NOCCOCCCO 34a_100000700252_100000230001 [1,0,0,0,0,0|3,0,0]=4 2263 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [1,0,0,0,0,0|2,0,1]=4 2264 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [1,0,0,0,0,0|2,0,1]=4 2265 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [1,0,0,0,0,0|2,0,1]=4 2266 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [1,0,0,0,0,0|2,0,1]=4 2267 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [1,0,0,0,0,0|2,0,1]=4 2268 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [1,0,0,0,0,0|2,0,1]=4 2269 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [1,0,0,0,0,0|3,0,0]=4 2270 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [1,0,0,0,0,0|3,0,0]=4 2271 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [1,0,0,0,0,0|3,0,0]=4 2272 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [1,0,0,0,0,0|3,0,0]=4 2273 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [1,0,0,0,0,0|3,0,0]=4 2274 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [1,0,0,0,0,0|3,0,0]=4 2275 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [1,0,0,0,0,0|3,0,0]=4 2276 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [1,0,0,0,0,0|3,0,0]=4 2277 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [1,0,0,0,0,0|3,0,0]=4 2278 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [1,0,0,0,0,0|3,0,0]=4 2279 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [1,0,0,0,0,0|2,0,0]=3 2280 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [1,0,0,0,0,0|2,1,0]=4 2281 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [1,0,0,0,0,0|2,1,0]=4 2282 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [1,0,0,0,0,0|2,1,0]=4 2283 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [1,0,0,0,0,0|2,1,0]=4 2284 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [1,0,0,0,0,0|3,0,0]=4 2285 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [1,0,0,0,0,0|3,0,0]=4 2286 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [1,0,0,0,0,0|2,0,0]=3 2287 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [1,0,0,0,0,0|2,0,0]=3 2288 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [1,0,0,0,0,0|2,0,0]=3 2289 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [1,0,0,0,0,0|2,1,0]=4 2290 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [1,0,0,0,0,0|2,1,0]=4 2291 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [1,0,0,0,0,0|2,1,0]=4 2292 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [1,0,0,0,0,0|3,0,0]=4 2293 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [1,0,0,0,0,0|3,0,0]=4 2294 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [1,0,0,0,0,0|2,0,0]=3 2295 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [1,0,0,0,0,0|2,0,0]=3 2296 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [1,0,0,0,0,0|2,0,0]=3 2297 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [1,0,0,0,0,0|2,0,0]=3 2298 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [1,0,0,0,0,0|2,0,0]=3 2299 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [1,0,0,0,0,0|2,0,0]=3 2300 B8R0.4 OCCOCCNCF 34a_100000211614_100015361967 [1,0,0,0,0,0|3,0,0]=4 2301 B8R0.4 OCCOCCSCF 62a_100011215305_100015361967 [1,0,0,0,0,0|3,0,0]=4 2302 B8R0.4 OCCOCCSCF 62a_100015361967_100011215305 [1,0,0,0,0,0|3,0,0]=4 2303 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [1,0,0,0,0,0|2,1,0]=4 2304 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [1,0,0,0,0,0|2,1,0]=4 2305 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,0,0,0,0,0|2,0,0]=3 2306 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,0,0,0,0,0|2,0,0]=3 2307 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [1,0,0,0,0,0|2,0,0]=3 2308 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [1,0,0,0,0,0|2,0,0]=3 2309 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [1,0,0,0,0,0|2,0,0]=3 2310 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [1,0,0,0,0,0|2,0,0]=3 2311 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [1,0,0,0,0,0|2,0,0]=3 2312 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [1,0,0,0,0,0|2,0,0]=3 2313 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [1,0,0,0,0,0|2,0,0]=3 2314 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [1,0,0,0,0,0|2,0,1]=4 2315 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [1,0,0,0,0,0|2,0,1]=4 2316 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,0,0,0,0,0|2,0,1]=4 2317 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,0,0,0,0,0|2,0,1]=4 2318 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,0,0,0,0,0|2,0,0]=3 2319 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,0,0,0,0,0|2,0,0]=3 2320 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,0,0,0,0,0|2,0,0]=3 2321 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,0,0,0,0,0|2,0,0]=3 2322 B10R0.1 C#CCC(=O)COCCCC 1458a_100000757543_100000184674 [0,1,0,0,0,0|0,0,3]=4 2323 B10R0.1 C#CCC(=O)COCCCC 1458a_100011220946_100011995733 [0,1,0,0,0,0|0,0,3]=4 2324 B10R0.1 C#CCC(C)OCCCCC 34a_100000685586_100000718602 [0,1,0,0,0,0|0,0,2]=3 2325 B10R0.1 C#CCC(C)OCCCCC 7a_100000685586_100000210326 [0,1,0,0,0,0|0,0,2]=3 2326 B10R0.1 C#CCC(C)OCCCCF 34a_100000685586_100000729493 [0,1,0,0,0,0|1,0,2]=4 2327 B10R0.1 C#CCC(C)OCCCCF 7a_100000685586_100000729493 [0,1,0,0,0,0|1,0,2]=4 2328 B10R0.1 C#CCC(C)OCCCCO 34a_100000685586_100011216708 [0,1,0,0,0,0|1,0,2]=4 2329 B10R0.1 C#CCC(C)OCCCCO 7a_100000685586_100000210776 [0,1,0,0,0,0|1,0,2]=4 2330 B10R0.1 C#CCC(C)OCCCOC 34a_100000685586_100000740836 [0,1,0,0,0,0|1,0,2]=4 2331 B10R0.1 C#CCC(C)OCCCOC 7a_100000685586_100000740836 [0,1,0,0,0,0|1,0,2]=4 2332 B10R0.1 C#CCC(C)OCCOCC 34a_100000685586_100000210147 [0,1,0,0,0,0|1,0,2]=4 2333 B10R0.1 C#CCC(C)OCCOCC 7a_100000685586_100011215890 [0,1,0,0,0,0|1,0,2]=4 2334 B10R0.1 C#CCC(C)OCCSCC 34a_100000685586_100000757381 [0,1,0,0,0,0|1,0,2]=4 2335 B10R0.1 C#CCC(C)OCCSCC 7a_100000685586_100000757381 [0,1,0,0,0,0|1,0,2]=4 2336 B10R0.1 C#CCCCNC(C)CCC 2230a_100000741246_100000731252 [0,1,0,0,0,0|1,0,2]=4 2337 B10R0.1 C#CCCCNC(C)CCC 270004a_100000718082_100000211909 [0,1,0,0,0,0|1,0,2]=4 2338 B10R0.1 C#CCCCNC(C)CCC 34a_100000718082_100000766640 [0,1,0,0,0,0|1,0,2]=4 2339 B10R0.1 C#CCCCOC(C)CCBr 34a_100012276601_100000695029 [0,1,0,0,0,0|1,0,2]=4 2340 B10R0.1 C#CCCCOC(C)CCC 34a_100000215630_100000766640 [0,1,0,0,0,0|0,0,2]=3 2341 B10R0.1 C#CCCCOC(C)CCC 34a_100000764384_100000695029 [0,1,0,0,0,0|0,0,2]=3 2342 B10R0.1 C#CCCCOC(C)CCC 7a_100000215630_100000766640 [0,1,0,0,0,0|0,0,2]=3 2343 B10R0.1 C#CCCCOC(C)CCC 7a_100000764384_100011215417 [0,1,0,0,0,0|0,0,2]=3 2344 B10R0.1 C#CCCCOC(C)CCO 34a_100000215630_100009893172 [0,1,0,0,0,0|1,0,2]=4 2345 B10R0.1 C#CCCCOC(C)CCO 7a_100000215630_100009893172 [0,1,0,0,0,0|1,0,2]=4 2346 B10R0.1 C#CCCCOC(C)COC 34a_100000215630_100000765312 [0,1,0,0,0,0|1,0,2]=4 2347 B10R0.1 C#CCCCOC(C)COC 7a_100000215630_100000765312 [0,1,0,0,0,0|1,0,2]=4 2348 B10R0.1 C#CCCCO[C@H](C)COC 34a_100011934205_100000695029 [0,1,0,0,0,0|1,0,2]=4 2349 B10R0.1 C#CCCCSC(C)CCC 62a_100000766640_100011215417 [0,1,0,0,0,0|0,1,2]=4 2350 B10R0.1 C#CCCCSC(C)CCC 62a_100011215417_100000766640 [0,1,0,0,0,0|0,1,2]=4 2351 B10R0.1 C#CCCNCC(C)CCC 34a_100000755551_100011216630 [0,1,0,0,0,0|1,0,2]=4 2352 B10R0.1 C#CCCOCC(C)CCC 34a_100000688023_100000688953 [0,1,0,0,0,0|0,0,2]=3 2353 B10R0.1 C#CCCOCC(C)CCC 34a_100011215631_100011216630 [0,1,0,0,0,0|0,0,2]=3 2354 B10R0.1 C#CCCOCC(C)CCC 7a_100000688023_100000688953 [0,1,0,0,0,0|0,0,2]=3 2355 B10R0.1 C#CCCOCC(C)CCN 34a_106354213184_100000688953 [0,1,0,0,0,0|1,0,2]=4 2356 B10R0.1 C#CCCOCC(N)COC 34a_100000724102_100000688953 [0,1,0,0,0,0|1,0,2]=4 2357 B10R0.1 C#CCCOCC(O)COC 34a_100011215631_100011215053 [0,1,0,0,0,0|1,0,2]=4 2358 B10R0.1 C#CCCOC[C@@H](N)CCC 34a_100000732646_100000688953 [0,1,0,0,0,0|0,0,2]=3 2359 B10R0.1 C#CCCSCC(C)CCC 62a_100000688953_100011216630 [0,1,0,0,0,0|0,1,2]=4 2360 B10R0.1 C#CCCSCC(C)CCC 62a_100011216630_100000688953 [0,1,0,0,0,0|0,1,2]=4 2361 B10R0.1 C#CCN(C)COCCCC 2230a_100000225692_100011995733 [0,1,0,0,0,0|1,0,2]=4 2362 B10R0.1 C#CCN(C)COCCCC 34a_100000225692_100011995733 [0,1,0,0,0,0|1,0,2]=4 2363 B10R0.1 C/C=C/C(C)OCCCCC 34a_200102604097_100000718602 [0,1,0,0,0,0|0,0,2]=3 2364 B10R0.1 C/C=C/C(C)OCCCCF 34a_200102604097_100000729493 [0,1,0,0,0,0|1,0,2]=4 2365 B10R0.1 C/C=C/C(C)OCCCCO 34a_200102604097_100011216708 [0,1,0,0,0,0|1,0,2]=4 2366 B10R0.1 C/C=C/C(C)OCCCOC 34a_200102604097_100000740836 [0,1,0,0,0,0|1,0,2]=4 2367 B10R0.1 C/C=C/C(C)OCCOCC 34a_200102604097_100000210147 [0,1,0,0,0,0|1,0,2]=4 2368 B10R0.1 C/C=C/C(C)OCCSCC 34a_200102604097_100000757381 [0,1,0,0,0,0|1,0,2]=4 2369 B10R0.1 C/C=C/CCOC(C)CCC 34a_100016278192_100000766640 [0,1,0,0,0,0|0,0,2]=3 2370 B10R0.1 C/C=C/CCOC(C)CCO 34a_100016278192_100009893172 [0,1,0,0,0,0|1,0,2]=4 2371 B10R0.1 C/C=C/CCOC(C)COC 34a_100016278192_100000765312 [0,1,0,0,0,0|1,0,2]=4 2372 B10R0.1 C/C=C/COCC(C)CCC 34a_100000688023_100102629194 [0,1,0,0,0,0|0,0,2]=3 2373 B10R0.1 C/C=C/COCC(C)CCC 34a_100016270725_100011216630 [0,1,0,0,0,0|0,0,2]=3 2374 B10R0.1 C/C=C/COCC(C)CCC 7a_100000688023_100102629194 [0,1,0,0,0,0|0,0,2]=3 2375 B10R0.1 C/C=C/COCC(C)CCN 34a_106354213184_100102629194 [0,1,0,0,0,0|1,0,2]=4 2376 B10R0.1 C/C=C/COCC(N)COC 34a_100000724102_100102629194 [0,1,0,0,0,0|1,0,2]=4 2377 B10R0.1 C/C=C/COCC(O)COC 34a_100016270725_100011215053 [0,1,0,0,0,0|1,0,2]=4 2378 B10R0.1 C/C=C/COC[C@@H](N)CCC 34a_100000732646_100102629194 [0,1,0,0,0,0|0,0,2]=3 2379 B10R0.1 C/C=C/CSCC(C)CCC 62a_100011216630_100102629194 [0,1,0,0,0,0|0,1,2]=4 2380 B10R0.1 C/C=C/CSCC(C)CCC 62a_100102629194_100011216630 [0,1,0,0,0,0|0,1,2]=4 2381 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [0,1,0,0,0,0|0,0,3]=4 2382 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [0,1,0,0,0,0|0,0,3]=4 2383 B10R0.1 C=CCC(C)COCCCC 34a_100009832082_100000210210 [0,1,0,0,0,0|0,0,2]=3 2384 B10R0.1 C=CCC(C)COCCCC 7a_100009832082_100000210211 [0,1,0,0,0,0|0,0,2]=3 2385 B10R0.1 C=CCC(C)COCCCF 34a_100009832082_100011934791 [0,1,0,0,0,0|1,0,2]=4 2386 B10R0.1 C=CCC(C)COCCCF 7a_100009832082_100011934791 [0,1,0,0,0,0|1,0,2]=4 2387 B10R0.1 C=CCC(C)COCCCO 34a_100009832082_100000230001 [0,1,0,0,0,0|1,0,2]=4 2388 B10R0.1 C=CCC(C)COCCCO 7a_100009832082_100011215043 [0,1,0,0,0,0|1,0,2]=4 2389 B10R0.1 C=CCC(C)COCCOC 34a_100009832082_100011201679 [0,1,0,0,0,0|1,0,2]=4 2390 B10R0.1 C=CCC(C)COCCOC 7a_100009832082_100000233755 [0,1,0,0,0,0|1,0,2]=4 2391 B10R0.1 C=CCC(C)COCCSC 34a_100009832082_100000212216 [0,1,0,0,0,0|1,0,2]=4 2392 B10R0.1 C=CCC(C)COCCSC 7a_100009832082_100000212216 [0,1,0,0,0,0|1,0,2]=4 2393 B10R0.1 C=CCCCNC(C)CCC 2230a_100000700776_100000766640 [0,1,0,0,0,0|1,0,2]=4 2394 B10R0.1 C=CCCCNC(C)CCC 2230a_100000741246_100011713584 [0,1,0,0,0,0|1,0,2]=4 2395 B10R0.1 C=CCCCNC(C)CCC 270004a_100000700776_100000211909 [0,1,0,0,0,0|1,0,2]=4 2396 B10R0.1 C=CCCCNC(C)CCC 34a_100000700776_100000766640 [0,1,0,0,0,0|1,0,2]=4 2397 B10R0.1 C=CCCCOC(C)CCBr 34a_100012276601_100000757094 [0,1,0,0,0,0|1,0,2]=4 2398 B10R0.1 C=CCCCOC(C)CCC 34a_100000758997_100000766640 [0,1,0,0,0,0|0,0,2]=3 2399 B10R0.1 C=CCCCOC(C)CCC 34a_100000764384_100000757094 [0,1,0,0,0,0|0,0,2]=3 2400 B10R0.1 C=CCCCOC(C)CCC 7a_100000758997_100000766640 [0,1,0,0,0,0|0,0,2]=3 2401 B10R0.1 C=CCCCOC(C)CCC 7a_100000764384_100000757094 [0,1,0,0,0,0|0,0,2]=3 2402 B10R0.1 C=CCCCOC(C)CCO 34a_100000758997_100009893172 [0,1,0,0,0,0|1,0,2]=4 2403 B10R0.1 C=CCCCOC(C)CCO 7a_100000758997_100009893172 [0,1,0,0,0,0|1,0,2]=4 2404 B10R0.1 C=CCCCOC(C)COC 34a_100000758997_100000765312 [0,1,0,0,0,0|1,0,2]=4 2405 B10R0.1 C=CCCCOC(C)COC 7a_100000758997_100000765312 [0,1,0,0,0,0|1,0,2]=4 2406 B10R0.1 C=CCCCO[C@H](C)COC 34a_100011934205_100000757094 [0,1,0,0,0,0|1,0,2]=4 2407 B10R0.1 C=CCCCSC(C)CCC 62a_100000766640_100000757094 [0,1,0,0,0,0|0,1,2]=4 2408 B10R0.1 C=CCCCSC(C)CCC 62a_100011713584_100000766640 [0,1,0,0,0,0|0,1,2]=4 2409 B10R0.1 C=CCCNCC(C)CCC 2230a_100015191253_100011216630 [0,1,0,0,0,0|1,0,2]=4 2410 B10R0.1 C=CCCNCC(C)CCC 270004a_100015191253_100000243154 [0,1,0,0,0,0|1,0,2]=4 2411 B10R0.1 C=CCCOCC(C)CCC 34a_100000688023_100000754431 [0,1,0,0,0,0|0,0,2]=3 2412 B10R0.1 C=CCCOCC(C)CCC 34a_100011205117_100011216630 [0,1,0,0,0,0|0,0,2]=3 2413 B10R0.1 C=CCCOCC(C)CCC 7a_100000688023_100000754431 [0,1,0,0,0,0|0,0,2]=3 2414 B10R0.1 C=CCCOCC(C)CCN 34a_106354213184_100000754431 [0,1,0,0,0,0|1,0,2]=4 2415 B10R0.1 C=CCCOCC(N)COC 34a_100000724102_100000754431 [0,1,0,0,0,0|1,0,2]=4 2416 B10R0.1 C=CCCOCC(O)COC 34a_100011205117_100011215053 [0,1,0,0,0,0|1,0,2]=4 2417 B10R0.1 C=CCCOC[C@@H](N)CCC 34a_100000732646_100000754431 [0,1,0,0,0,0|0,0,2]=3 2418 B10R0.1 C=CCCSCC(C)CCC 62a_100000754431_100011216630 [0,1,0,0,0,0|0,1,2]=4 2419 B10R0.1 C=CCCSCC(C)CCC 62a_100011216630_100000754431 [0,1,0,0,0,0|0,1,2]=4 2420 B10R0.1 C=CCN(C)COCCCC 2230a_100000225617_100011995733 [0,1,0,0,0,0|1,0,2]=4 2421 B10R0.1 C=CCN(C)COCCCC 269982a_100000225617_100011995733 [0,1,0,0,0,0|1,0,2]=4 2422 B10R0.1 C=CC[C@@H](C)OCCCCC 34a_100000731007_100000718602 [0,1,0,0,0,0|0,0,2]=3 2423 B10R0.1 C=CC[C@@H](C)OCCCCC 7a_100000731007_100000210326 [0,1,0,0,0,0|0,0,2]=3 2424 B10R0.1 C=CC[C@@H](C)OCCCCF 34a_100000731007_100000729493 [0,1,0,0,0,0|1,0,2]=4 2425 B10R0.1 C=CC[C@@H](C)OCCCCF 7a_100000731007_100000729493 [0,1,0,0,0,0|1,0,2]=4 2426 B10R0.1 C=CC[C@@H](C)OCCCCO 34a_100000731007_100011216708 [0,1,0,0,0,0|1,0,2]=4 2427 B10R0.1 C=CC[C@@H](C)OCCCCO 7a_100000731007_100000210776 [0,1,0,0,0,0|1,0,2]=4 2428 B10R0.1 C=CC[C@@H](C)OCCCOC 34a_100000731007_100000740836 [0,1,0,0,0,0|1,0,2]=4 2429 B10R0.1 C=CC[C@@H](C)OCCCOC 7a_100000731007_100000740836 [0,1,0,0,0,0|1,0,2]=4 2430 B10R0.1 C=CC[C@@H](C)OCCOCC 34a_100000731007_100000210147 [0,1,0,0,0,0|1,0,2]=4 2431 B10R0.1 C=CC[C@@H](C)OCCOCC 7a_100000731007_100011215890 [0,1,0,0,0,0|1,0,2]=4 2432 B10R0.1 C=CC[C@@H](C)OCCSCC 34a_100000731007_100000757381 [0,1,0,0,0,0|1,0,2]=4 2433 B10R0.1 C=CC[C@@H](C)OCCSCC 7a_100000731007_100000757381 [0,1,0,0,0,0|1,0,2]=4 2434 B10R0.1 C=CC[C@@H](N)COCCCC 34a_100020615467_100000210210 [0,1,0,0,0,0|0,0,2]=3 2435 B10R0.1 C=CC[C@@H](N)COCCCF 34a_100020615467_100011934791 [0,1,0,0,0,0|1,0,2]=4 2436 B10R0.1 C=CC[C@@H](N)COCCCO 34a_100020615467_100000230001 [0,1,0,0,0,0|1,0,2]=4 2437 B10R0.1 C=CC[C@@H](N)COCCOC 34a_100020615467_100011201679 [0,1,0,0,0,0|1,0,2]=4 2438 B10R0.1 C=CC[C@@H](N)COCCSC 34a_100020615467_100000212216 [0,1,0,0,0,0|1,0,2]=4 2439 B10R0.1 C=COCCOC(C)CCC 34a_100000033082_100000766640 [0,1,0,0,0,0|1,0,2]=4 2440 B10R0.1 C=COCCOC(C)CCC 34a_100000764384_100000039644 [0,1,0,0,0,0|1,0,2]=4 2441 B10R0.1 C=COCCOC(C)CCC 7a_100000764384_100000039644 [0,1,0,0,0,0|1,0,2]=4 2442 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [0,1,0,0,0,0|0,0,3]=4 2443 B10R0.1 CC#CC(C)OCCCCC 34a_100011216543_100000718602 [0,1,0,0,0,0|0,0,2]=3 2444 B10R0.1 CC#CC(C)OCCCCF 34a_100011216543_100000729493 [0,1,0,0,0,0|1,0,2]=4 2445 B10R0.1 CC#CC(C)OCCCCO 34a_100011216543_100011216708 [0,1,0,0,0,0|1,0,2]=4 2446 B10R0.1 CC#CC(C)OCCCOC 34a_100011216543_100000740836 [0,1,0,0,0,0|1,0,2]=4 2447 B10R0.1 CC#CC(C)OCCOCC 34a_100011216543_100000210147 [0,1,0,0,0,0|1,0,2]=4 2448 B10R0.1 CC#CC(C)OCCSCC 34a_100011216543_100000757381 [0,1,0,0,0,0|1,0,2]=4 2449 B10R0.1 CC#CCCOC(C)CCC 34a_100000750427_100000766640 [0,1,0,0,0,0|0,0,2]=3 2450 B10R0.1 CC#CCCOC(C)CCO 34a_100000750427_100009893172 [0,1,0,0,0,0|1,0,2]=4 2451 B10R0.1 CC#CCCOC(C)COC 34a_100000750427_100000765312 [0,1,0,0,0,0|1,0,2]=4 2452 B10R0.1 CC#CCNCC(C)CCC 2230a_100000685387_100011216630 [0,1,0,0,0,0|1,0,2]=4 2453 B10R0.1 CC#CCNCC(C)CCC 34a_100000685387_100011216630 [0,1,0,0,0,0|1,0,2]=4 2454 B10R0.1 CC#CCOCC(C)CCC 34a_100000688023_100000748600 [0,1,0,0,0,0|0,0,2]=3 2455 B10R0.1 CC#CCOCC(C)CCC 34a_100000761923_100011216630 [0,1,0,0,0,0|0,0,2]=3 2456 B10R0.1 CC#CCOCC(C)CCC 7a_100000688023_100000748600 [0,1,0,0,0,0|0,0,2]=3 2457 B10R0.1 CC#CCOCC(C)CCN 34a_106354213184_100000748600 [0,1,0,0,0,0|1,0,2]=4 2458 B10R0.1 CC#CCOCC(N)COC 34a_100000724102_100000748600 [0,1,0,0,0,0|1,0,2]=4 2459 B10R0.1 CC#CCOCC(O)COC 34a_100000761923_100011215053 [0,1,0,0,0,0|1,0,2]=4 2460 B10R0.1 CC#CCOC[C@@H](N)CCC 34a_100000732646_100000748600 [0,1,0,0,0,0|0,0,2]=3 2461 B10R0.1 CC#CCSCC(C)CCC 62a_100000748600_100011216630 [0,1,0,0,0,0|0,1,2]=4 2462 B10R0.1 CC#CCSCC(C)CCC 62a_100011216630_100000748600 [0,1,0,0,0,0|0,1,2]=4 2463 B10R0.1 CC(CC#N)OCCCCCl 7a_100000210776_100009813641 [0,1,0,0,0,0|2,0,1]=4 2464 B10R0.1 CC(CC#N)OCCCCF 7a_100011995726_100009813641 [0,1,0,0,0,0|2,0,1]=4 2465 B10R0.1 CC(CCBr)OCCCCF 34a_100012276601_100000729493 [0,1,0,0,0,0|2,0,0]=3 2466 B10R0.1 CC(CCBr)OCCCCO 34a_100012276601_100011216708 [0,1,0,0,0,0|2,0,0]=3 2467 B10R0.1 CC(CCN)COCCCF 34a_106354213184_100011934791 [0,1,0,0,0,0|2,0,0]=3 2468 B10R0.1 CC(CCN)COCCCO 34a_106354213184_100000230001 [0,1,0,0,0,0|2,0,0]=3 2469 B10R0.1 CC(CCO)NCCCCO 2230a_100000750430_100009893172 [0,1,0,0,0,0|3,0,0]=4 2470 B10R0.1 CC(CCO)NCCCCO 34a_100000750430_100009893172 [0,1,0,0,0,0|3,0,0]=4 2471 B10R0.1 CC(CCO)OCCCCBr 34a_100011216708_100009893172 [0,1,0,0,0,0|2,0,0]=3 2472 B10R0.1 CC(CCO)OCCCCCl 34a_100000210776_100009893172 [0,1,0,0,0,0|2,0,0]=3 2473 B10R0.1 CC(CCO)OCCCCCl 7a_100000210776_100009893172 [0,1,0,0,0,0|2,0,0]=3 2474 B10R0.1 CC(CCO)OCCCCF 34a_100011995726_100009893172 [0,1,0,0,0,0|2,0,0]=3 2475 B10R0.1 CC(CCO)OCCCCF 7a_100011995726_100009893172 [0,1,0,0,0,0|2,0,0]=3 2476 B10R0.1 CC(CCO)OCCCCI 34a_200012148704_100009893172 [0,1,0,0,0,0|2,0,0]=3 2477 B10R0.1 CC(CCO)OCCCCN 34a_100000750430_100009893172 [0,1,0,0,0,0|2,0,0]=3 2478 B10R0.1 CC(CCO)SCCCCF 62a_100000729493_100009893172 [0,1,0,0,0,0|2,1,0]=4 2479 B10R0.1 CC(CCO)SCCCCF 62a_100009893172_100000729493 [0,1,0,0,0,0|2,1,0]=4 2480 B10R0.1 CC(CCO)SCCCCO 62a_100000210776_100009893172 [0,1,0,0,0,0|2,1,0]=4 2481 B10R0.1 CC(CCO)SCCCCO 62a_100009893172_100000210776 [0,1,0,0,0,0|2,1,0]=4 2482 B10R0.1 CC/C=C\CNC(C)CCC 2230a_100000741246_100103147603 [0,1,0,0,0,0|1,0,2]=4 2483 B10R0.1 CC/C=C\COC(C)CCBr 34a_100012276601_100103147603 [0,1,0,0,0,0|1,0,2]=4 2484 B10R0.1 CC/C=C\COC(C)CCC 34a_100000764384_100103147603 [0,1,0,0,0,0|0,0,2]=3 2485 B10R0.1 CC/C=C\COC(C)CCC 34a_100016268518_100000766640 [0,1,0,0,0,0|0,0,2]=3 2486 B10R0.1 CC/C=C\COC(C)CCC 7a_100000764384_100103147603 [0,1,0,0,0,0|0,0,2]=3 2487 B10R0.1 CC/C=C\COC(C)CCO 34a_100016268518_100009893172 [0,1,0,0,0,0|1,0,2]=4 2488 B10R0.1 CC/C=C\COC(C)COC 34a_100016268518_100000765312 [0,1,0,0,0,0|1,0,2]=4 2489 B10R0.1 CC/C=C\CO[C@H](C)COC 34a_100011934205_100103147603 [0,1,0,0,0,0|1,0,2]=4 2490 B10R0.1 CC/C=C\CSC(C)CCC 62a_100000766640_100103147603 [0,1,0,0,0,0|0,1,2]=4 2491 B10R0.1 CC/C=C\CSC(C)CCC 62a_100103147603_100000766640 [0,1,0,0,0,0|0,1,2]=4 2492 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [0,1,0,0,0,0|0,0,3]=4 2493 B10R0.1 CC=CCOCC(C)CCC 34a_100000688023_100000070051 [0,1,0,0,0,0|0,0,2]=3 2494 B10R0.1 CC=CCOCC(C)CCC 7a_100000688023_100000070051 [0,1,0,0,0,0|0,0,2]=3 2495 B10R0.1 CC=CCOCC(C)CCN 34a_106354213184_100000070051 [0,1,0,0,0,0|1,0,2]=4 2496 B10R0.1 CC=CCOCC(N)COC 34a_100000724102_100000070051 [0,1,0,0,0,0|1,0,2]=4 2497 B10R0.1 CC=CCOC[C@@H](N)CCC 34a_100000732646_100000070051 [0,1,0,0,0,0|0,0,2]=3 2498 B10R0.1 CC=CCSCC(C)CCC 62a_100000070051_100011216630 [0,1,0,0,0,0|0,1,2]=4 2499 B10R0.1 CC=CCSCC(C)CCC 62a_100011216630_100000070051 [0,1,0,0,0,0|0,1,2]=4 2500 B10R0.1 CCC#CCNC(C)CCC 2230a_100000741246_100009813939 [0,1,0,0,0,0|1,0,2]=4 2501 B10R0.1 CCC#CCOC(C)CCBr 34a_100012276601_100009813939 [0,1,0,0,0,0|1,0,2]=4 2502 B10R0.1 CCC#CCOC(C)CCC 34a_100000032950_100000766640 [0,1,0,0,0,0|0,0,2]=3 2503 B10R0.1 CCC#CCOC(C)CCC 34a_100000764384_100009813939 [0,1,0,0,0,0|0,0,2]=3 2504 B10R0.1 CCC#CCOC(C)CCC 7a_100000764384_100009813939 [0,1,0,0,0,0|0,0,2]=3 2505 B10R0.1 CCC#CCOC(C)CCO 34a_100000032950_100009893172 [0,1,0,0,0,0|1,0,2]=4 2506 B10R0.1 CCC#CCOC(C)COC 34a_100000032950_100000765312 [0,1,0,0,0,0|1,0,2]=4 2507 B10R0.1 CCC#CCO[C@H](C)COC 34a_100011934205_100009813939 [0,1,0,0,0,0|1,0,2]=4 2508 B10R0.1 CCC#CCSC(C)CCC 62a_100000766640_100009813939 [0,1,0,0,0,0|0,1,2]=4 2509 B10R0.1 CCC#CCSC(C)CCC 62a_100009813939_100000766640 [0,1,0,0,0,0|0,1,2]=4 2510 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [0,1,0,0,0,0|1,0,2]=4 2511 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,1,0,0,0,0|2,0,1]=4 2512 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,1,0,0,0,0|2,0,1]=4 2513 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,1,0,0,0,0|2,0,1]=4 2514 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,1,0,0,0,0|2,0,1]=4 2515 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,1,0,0,0,0|2,0,1]=4 2516 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [0,1,0,0,0,0|2,0,1]=4 2517 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [0,1,0,0,0,0|2,0,1]=4 2518 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [0,1,0,0,0,0|2,0,1]=4 2519 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [0,1,0,0,0,0|1,0,1]=3 2520 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [0,1,0,0,0,0|1,0,1]=3 2521 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [0,1,0,0,0,0|1,1,1]=4 2522 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [0,1,0,0,0,0|1,1,1]=4 2523 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [0,1,0,0,0,0|1,1,1]=4 2524 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [0,1,0,0,0,0|1,1,1]=4 2525 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [0,1,0,0,0,0|1,1,1]=4 2526 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [0,1,0,0,0,0|1,1,1]=4 2527 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [0,1,0,0,0,0|1,1,1]=4 2528 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [0,1,0,0,0,0|1,1,1]=4 2529 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [0,1,0,0,0,0|1,1,1]=4 2530 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [0,1,0,0,0,0|1,1,1]=4 2531 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [0,1,0,0,0,0|2,0,1]=4 2532 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [0,1,0,0,0,0|2,0,1]=4 2533 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [0,1,0,0,0,0|2,0,1]=4 2534 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [0,1,0,0,0,0|2,0,1]=4 2535 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [0,1,0,0,0,0|2,0,1]=4 2536 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [0,1,0,0,0,0|2,0,1]=4 2537 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [0,1,0,0,0,0|2,0,1]=4 2538 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [0,1,0,0,0,0|2,0,1]=4 2539 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [0,1,0,0,0,0|2,0,1]=4 2540 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [0,1,0,0,0,0|2,0,1]=4 2541 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [0,1,0,0,0,0|2,0,1]=4 2542 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [0,1,0,0,0,0|2,0,1]=4 2543 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [0,1,0,0,0,0|2,0,1]=4 2544 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [0,1,0,0,0,0|2,0,1]=4 2545 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [0,1,0,0,0,0|2,0,1]=4 2546 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [0,1,0,0,0,0|2,0,1]=4 2547 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [0,1,0,0,0,0|2,0,1]=4 2548 B10R0.1 CCCC(=O)OCNCCF 34a_100000724931_100000034017 [0,1,0,0,0,0|2,0,1]=4 2549 B10R0.1 CCCC(=O)OCNCCO 2230a_100016997473_100000034017 [0,1,0,0,0,0|2,0,1]=4 2550 B10R0.1 CCCC(=O)OCNCCO 34a_100016990907_100000034017 [0,1,0,0,0,0|2,0,1]=4 2551 B10R0.1 CCCC(=O)OCOCCBr 34a_100000211926_100000034017 [0,1,0,0,0,0|2,0,1]=4 2552 B10R0.1 CCCC(=O)OCOCCN 34a_100000210304_100000034017 [0,1,0,0,0,0|2,0,1]=4 2553 B10R0.1 CCCC(=O)OCSCCF 62a_100011217306_100000034017 [0,1,0,0,0,0|2,0,1]=4 2554 B10R0.1 CCCC(=O)OCSCCO 62a_100000211926_100000034017 [0,1,0,0,0,0|2,0,1]=4 2555 B10R0.1 CCCC(=O)OCSCOC 62a_100000766300_100000034017 [0,1,0,0,0,0|2,0,1]=4 2556 B10R0.1 CCCC(=O)OCSCSC 62a_100011218213_100000034017 [0,1,0,0,0,0|2,0,1]=4 2557 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [0,1,0,0,0,0|2,0,0]=3 2558 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [0,1,0,0,0,0|2,0,0]=3 2559 B10R0.1 CCCC(C)CCCOCF 34a_100011713154_100015361967 [0,1,0,0,0,0|3,0,0]=4 2560 B10R0.1 CCCC(C)CCCOCF 7a_100011713154_100015361967 [0,1,0,0,0,0|3,0,0]=4 2561 B10R0.1 CCCC(C)CCOCCF 34a_100011217855_100011217306 [0,1,0,0,0,0|3,0,0]=4 2562 B10R0.1 CCCC(C)CCOCCF 7a_100011217855_100011217306 [0,1,0,0,0,0|3,0,0]=4 2563 B10R0.1 CCCC(C)CCOCCO 34a_100011217855_100000211926 [0,1,0,0,0,0|3,0,0]=4 2564 B10R0.1 CCCC(C)CCOCCO 7a_100011217855_100000211926 [0,1,0,0,0,0|3,0,0]=4 2565 B10R0.1 CCCC(C)CCOCSC 34a_100011217855_100011218213 [0,1,0,0,0,0|3,0,0]=4 2566 B10R0.1 CCCC(C)CNCCC#N 270004a_100000720768_100000243154 [0,1,0,0,0,0|2,0,1]=4 2567 B10R0.1 CCCC(C)CNCCCF 2230a_100015189416_100011216630 [0,1,0,0,0,0|2,0,0]=3 2568 B10R0.1 CCCC(C)CNCCCF 270004a_100015189416_100000243154 [0,1,0,0,0,0|2,0,0]=3 2569 B10R0.1 CCCC(C)CNCCCF 34a_100015189416_100011216630 [0,1,0,0,0,0|2,0,0]=3 2570 B10R0.1 CCCC(C)CNCCCO 270004a_100000182051_100000243154 [0,1,0,0,0,0|2,0,0]=3 2571 B10R0.1 CCCC(C)CNCCOC 2230a_100000209980_100011216630 [0,1,0,0,0,0|2,0,0]=3 2572 B10R0.1 CCCC(C)CNCCOC 270004a_100000209980_100000243154 [0,1,0,0,0,0|2,0,0]=3 2573 B10R0.1 CCCC(C)CNCCSC 2230a_100020590264_100011216630 [0,1,0,0,0,0|2,0,0]=3 2574 B10R0.1 CCCC(C)CNCCSC 270004a_100020590264_100000243154 [0,1,0,0,0,0|2,0,0]=3 2575 B10R0.1 CCCC(C)COCCC#N 7a_100000688023_100000184422 [0,1,0,0,0,0|1,0,1]=3 2576 B10R0.1 CCCC(C)COCCCBr 34a_100011217188_100011216630 [0,1,0,0,0,0|1,0,0]=2 2577 B10R0.1 CCCC(C)COCCCCl 34a_100000230001_100011216630 [0,1,0,0,0,0|1,0,0]=2 2578 B10R0.1 CCCC(C)COCCCF 34a_100000688023_100011934791 [0,1,0,0,0,0|1,0,0]=2 2579 B10R0.1 CCCC(C)COCCCF 34a_100000759539_100011216630 [0,1,0,0,0,0|1,0,0]=2 2580 B10R0.1 CCCC(C)COCCCF 7a_100000688023_100011934791 [0,1,0,0,0,0|1,0,0]=2 2581 B10R0.1 CCCC(C)COCCCN 34a_100000182051_100011216630 [0,1,0,0,0,0|1,0,0]=2 2582 B10R0.1 CCCC(C)COCCCO 34a_100000688023_100000230001 [0,1,0,0,0,0|1,0,0]=2 2583 B10R0.1 CCCC(C)COCCCO 7a_100000688023_100011215043 [0,1,0,0,0,0|1,0,0]=2 2584 B10R0.1 CCCC(C)COCCOC 34a_100000210237_100011216630 [0,1,0,0,0,0|1,0,0]=2 2585 B10R0.1 CCCC(C)COCCOC 34a_100000688023_100011201679 [0,1,0,0,0,0|1,0,0]=2 2586 B10R0.1 CCCC(C)COCCOC 7a_100000688023_100000233755 [0,1,0,0,0,0|1,0,0]=2 2587 B10R0.1 CCCC(C)COCCON 34a_100000700252_100011216630 [0,1,0,0,0,0|2,0,0]=3 2588 B10R0.1 CCCC(C)COCCSC 34a_100000230434_100011216630 [0,1,0,0,0,0|1,0,0]=2 2589 B10R0.1 CCCC(C)COCCSC 34a_100000688023_100000212216 [0,1,0,0,0,0|1,0,0]=2 2590 B10R0.1 CCCC(C)COCCSC 7a_100000230434_100011216630 [0,1,0,0,0,0|1,0,0]=2 2591 B10R0.1 CCCC(C)COCCSC 7a_100000688023_100000212216 [0,1,0,0,0,0|1,0,0]=2 2592 B10R0.1 CCCC(C)CSCCC#N 62a_100011215226_100011216630 [0,1,0,0,0,0|1,1,1]=4 2593 B10R0.1 CCCC(C)CSCCC#N 62a_100011216630_100011215226 [0,1,0,0,0,0|1,1,1]=4 2594 B10R0.1 CCCC(C)CSCCCF 62a_100011216630_100011934791 [0,1,0,0,0,0|1,1,0]=3 2595 B10R0.1 CCCC(C)CSCCCF 62a_100011934791_100011216630 [0,1,0,0,0,0|1,1,0]=3 2596 B10R0.1 CCCC(C)CSCCCO 62a_100011215043_100011216630 [0,1,0,0,0,0|1,1,0]=3 2597 B10R0.1 CCCC(C)CSCCCO 62a_100011216630_100011215043 [0,1,0,0,0,0|1,1,0]=3 2598 B10R0.1 CCCC(C)CSCCOC 62a_100000233755_100011216630 [0,1,0,0,0,0|1,1,0]=3 2599 B10R0.1 CCCC(C)CSCCOC 62a_100011216630_100000233755 [0,1,0,0,0,0|1,1,0]=3 2600 B10R0.1 CCCC(C)CSCCSC 62a_100000212216_100011216630 [0,1,0,0,0,0|1,1,0]=3 2601 B10R0.1 CCCC(C)CSCCSC 62a_100011216630_100000751147 [0,1,0,0,0,0|1,1,0]=3 2602 B10R0.1 CCCC(C)CSCOCC 62a_100000739092_100011216630 [0,1,0,0,0,0|1,1,0]=3 2603 B10R0.1 CCCC(C)CSCOCC 62a_100011216630_100000739092 [0,1,0,0,0,0|1,1,0]=3 2604 B10R0.1 CCCC(C)NCCCC#N 2230a_100000741246_100000687738 [0,1,0,0,0,0|2,0,1]=4 2605 B10R0.1 CCCC(C)NCCCC=O 2230a_100000741246_200011292268 [0,1,0,0,0,0|2,0,1]=4 2606 B10R0.1 CCCC(C)NCCCCF 2230a_100000741246_100000729493 [0,1,0,0,0,0|2,0,0]=3 2607 B10R0.1 CCCC(C)NCCCCO 2230a_100000741246_100000210776 [0,1,0,0,0,0|2,0,0]=3 2608 B10R0.1 CCCC(C)NCCCCO 2230a_100000750430_100000766640 [0,1,0,0,0,0|2,0,0]=3 2609 B10R0.1 CCCC(C)NCCCCO 270004a_100000750430_100000211909 [0,1,0,0,0,0|2,0,0]=3 2610 B10R0.1 CCCC(C)NCCCCO 34a_100000750430_100000766640 [0,1,0,0,0,0|2,0,0]=3 2611 B10R0.1 CCCC(C)NCCCOC 2230a_100000741246_100000740836 [0,1,0,0,0,0|2,0,0]=3 2612 B10R0.1 CCCC(C)NCCCOC 270004a_100150723488_100000211909 [0,1,0,0,0,0|2,0,0]=3 2613 B10R0.1 CCCC(C)NCCCOC 34a_100150723488_100000766640 [0,1,0,0,0,0|2,0,0]=3 2614 B10R0.1 CCCC(C)NCCCSC 2230a_100000749238_100000766640 [0,1,0,0,0,0|2,0,0]=3 2615 B10R0.1 CCCC(C)NCCCSC 270004a_100000749238_100000211909 [0,1,0,0,0,0|2,0,0]=3 2616 B10R0.1 CCCC(C)NCCOCC 2230a_100000741246_100011215890 [0,1,0,0,0,0|2,0,0]=3 2617 B10R0.1 CCCC(C)NCCOCC 2230a_102516460346_100000766640 [0,1,0,0,0,0|2,0,0]=3 2618 B10R0.1 CCCC(C)NCCOCC 270004a_102516460346_100000211909 [0,1,0,0,0,0|2,0,0]=3 2619 B10R0.1 CCCC(C)NCCOCC 34a_102516460346_100000766640 [0,1,0,0,0,0|2,0,0]=3 2620 B10R0.1 CCCC(C)NCCSCC 2230a_100000106463_100000766640 [0,1,0,0,0,0|2,0,0]=3 2621 B10R0.1 CCCC(C)NCCSCC 2230a_100000741246_100000757381 [0,1,0,0,0,0|2,0,0]=3 2622 B10R0.1 CCCC(C)NCCSCC 270004a_100000106463_100000211909 [0,1,0,0,0,0|2,0,0]=3 2623 B10R0.1 CCCC(C)OCC#CCCl 34a_200000047223_100000766640 [0,1,0,0,0,0|1,0,2]=4 2624 B10R0.1 CCCC(C)OCC#CCO 34a_100000764384_200000047223 [0,1,0,0,0,0|1,0,2]=4 2625 B10R0.1 CCCC(C)OCC#CCO 7a_100000764384_200000047223 [0,1,0,0,0,0|1,0,2]=4 2626 B10R0.1 CCCC(C)OCCCC#N 7a_100000764384_100000687738 [0,1,0,0,0,0|1,0,1]=3 2627 B10R0.1 CCCC(C)OCCCC=O 7a_100000764384_200011292268 [0,1,0,0,0,0|1,0,1]=3 2628 B10R0.1 CCCC(C)OCCCCBr 34a_100011216708_100000766640 [0,1,0,0,0,0|1,0,0]=2 2629 B10R0.1 CCCC(C)OCCCCCl 34a_100000210776_100000766640 [0,1,0,0,0,0|1,0,0]=2 2630 B10R0.1 CCCC(C)OCCCCCl 7a_100000210776_100000766640 [0,1,0,0,0,0|1,0,0]=2 2631 B10R0.1 CCCC(C)OCCCCF 34a_100000764384_100000729493 [0,1,0,0,0,0|1,0,0]=2 2632 B10R0.1 CCCC(C)OCCCCF 34a_100011995726_100000766640 [0,1,0,0,0,0|1,0,0]=2 2633 B10R0.1 CCCC(C)OCCCCF 7a_100000764384_100000729493 [0,1,0,0,0,0|1,0,0]=2 2634 B10R0.1 CCCC(C)OCCCCF 7a_100011995726_100000766640 [0,1,0,0,0,0|1,0,0]=2 2635 B10R0.1 CCCC(C)OCCCCI 34a_200012148704_100000766640 [0,1,0,0,0,0|1,0,0]=2 2636 B10R0.1 CCCC(C)OCCCCN 34a_100000750430_100000766640 [0,1,0,0,0,0|1,0,0]=2 2637 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [0,1,0,0,0,0|1,0,0]=2 2638 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [0,1,0,0,0,0|1,0,0]=2 2639 B10R0.1 CCCC(C)OCCCNC 34a_100000213112_100000766640 [0,1,0,0,0,0|1,0,0]=2 2640 B10R0.1 CCCC(C)OCCCOC 34a_100000740835_100000766640 [0,1,0,0,0,0|1,0,0]=2 2641 B10R0.1 CCCC(C)OCCCOC 34a_100000764384_100000740836 [0,1,0,0,0,0|1,0,0]=2 2642 B10R0.1 CCCC(C)OCCCOC 7a_100000764384_100000740836 [0,1,0,0,0,0|1,0,0]=2 2643 B10R0.1 CCCC(C)OCCCSC 34a_100000690336_100000766640 [0,1,0,0,0,0|1,0,0]=2 2644 B10R0.1 CCCC(C)OCCCSC 7a_100000690336_100000766640 [0,1,0,0,0,0|1,0,0]=2 2645 B10R0.1 CCCC(C)OCCOCC 34a_100000210136_100000766640 [0,1,0,0,0,0|1,0,0]=2 2646 B10R0.1 CCCC(C)OCCOCC 34a_100000764384_100000210147 [0,1,0,0,0,0|1,0,0]=2 2647 B10R0.1 CCCC(C)OCCOCC 7a_100000210136_100000766640 [0,1,0,0,0,0|1,0,0]=2 2648 B10R0.1 CCCC(C)OCCOCC 7a_100000764384_100011215890 [0,1,0,0,0,0|1,0,0]=2 2649 B10R0.1 CCCC(C)OCCSCC 34a_100000212035_100000766640 [0,1,0,0,0,0|1,0,0]=2 2650 B10R0.1 CCCC(C)OCCSCC 34a_100000764384_100000757381 [0,1,0,0,0,0|1,0,0]=2 2651 B10R0.1 CCCC(C)OCCSCC 7a_100000212035_100000766640 [0,1,0,0,0,0|1,0,0]=2 2652 B10R0.1 CCCC(C)OCCSCC 7a_100000764384_100000757381 [0,1,0,0,0,0|1,0,0]=2 2653 B10R0.1 CCCC(C)SCCCC#N 62a_100000687738_100000766640 [0,1,0,0,0,0|1,1,1]=4 2654 B10R0.1 CCCC(C)SCCCC#N 62a_100000766640_100000687738 [0,1,0,0,0,0|1,1,1]=4 2655 B10R0.1 CCCC(C)SCCCC=O 62a_100000766640_200011292268 [0,1,0,0,0,0|1,1,1]=4 2656 B10R0.1 CCCC(C)SCCCC=O 62a_200011292268_100000766640 [0,1,0,0,0,0|1,1,1]=4 2657 B10R0.1 CCCC(C)SCCCCF 62a_100000729493_100000766640 [0,1,0,0,0,0|1,1,0]=3 2658 B10R0.1 CCCC(C)SCCCCF 62a_100000766640_100000729493 [0,1,0,0,0,0|1,1,0]=3 2659 B10R0.1 CCCC(C)SCCCCO 62a_100000210776_100000766640 [0,1,0,0,0,0|1,1,0]=3 2660 B10R0.1 CCCC(C)SCCCCO 62a_100000766640_100000210776 [0,1,0,0,0,0|1,1,0]=3 2661 B10R0.1 CCCC(C)SCCCOC 62a_100000709357_100000766640 [0,1,0,0,0,0|1,1,0]=3 2662 B10R0.1 CCCC(C)SCCCOC 62a_100000766640_100000709357 [0,1,0,0,0,0|1,1,0]=3 2663 B10R0.1 CCCC(C)SCCOCC 62a_100000210147_100000766640 [0,1,0,0,0,0|1,1,0]=3 2664 B10R0.1 CCCC(C)SCCOCC 62a_100000766640_100011215890 [0,1,0,0,0,0|1,1,0]=3 2665 B10R0.1 CCCC(C)SCCSCC 62a_100000757381_100000766640 [0,1,0,0,0,0|1,1,0]=3 2666 B10R0.1 CCCC(C)SCCSCC 62a_100000766640_100000757381 [0,1,0,0,0,0|1,1,0]=3 2667 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [0,1,0,0,0,0|1,0,2]=4 2668 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,1,0,0,0,0|1,0,1]=3 2669 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,1,0,0,0,0|1,0,1]=3 2670 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,1,0,0,0,0|2,0,1]=4 2671 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,1,0,0,0,0|2,0,1]=4 2672 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,1,0,0,0,0|2,0,1]=4 2673 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,1,0,0,0,0|2,0,1]=4 2674 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,1,0,0,0,0|2,0,1]=4 2675 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,1,0,0,0,0|2,0,1]=4 2676 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,1,0,0,0,0|2,0,1]=4 2677 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,1,0,0,0,0|2,0,1]=4 2678 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [0,1,0,0,0,0|2,0,0]=3 2679 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [0,1,0,0,0,0|2,0,0]=3 2680 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [0,1,0,0,0,0|2,0,0]=3 2681 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [0,1,0,0,0,0|2,0,0]=3 2682 B10R0.1 CCCCCCC(C)NCF 34a_100000210919_100015361967 [0,1,0,0,0,0|3,0,0]=4 2683 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [0,1,0,0,0,0|2,0,0]=3 2684 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [0,1,0,0,0,0|2,0,0]=3 2685 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [0,1,0,0,0,0|2,0,0]=3 2686 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [0,1,0,0,0,0|3,0,0]=4 2687 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [0,1,0,0,0,0|3,0,0]=4 2688 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [0,1,0,0,0,0|2,0,0]=3 2689 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [0,1,0,0,0,0|2,0,0]=3 2690 B10R0.1 CCCCCCC(C)SCF 62a_100011215978_100015361967 [0,1,0,0,0,0|3,0,0]=4 2691 B10R0.1 CCCCCCC(C)SCF 62a_100015361967_100011215978 [0,1,0,0,0,0|3,0,0]=4 2692 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [0,1,0,0,0,0|2,0,0]=3 2693 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [0,1,0,0,0,0|2,0,0]=3 2694 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [0,1,0,0,0,0|2,0,0]=3 2695 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [0,1,0,0,0,0|2,0,0]=3 2696 B10R0.1 CCCCCCN(C)CCF 2230a_106256046315_100011217306 [0,1,0,0,0,0|3,0,0]=4 2697 B10R0.1 CCCCCCN(C)CCF 269982a_106256046315_100011217306 [0,1,0,0,0,0|3,0,0]=4 2698 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [0,1,0,0,0,0|3,0,0]=4 2699 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [0,1,0,0,0,0|3,0,0]=4 2700 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [0,1,0,0,0,0|3,0,0]=4 2701 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [0,1,0,0,0,0|3,0,0]=4 2702 B10R0.1 CCCCCCN(C)COC 2230a_106256046315_100000766300 [0,1,0,0,0,0|3,0,0]=4 2703 B10R0.1 CCCCCCN(C)COC 269982a_106256046315_100000766300 [0,1,0,0,0,0|3,0,0]=4 2704 B10R0.1 CCCCCCN(C)CSC 2230a_106256046315_100011218213 [0,1,0,0,0,0|3,0,0]=4 2705 B10R0.1 CCCCCCN(C)CSC 269982a_106256046315_100011218213 [0,1,0,0,0,0|3,0,0]=4 2706 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,1,0,0,0,0|1,0,1]=3 2707 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,1,0,0,0,0|1,0,1]=3 2708 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,1,0,0,0,0|1,0,1]=3 2709 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,1,0,0,0,0|1,0,1]=3 2710 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,1,0,0,0,0|2,0,1]=4 2711 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,1,0,0,0,0|2,0,1]=4 2712 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,1,0,0,0,0|2,0,1]=4 2713 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,1,0,0,0,0|2,0,1]=4 2714 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,1,0,0,0,0|2,0,1]=4 2715 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,1,0,0,0,0|2,0,1]=4 2716 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,1,0,0,0,0|2,0,1]=4 2717 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,1,0,0,0,0|2,0,1]=4 2718 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,1,0,0,0,0|2,0,1]=4 2719 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,1,0,0,0,0|2,0,1]=4 2720 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,1,0,0,0,0|2,0,1]=4 2721 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,1,0,0,0,0|2,0,1]=4 2722 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,1,0,0,0,0|2,0,1]=4 2723 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,1,0,0,0,0|2,0,1]=4 2724 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,1,0,0,0,0|2,0,1]=4 2725 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,1,0,0,0,0|2,0,1]=4 2726 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,1,0,0,0,0|2,0,1]=4 2727 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,1,0,0,0,0|2,0,1]=4 2728 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,1,0,0,0,0|2,0,1]=4 2729 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,1,0,0,0,0|2,0,1]=4 2730 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,1,0,0,0,0|2,0,1]=4 2731 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,1,0,0,0,0|2,0,1]=4 2732 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,1,0,0,0,0|2,0,1]=4 2733 B10R0.1 CCCCCNC(C)CC#N 2230a_100000209983_100009813641 [0,1,0,0,0,0|2,0,1]=4 2734 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [0,1,0,0,0,0|1,0,0]=2 2735 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [0,1,0,0,0,0|1,0,0]=2 2736 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [0,1,0,0,0,0|1,0,0]=2 2737 B10R0.1 CCCCCNC(C)CCO 2230a_100000209983_100009893172 [0,1,0,0,0,0|2,0,0]=3 2738 B10R0.1 CCCCCNC(C)COC 2230a_100000209983_100000765312 [0,1,0,0,0,0|2,0,0]=3 2739 B10R0.1 CCCCCNC(C)COC 270004a_100000209983_100000749346 [0,1,0,0,0,0|2,0,0]=3 2740 B10R0.1 CCCCCNC(C)CSC 270004a_100000209983_100011216314 [0,1,0,0,0,0|2,0,0]=3 2741 B10R0.1 CCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210326 [0,1,0,0,0,0|2,0,1]=4 2742 B10R0.1 CCCCCN[C@H](C)CCO 2230a_100000706166_100000210326 [0,1,0,0,0,0|2,0,0]=3 2743 B10R0.1 CCCCCN[C@H](C)CCO 34a_100000706166_100000718602 [0,1,0,0,0,0|2,0,0]=3 2744 B10R0.1 CCCCCN[C@H](C)COC 2230a_100000764878_100000210326 [0,1,0,0,0,0|2,0,0]=3 2745 B10R0.1 CCCCCOC(C)CC#N 7a_100000210253_100009813641 [0,1,0,0,0,0|1,0,1]=3 2746 B10R0.1 CCCCCOC(C)CCBr 34a_100012276601_100000718602 [0,1,0,0,0,0|1,0,0]=2 2747 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [0,1,0,0,0,0|0,0,0]=1 2748 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [0,1,0,0,0,0|0,0,0]=1 2749 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [0,1,0,0,0,0|0,0,0]=1 2750 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [0,1,0,0,0,0|0,0,0]=1 2751 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [0,1,0,0,0,0|1,0,0]=2 2752 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [0,1,0,0,0,0|1,0,0]=2 2753 B10R0.1 CCCCCOC(C)COC 34a_100000210253_100000765312 [0,1,0,0,0,0|1,0,0]=2 2754 B10R0.1 CCCCCOC(C)COC 7a_100000210253_100000765312 [0,1,0,0,0,0|1,0,0]=2 2755 B10R0.1 CCCCCO[C@H](C)COC 34a_100011934205_100000718602 [0,1,0,0,0,0|1,0,0]=2 2756 B10R0.1 CCCCCSC(C)CC#N 62a_100000210326_100009813641 [0,1,0,0,0,0|1,1,1]=4 2757 B10R0.1 CCCCCSC(C)CC#N 62a_100009813641_100000210326 [0,1,0,0,0,0|1,1,1]=4 2758 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [0,1,0,0,0,0|0,1,0]=2 2759 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [0,1,0,0,0,0|0,1,0]=2 2760 B10R0.1 CCCCCSC(C)CCO 62a_100000210326_100009893172 [0,1,0,0,0,0|1,1,0]=3 2761 B10R0.1 CCCCCSC(C)CCO 62a_100009893172_100000210326 [0,1,0,0,0,0|1,1,0]=3 2762 B10R0.1 CCCCCSC(C)COC 62a_100000210326_100000765312 [0,1,0,0,0,0|1,1,0]=3 2763 B10R0.1 CCCCCSC(C)COC 62a_100000765312_100000210326 [0,1,0,0,0,0|1,1,0]=3 2764 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,1,0,0,0,0|1,0,1]=3 2765 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,1,0,0,0,0|1,0,1]=3 2766 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,1,0,0,0,0|2,0,1]=4 2767 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,1,0,0,0,0|2,0,1]=4 2768 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,1,0,0,0,0|2,0,1]=4 2769 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,1,0,0,0,0|2,0,1]=4 2770 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,1,0,0,0,0|2,0,1]=4 2771 B10R0.1 CCCCNCC(C)CCC 2230a_100000102301_100011216630 [0,1,0,0,0,0|1,0,0]=2 2772 B10R0.1 CCCCNCC(C)CCC 270004a_100000102301_100000243154 [0,1,0,0,0,0|1,0,0]=2 2773 B10R0.1 CCCCNCC(C)CCC 7a_106832991798_100011216630 [0,1,0,0,0,0|1,0,0]=2 2774 B10R0.1 CCCCNCC(O)COC 2230a_100000756049_100000210211 [0,1,0,0,0,0|2,0,0]=3 2775 B10R0.1 CCCCNCC(O)COC 34a_100000756049_100000210210 [0,1,0,0,0,0|2,0,0]=3 2776 B10R0.1 CCCCNCC(O)COC 7a_106832991798_100011215053 [0,1,0,0,0,0|2,0,0]=3 2777 B10R0.1 CCCCNC[C@@H](O)CC#N 2230a_100000102301_100000001066 [0,1,0,0,0,0|2,0,1]=4 2778 B10R0.1 CCCCNC[C@@H](O)CC#N 7a_106832991798_100000001066 [0,1,0,0,0,0|2,0,1]=4 2779 B10R0.1 CCCCNN=C(C)CCC 4a_100025702795_100000211909 [0,1,0,0,0,0|2,0,1]=4 2780 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [0,1,0,0,0,0|2,0,1]=4 2781 B10R0.1 CCCCOCC(=O)CC#N 1458a_100000757543_100011214920 [0,1,0,0,0,0|1,0,2]=4 2782 B10R0.1 CCCCOCC(=O)CC#N 1458a_100051588842_100011995733 [0,1,0,0,0,0|1,0,2]=4 2783 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,1,0,0,0,0|0,0,1]=2 2784 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,1,0,0,0,0|0,0,1]=2 2785 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,1,0,0,0,0|0,0,1]=2 2786 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,1,0,0,0,0|1,0,1]=3 2787 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,1,0,0,0,0|1,0,1]=3 2788 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,1,0,0,0,0|1,0,1]=3 2789 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,1,0,0,0,0|1,0,1]=3 2790 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [0,1,0,0,0,0|1,0,1]=3 2791 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,1,0,0,0,0|1,0,1]=3 2792 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,1,0,0,0,0|1,0,1]=3 2793 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,1,0,0,0,0|1,0,1]=3 2794 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,1,0,0,0,0|1,0,1]=3 2795 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,1,0,0,0,0|1,0,1]=3 2796 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [0,1,0,0,0,0|2,0,1]=4 2797 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [0,1,0,0,0,0|2,0,1]=4 2798 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [0,1,0,0,0,0|2,0,1]=4 2799 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,1,0,0,0,0|1,0,1]=3 2800 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,1,0,0,0,0|1,0,1]=3 2801 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [0,1,0,0,0,0|0,0,0]=1 2802 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [0,1,0,0,0,0|0,0,0]=1 2803 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [0,1,0,0,0,0|0,0,0]=1 2804 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [0,1,0,0,0,0|0,0,0]=1 2805 B10R0.1 CCCCOCC(C)CCN 34a_106354213184_100000210210 [0,1,0,0,0,0|1,0,0]=2 2806 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [0,1,0,0,0,0|1,0,0]=2 2807 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [0,1,0,0,0,0|1,0,0]=2 2808 B10R0.1 CCCCOCC(C)OCF 34a_100011217071_100015361967 [0,1,0,0,0,0|2,0,0]=3 2809 B10R0.1 CCCCOCC(C)OCF 7a_100011217071_100015361967 [0,1,0,0,0,0|2,0,0]=3 2810 B10R0.1 CCCCOCC(N)COC 34a_100000724102_100000210210 [0,1,0,0,0,0|1,0,0]=2 2811 B10R0.1 CCCCOCC(O)COC 34a_100000210227_100011215053 [0,1,0,0,0,0|1,0,0]=2 2812 B10R0.1 CCCCOCC(O)COC 7a_100000210227_100011215053 [0,1,0,0,0,0|1,0,0]=2 2813 B10R0.1 CCCCOCN(C)CC#N 2230a_100000748184_100011995733 [0,1,0,0,0,0|2,0,1]=4 2814 B10R0.1 CCCCOCN(C)CCC 2230a_100000747261_100011995733 [0,1,0,0,0,0|1,0,0]=2 2815 B10R0.1 CCCCOCN(C)CCC 269982a_100000747261_100011995733 [0,1,0,0,0,0|1,0,0]=2 2816 B10R0.1 CCCCOCN(C)CCO 2230a_100000210263_100011995733 [0,1,0,0,0,0|2,0,0]=3 2817 B10R0.1 CCCCOCN(C)CCO 269982a_100000210263_100011995733 [0,1,0,0,0,0|2,0,0]=3 2818 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [0,1,0,0,0,0|0,0,0]=1 2819 B10R0.1 CCCCOC[C@@H](O)CC#N 7a_100000210227_100000001066 [0,1,0,0,0,0|1,0,1]=3 2820 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,1,0,0,0,0|0,1,1]=3 2821 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,1,0,0,0,0|0,1,1]=3 2822 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,1,0,0,0,0|0,1,1]=3 2823 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,1,0,0,0,0|1,1,1]=4 2824 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,1,0,0,0,0|1,1,1]=4 2825 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,1,0,0,0,0|1,1,1]=4 2826 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,1,0,0,0,0|1,1,1]=4 2827 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,1,0,0,0,0|1,1,1]=4 2828 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,1,0,0,0,0|1,1,1]=4 2829 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,1,0,0,0,0|1,1,1]=4 2830 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,1,0,0,0,0|1,1,1]=4 2831 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,1,0,0,0,0|1,1,1]=4 2832 B10R0.1 CCCCSCC(C)CCC 62a_100000210211_100011216630 [0,1,0,0,0,0|0,1,0]=2 2833 B10R0.1 CCCCSCC(C)CCC 62a_100011216630_100000210210 [0,1,0,0,0,0|0,1,0]=2 2834 B10R0.1 CCCCSCC(O)COC 62a_100000210211_100011215053 [0,1,0,0,0,0|1,1,0]=3 2835 B10R0.1 CCCCSCC(O)COC 62a_100011215053_100000210210 [0,1,0,0,0,0|1,1,0]=3 2836 B10R0.1 CCCCSC[C@@H](O)CC#N 62a_100000001066_100000210210 [0,1,0,0,0,0|1,1,1]=4 2837 B10R0.1 CCCCSC[C@@H](O)CC#N 62a_100000210211_100000001066 [0,1,0,0,0,0|1,1,1]=4 2838 B10R0.1 CCCN(C)CCCCCF 2230a_100000747261_100000729378 [0,1,0,0,0,0|3,0,0]=4 2839 B10R0.1 CCCN(C)CCCCCF 269982a_100000747261_100000729378 [0,1,0,0,0,0|3,0,0]=4 2840 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [0,1,0,0,0,0|3,0,0]=4 2841 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [0,1,0,0,0,0|3,0,0]=4 2842 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [0,1,0,0,0,0|3,0,0]=4 2843 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [0,1,0,0,0,0|3,0,0]=4 2844 B10R0.1 CCCN(C)CCCCOC 2230a_100000747261_100000730899 [0,1,0,0,0,0|3,0,0]=4 2845 B10R0.1 CCCN(C)CCCCOC 269982a_100000747261_100000730899 [0,1,0,0,0,0|3,0,0]=4 2846 B10R0.1 CCCN(C)CCCOCC 2230a_100000747261_100012232248 [0,1,0,0,0,0|3,0,0]=4 2847 B10R0.1 CCCN(C)CCCOCC 269982a_100000747261_100012232248 [0,1,0,0,0,0|3,0,0]=4 2848 B10R0.1 CCCN(C)COCCOC 2230a_100000747261_100000231047 [0,1,0,0,0,0|2,0,0]=3 2849 B10R0.1 CCCN(C)COCCOC 269982a_100000747261_100000231047 [0,1,0,0,0,0|2,0,0]=3 2850 B10R0.1 CCCNN=CC(C)CCC 4a_100000740057_100000243154 [0,1,0,0,0,0|2,0,1]=4 2851 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,1,0,0,0,0|2,0,1]=4 2852 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [0,1,0,0,0,0|2,0,0]=3 2853 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [0,1,0,0,0,0|2,0,0]=3 2854 B10R0.1 CCCOCCN(C)CCC 2230a_100000747261_100011215938 [0,1,0,0,0,0|3,0,0]=4 2855 B10R0.1 CCCOCCN(C)CCC 269982a_100000747261_100011215938 [0,1,0,0,0,0|3,0,0]=4 2856 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [0,1,0,0,0,0|2,0,0]=3 2857 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [0,1,0,0,0,0|1,0,1]=3 2858 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [0,1,0,0,0,0|1,0,1]=3 2859 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,1,0,0,0,0|2,0,1]=4 2860 B10R0.1 CCC[C@H](N)CCOCCF 34a_100015193777_100011217306 [0,1,0,0,0,0|3,0,0]=4 2861 B10R0.1 CCC[C@H](N)CCOCCO 34a_100015193777_100000211926 [0,1,0,0,0,0|3,0,0]=4 2862 B10R0.1 CCC[C@H](N)CCOCSC 34a_100015193777_100011218213 [0,1,0,0,0,0|3,0,0]=4 2863 B10R0.1 CCC[C@H](N)COCCCF 34a_100000732646_100011934791 [0,1,0,0,0,0|1,0,0]=2 2864 B10R0.1 CCC[C@H](N)COCCCO 34a_100000732646_100000230001 [0,1,0,0,0,0|1,0,0]=2 2865 B10R0.1 CCC[C@H](N)COCCOC 34a_100000732646_100011201679 [0,1,0,0,0,0|1,0,0]=2 2866 B10R0.1 CCC[C@H](N)COCCSC 34a_100000732646_100000212216 [0,1,0,0,0,0|1,0,0]=2 2867 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [0,1,0,0,0,0|2,0,1]=4 2868 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [0,1,0,0,0,0|2,0,1]=4 2869 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [0,1,0,0,0,0|2,0,1]=4 2870 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [0,1,0,0,0,0|2,0,1]=4 2871 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [0,1,0,0,0,0|2,0,1]=4 2872 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [0,1,0,0,0,0|2,0,1]=4 2873 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [0,1,0,0,0,0|2,0,1]=4 2874 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [0,1,0,0,0,0|2,0,1]=4 2875 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [0,1,0,0,0,0|2,0,1]=4 2876 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [0,1,0,0,0,0|2,0,1]=4 2877 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [0,1,0,0,0,0|2,0,1]=4 2878 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [0,1,0,0,0,0|2,0,1]=4 2879 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [0,1,0,0,0,0|2,0,1]=4 2880 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [0,1,0,0,0,0|2,0,1]=4 2881 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [0,1,0,0,0,0|2,0,1]=4 2882 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [0,1,0,0,0,0|2,0,1]=4 2883 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [0,1,0,0,0,0|2,0,1]=4 2884 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [0,1,0,0,0,0|2,0,1]=4 2885 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [0,1,0,0,0,0|2,0,1]=4 2886 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,1,0,0,0,0|2,0,1]=4 2887 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,1,0,0,0,0|2,0,1]=4 2888 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,1,0,0,0,0|2,0,1]=4 2889 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,1,0,0,0,0|2,0,1]=4 2890 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,1,0,0,0,0|2,0,1]=4 2891 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,1,0,0,0,0|2,0,1]=4 2892 B10R0.1 CCOCCNC(C)CCO 2230a_102516460346_100009893172 [0,1,0,0,0,0|3,0,0]=4 2893 B10R0.1 CCOCCNC(C)CCO 34a_102516460346_100009893172 [0,1,0,0,0,0|3,0,0]=4 2894 B10R0.1 CCOCCNC(C)COC 2230a_102516460346_100000765312 [0,1,0,0,0,0|3,0,0]=4 2895 B10R0.1 CCOCCNC(C)COC 270004a_102516460346_100000749346 [0,1,0,0,0,0|3,0,0]=4 2896 B10R0.1 CCOCCNC(C)COC 34a_102516460346_100000765312 [0,1,0,0,0,0|3,0,0]=4 2897 B10R0.1 CCOCCNC(C)CSC 270004a_102516460346_100011216314 [0,1,0,0,0,0|3,0,0]=4 2898 B10R0.1 CCOCCN[C@H](C)CCO 2230a_100000706166_100011215890 [0,1,0,0,0,0|3,0,0]=4 2899 B10R0.1 CCOCCN[C@H](C)CCO 34a_100000706166_100000210147 [0,1,0,0,0,0|3,0,0]=4 2900 B10R0.1 CCOCCN[C@H](C)COC 2230a_100000764878_100011215890 [0,1,0,0,0,0|3,0,0]=4 2901 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [0,1,0,0,0,0|2,0,1]=4 2902 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [0,1,0,0,0,0|2,0,1]=4 2903 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [0,1,0,0,0,0|2,0,1]=4 2904 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [0,1,0,0,0,0|2,0,1]=4 2905 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [0,1,0,0,0,0|2,0,1]=4 2906 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [0,1,0,0,0,0|2,0,1]=4 2907 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [0,1,0,0,0,0|2,0,1]=4 2908 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [0,1,0,0,0,0|2,0,1]=4 2909 B10R0.1 CCOCCOC(C)CC#N 7a_100000210136_100009813641 [0,1,0,0,0,0|2,0,1]=4 2910 B10R0.1 CCOCCOC(C)CCBr 34a_100012276601_100000210147 [0,1,0,0,0,0|2,0,0]=3 2911 B10R0.1 CCOCCOC(C)CCO 34a_100000210136_100009893172 [0,1,0,0,0,0|2,0,0]=3 2912 B10R0.1 CCOCCOC(C)CCO 7a_100000210136_100009893172 [0,1,0,0,0,0|2,0,0]=3 2913 B10R0.1 CCOCCOC(C)COC 34a_100000210136_100000765312 [0,1,0,0,0,0|2,0,0]=3 2914 B10R0.1 CCOCCOC(C)COC 7a_100000210136_100000765312 [0,1,0,0,0,0|2,0,0]=3 2915 B10R0.1 CCOCCO[C@H](C)COC 34a_100011934205_100000210147 [0,1,0,0,0,0|2,0,0]=3 2916 B10R0.1 CCOCCSC(C)CCO 62a_100000210147_100009893172 [0,1,0,0,0,0|2,1,0]=4 2917 B10R0.1 CCOCCSC(C)CCO 62a_100009893172_100011215890 [0,1,0,0,0,0|2,1,0]=4 2918 B10R0.1 CCOCCSC(C)COC 62a_100000210147_100000765312 [0,1,0,0,0,0|2,1,0]=4 2919 B10R0.1 CCOCCSC(C)COC 62a_100000765312_100011215890 [0,1,0,0,0,0|2,1,0]=4 2920 B10R0.1 CCOCSCC(O)COC 62a_100000739092_100011215053 [0,1,0,0,0,0|2,1,0]=4 2921 B10R0.1 CCOCSCC(O)COC 62a_100011215053_100000739092 [0,1,0,0,0,0|2,1,0]=4 2922 B10R0.1 CCSCCNC(C)CCO 2230a_100000106463_100009893172 [0,1,0,0,0,0|3,0,0]=4 2923 B10R0.1 CCSCCNC(C)COC 2230a_100000106463_100000765312 [0,1,0,0,0,0|3,0,0]=4 2924 B10R0.1 CCSCCNC(C)COC 270004a_100000106463_100000749346 [0,1,0,0,0,0|3,0,0]=4 2925 B10R0.1 CCSCCNC(C)CSC 270004a_100000106463_100011216314 [0,1,0,0,0,0|3,0,0]=4 2926 B10R0.1 CCSCCN[C@H](C)CCO 2230a_100000706166_100000757381 [0,1,0,0,0,0|3,0,0]=4 2927 B10R0.1 CCSCCN[C@H](C)CCO 34a_100000706166_100000757381 [0,1,0,0,0,0|3,0,0]=4 2928 B10R0.1 CCSCCN[C@H](C)COC 2230a_100000764878_100000757381 [0,1,0,0,0,0|3,0,0]=4 2929 B10R0.1 CCSCCOC(C)CC#N 7a_100000212035_100009813641 [0,1,0,0,0,0|2,0,1]=4 2930 B10R0.1 CCSCCOC(C)CCBr 34a_100012276601_100000757381 [0,1,0,0,0,0|2,0,0]=3 2931 B10R0.1 CCSCCOC(C)CCO 34a_100000212035_100009893172 [0,1,0,0,0,0|2,0,0]=3 2932 B10R0.1 CCSCCOC(C)CCO 7a_100000212035_100009893172 [0,1,0,0,0,0|2,0,0]=3 2933 B10R0.1 CCSCCOC(C)COC 34a_100000212035_100000765312 [0,1,0,0,0,0|2,0,0]=3 2934 B10R0.1 CCSCCOC(C)COC 7a_100000212035_100000765312 [0,1,0,0,0,0|2,0,0]=3 2935 B10R0.1 CCSCCO[C@H](C)COC 34a_100011934205_100000757381 [0,1,0,0,0,0|2,0,0]=3 2936 B10R0.1 CCSCCSC(C)CCO 62a_100000757381_100009893172 [0,1,0,0,0,0|2,1,0]=4 2937 B10R0.1 CCSCCSC(C)CCO 62a_100009893172_100000757381 [0,1,0,0,0,0|2,1,0]=4 2938 B10R0.1 CCSCCSC(C)COC 62a_100000757381_100000765312 [0,1,0,0,0,0|2,1,0]=4 2939 B10R0.1 CCSCCSC(C)COC 62a_100000765312_100000757381 [0,1,0,0,0,0|2,1,0]=4 2940 B10R0.1 CNCCCOC(C)CCO 34a_100000213112_100009893172 [0,1,0,0,0,0|2,0,0]=3 2941 B10R0.1 CNCCCOC(C)COC 34a_100000213112_100000765312 [0,1,0,0,0,0|2,0,0]=3 2942 B10R0.1 COCC(C)NCCCCO 2230a_100000750430_100000765312 [0,1,0,0,0,0|3,0,0]=4 2943 B10R0.1 COCC(C)NCCCCO 270004a_100000750430_100000749346 [0,1,0,0,0,0|3,0,0]=4 2944 B10R0.1 COCC(C)NCCCCO 34a_100000750430_100000765312 [0,1,0,0,0,0|3,0,0]=4 2945 B10R0.1 COCC(C)NCCCSC 2230a_100000749238_100000765312 [0,1,0,0,0,0|3,0,0]=4 2946 B10R0.1 COCC(C)NCCCSC 270004a_100000749238_100000749346 [0,1,0,0,0,0|3,0,0]=4 2947 B10R0.1 COCC(C)OCCCCBr 34a_100011216708_100000765312 [0,1,0,0,0,0|2,0,0]=3 2948 B10R0.1 COCC(C)OCCCCCl 34a_100000210776_100000765312 [0,1,0,0,0,0|2,0,0]=3 2949 B10R0.1 COCC(C)OCCCCCl 7a_100000210776_100000765312 [0,1,0,0,0,0|2,0,0]=3 2950 B10R0.1 COCC(C)OCCCCF 34a_100011995726_100000765312 [0,1,0,0,0,0|2,0,0]=3 2951 B10R0.1 COCC(C)OCCCCF 7a_100011995726_100000765312 [0,1,0,0,0,0|2,0,0]=3 2952 B10R0.1 COCC(C)OCCCCI 34a_200012148704_100000765312 [0,1,0,0,0,0|2,0,0]=3 2953 B10R0.1 COCC(C)OCCCCN 34a_100000750430_100000765312 [0,1,0,0,0,0|2,0,0]=3 2954 B10R0.1 COCC(C)OCCCSC 34a_100000690336_100000765312 [0,1,0,0,0,0|2,0,0]=3 2955 B10R0.1 COCC(C)OCCCSC 7a_100000690336_100000765312 [0,1,0,0,0,0|2,0,0]=3 2956 B10R0.1 COCC(C)SCCCCF 62a_100000729493_100000765312 [0,1,0,0,0,0|2,1,0]=4 2957 B10R0.1 COCC(C)SCCCCF 62a_100000765312_100000729493 [0,1,0,0,0,0|2,1,0]=4 2958 B10R0.1 COCC(C)SCCCCO 62a_100000210776_100000765312 [0,1,0,0,0,0|2,1,0]=4 2959 B10R0.1 COCC(C)SCCCCO 62a_100000765312_100000210776 [0,1,0,0,0,0|2,1,0]=4 2960 B10R0.1 COCC(N)COCCCF 34a_100000724102_100011934791 [0,1,0,0,0,0|2,0,0]=3 2961 B10R0.1 COCC(N)COCCCO 34a_100000724102_100000230001 [0,1,0,0,0,0|2,0,0]=3 2962 B10R0.1 COCC(N)COCCSC 34a_100000724102_100000212216 [0,1,0,0,0,0|2,0,0]=3 2963 B10R0.1 COCC(O)CNCCCF 2230a_100000756049_100011934791 [0,1,0,0,0,0|3,0,0]=4 2964 B10R0.1 COCC(O)CNCCCF 34a_100000756049_100011934791 [0,1,0,0,0,0|3,0,0]=4 2965 B10R0.1 COCC(O)CNCCCF 34a_100015189416_100011215053 [0,1,0,0,0,0|3,0,0]=4 2966 B10R0.1 COCC(O)CNCCCO 2230a_100000756049_100000230001 [0,1,0,0,0,0|3,0,0]=4 2967 B10R0.1 COCC(O)CNCCCO 34a_100000756049_100000230001 [0,1,0,0,0,0|3,0,0]=4 2968 B10R0.1 COCC(O)CNCCSC 2230a_100000756049_100000751147 [0,1,0,0,0,0|3,0,0]=4 2969 B10R0.1 COCC(O)CNCCSC 34a_100000756049_100000212216 [0,1,0,0,0,0|3,0,0]=4 2970 B10R0.1 COCC(O)COCCCBr 34a_100011217188_100011215053 [0,1,0,0,0,0|2,0,0]=3 2971 B10R0.1 COCC(O)COCCCCl 34a_100000230001_100011215053 [0,1,0,0,0,0|2,0,0]=3 2972 B10R0.1 COCC(O)COCCCF 34a_100000759539_100011215053 [0,1,0,0,0,0|2,0,0]=3 2973 B10R0.1 COCC(O)COCCCN 34a_100000182051_100011215053 [0,1,0,0,0,0|2,0,0]=3 2974 B10R0.1 COCC(O)COCCON 34a_100000700252_100011215053 [0,1,0,0,0,0|3,0,0]=4 2975 B10R0.1 COCC(O)COCCSC 34a_100000230434_100011215053 [0,1,0,0,0,0|2,0,0]=3 2976 B10R0.1 COCC(O)COCCSC 7a_100000230434_100011215053 [0,1,0,0,0,0|2,0,0]=3 2977 B10R0.1 COCC(O)CSCCCF 62a_100011215053_100011934791 [0,1,0,0,0,0|2,1,0]=4 2978 B10R0.1 COCC(O)CSCCCF 62a_100011934791_100011215053 [0,1,0,0,0,0|2,1,0]=4 2979 B10R0.1 COCC(O)CSCCCO 62a_100011215043_100011215053 [0,1,0,0,0,0|2,1,0]=4 2980 B10R0.1 COCC(O)CSCCCO 62a_100011215053_100011215043 [0,1,0,0,0,0|2,1,0]=4 2981 B10R0.1 COCC(O)CSCCSC 62a_100000212216_100011215053 [0,1,0,0,0,0|2,1,0]=4 2982 B10R0.1 COCC(O)CSCCSC 62a_100011215053_100000751147 [0,1,0,0,0,0|2,1,0]=4 2983 B10R0.1 COCCCNC(C)CCO 34a_100150723488_100009893172 [0,1,0,0,0,0|3,0,0]=4 2984 B10R0.1 COCCCNC(C)COC 270004a_100150723488_100000749346 [0,1,0,0,0,0|3,0,0]=4 2985 B10R0.1 COCCCNC(C)COC 34a_100150723488_100000765312 [0,1,0,0,0,0|3,0,0]=4 2986 B10R0.1 COCCCNC(C)CSC 270004a_100150723488_100011216314 [0,1,0,0,0,0|3,0,0]=4 2987 B10R0.1 COCCCN[C@H](C)CCO 2230a_100000706166_100000740836 [0,1,0,0,0,0|3,0,0]=4 2988 B10R0.1 COCCCN[C@H](C)CCO 34a_100000706166_100000740836 [0,1,0,0,0,0|3,0,0]=4 2989 B10R0.1 COCCCN[C@H](C)COC 2230a_100000764878_100000740836 [0,1,0,0,0,0|3,0,0]=4 2990 B10R0.1 COCCCOC(C)CCBr 34a_100012276601_100000740836 [0,1,0,0,0,0|2,0,0]=3 2991 B10R0.1 COCCCOC(C)CCO 34a_100000740835_100009893172 [0,1,0,0,0,0|2,0,0]=3 2992 B10R0.1 COCCCOC(C)COC 34a_100000740835_100000765312 [0,1,0,0,0,0|2,0,0]=3 2993 B10R0.1 COCCCO[C@H](C)COC 34a_100011934205_100000740836 [0,1,0,0,0,0|2,0,0]=3 2994 B10R0.1 COCCCSC(C)CCO 62a_100000709357_100009893172 [0,1,0,0,0,0|2,1,0]=4 2995 B10R0.1 COCCCSC(C)CCO 62a_100009893172_100000709357 [0,1,0,0,0,0|2,1,0]=4 2996 B10R0.1 COCCCSC(C)COC 62a_100000709357_100000765312 [0,1,0,0,0,0|2,1,0]=4 2997 B10R0.1 COCCCSC(C)COC 62a_100000765312_100000709357 [0,1,0,0,0,0|2,1,0]=4 2998 B10R0.1 COCCNCC(O)COC 2230a_100000756049_100011201679 [0,1,0,0,0,0|3,0,0]=4 2999 B10R0.1 COCCNCC(O)COC 34a_100000756049_100011201679 [0,1,0,0,0,0|3,0,0]=4 3000 B10R0.1 COCCOCC(=O)CCF 1458a_100000211095_100011217306 [0,1,0,0,0,0|2,0,1]=4 3001 B10R0.1 COCCOCC(=O)CCO 1458a_100000211095_100000211926 [0,1,0,0,0,0|2,0,1]=4 3002 B10R0.1 COCCOCC(C)CCN 34a_106354213184_100011201679 [0,1,0,0,0,0|2,0,0]=3 3003 B10R0.1 COCCOCC(N)COC 34a_100000724102_100011201679 [0,1,0,0,0,0|2,0,0]=3 3004 B10R0.1 COCCOCC(O)COC 34a_100000210237_100011215053 [0,1,0,0,0,0|2,0,0]=3 3005 B10R0.1 COCCOCN(C)CCO 2230a_100000210263_100000231047 [0,1,0,0,0,0|3,0,0]=4 3006 B10R0.1 COCCOCN(C)CCO 269982a_100000210263_100000231047 [0,1,0,0,0,0|3,0,0]=4 3007 B10R0.1 COCCSCC(O)COC 62a_100000233755_100011215053 [0,1,0,0,0,0|2,1,0]=4 3008 B10R0.1 COCCSCC(O)COC 62a_100011215053_100000233755 [0,1,0,0,0,0|2,1,0]=4 3009 B10R0.1 COC[C@@H](C)NCCCCF 2230a_100000764878_100000729493 [0,1,0,0,0,0|3,0,0]=4 3010 B10R0.1 COC[C@@H](C)NCCCCO 2230a_100000764878_100000210776 [0,1,0,0,0,0|3,0,0]=4 3011 B10R0.1 COC[C@@H](C)OCCCCF 34a_100011934205_100000729493 [0,1,0,0,0,0|2,0,0]=3 3012 B10R0.1 COC[C@@H](C)OCCCCO 34a_100011934205_100011216708 [0,1,0,0,0,0|2,0,0]=3 3013 B10R0.1 CSCC(C)NCCCCO 270004a_100000750430_100011216314 [0,1,0,0,0,0|3,0,0]=4 3014 B10R0.1 CSCCCNC(C)CCO 2230a_100000749238_100009893172 [0,1,0,0,0,0|3,0,0]=4 3015 B10R0.1 CSCCCNC(C)CSC 270004a_100000749238_100011216314 [0,1,0,0,0,0|3,0,0]=4 3016 B10R0.1 CSCCCOC(C)CC#N 7a_100000690336_100009813641 [0,1,0,0,0,0|2,0,1]=4 3017 B10R0.1 CSCCCOC(C)CCO 34a_100000690336_100009893172 [0,1,0,0,0,0|2,0,0]=3 3018 B10R0.1 CSCCCOC(C)CCO 7a_100000690336_100009893172 [0,1,0,0,0,0|2,0,0]=3 3019 B10R0.1 CSCCOCC(C)CCN 34a_106354213184_100000212216 [0,1,0,0,0,0|2,0,0]=3 3020 B10R0.1 CSCCOC[C@@H](O)CC#N 7a_100000230434_100000001066 [0,1,0,0,0,0|2,0,1]=4 3021 B10R0.1 C[C@H](CCO)NCCCCF 2230a_100000706166_100000729493 [0,1,0,0,0,0|3,0,0]=4 3022 B10R0.1 C[C@H](CCO)NCCCCF 34a_100000706166_100000729493 [0,1,0,0,0,0|3,0,0]=4 3023 B10R0.1 C[C@H](CCO)NCCCCO 2230a_100000706166_100000210776 [0,1,0,0,0,0|3,0,0]=4 3024 B10R0.1 C[C@H](CCO)NCCCCO 34a_100000706166_100011216708 [0,1,0,0,0,0|3,0,0]=4 3025 B10R0.4 C#CCCCNCCC(C)C 34a_100000718082_100000210312 [0,1,0,0,0,0|1,0,2]=4 3026 B10R0.4 C#CCCCNCCC(C)O 2230a_200000755665_100000731252 [0,1,0,0,0,0|1,0,2]=4 3027 B10R0.4 C#CCCCNCCC(C)O 34a_100000718082_100012276601 [0,1,0,0,0,0|1,0,2]=4 3028 B10R0.4 C#CCCCOCCC(=C)C 34a_100000215630_100000730704 [0,1,0,0,0,0|0,0,3]=4 3029 B10R0.4 C#CCCCOCCC(=C)C 34a_100000764851_100000695029 [0,1,0,0,0,0|0,0,3]=4 3030 B10R0.4 C#CCCCOCCC(=C)C 7a_100000215630_100000730704 [0,1,0,0,0,0|0,0,3]=4 3031 B10R0.4 C#CCCCOCCC(=O)C 34a_100000759926_100000695029 [0,1,0,0,0,0|0,0,3]=4 3032 B10R0.4 C#CCCCOCCC(=O)C 7a_100000215630_100000053229 [0,1,0,0,0,0|0,0,3]=4 3033 B10R0.4 C#CCCCOCCC(=O)C 7a_100000759926_100011215417 [0,1,0,0,0,0|0,0,3]=4 3034 B10R0.4 C#CCCCOCCC(C)Br 34a_100009893172_100000695029 [0,1,0,0,0,0|0,0,2]=3 3035 B10R0.4 C#CCCCOCCC(C)C 34a_100000210254_100000695029 [0,1,0,0,0,0|0,0,2]=3 3036 B10R0.4 C#CCCCOCCC(C)C 34a_100000215630_100000210312 [0,1,0,0,0,0|0,0,2]=3 3037 B10R0.4 C#CCCCOCCC(C)C 7a_100000210254_100011215417 [0,1,0,0,0,0|0,0,2]=3 3038 B10R0.4 C#CCCCOCCC(C)C 7a_100000215630_100000210626 [0,1,0,0,0,0|0,0,2]=3 3039 B10R0.4 C#CCCCOCCC(C)O 34a_100000215630_100012276601 [0,1,0,0,0,0|0,0,2]=3 3040 B10R0.4 C#CCCCOCCC(C)O 7a_100000215630_100012276601 [0,1,0,0,0,0|0,0,2]=3 3041 B10R0.4 C#CCCCOCCC(F)F 34a_100103093639_100000695029 [0,1,0,0,0,0|1,0,2]=4 3042 B10R0.4 C#CCCCOCCN(C)C 7a_100000215630_100000755713 [0,1,0,0,0,0|1,0,2]=4 3043 B10R0.4 C#CCCCOCC[C@@H](C)N 34a_100000706166_100000695029 [0,1,0,0,0,0|0,0,2]=3 3044 B10R0.4 C#CCCCOCOC(C)C 34a_100000215630_100000709892 [0,1,0,0,0,0|1,0,2]=4 3045 B10R0.4 C#CCCCSCCC(C)C 62a_100000210312_100011215417 [0,1,0,0,0,0|0,1,2]=4 3046 B10R0.4 C#CCCCSCCC(C)C 62a_100011215417_100000210312 [0,1,0,0,0,0|0,1,2]=4 3047 B10R0.4 C#CCCCSCCC(C)O 62a_100011215417_100012276601 [0,1,0,0,0,0|0,1,2]=4 3048 B10R0.4 C#CCCCSCCC(C)O 62a_100012276601_100011215417 [0,1,0,0,0,0|0,1,2]=4 3049 B10R0.4 C#CCCNCCCC(C)C 2230a_200000737386_100000688953 [0,1,0,0,0,0|1,0,2]=4 3050 B10R0.4 C#CCCNCCCC(C)C 34a_100000755551_100011214892 [0,1,0,0,0,0|1,0,2]=4 3051 B10R0.4 C#CCCNCCCC(C)C 34a_200000737386_100000688953 [0,1,0,0,0,0|1,0,2]=4 3052 B10R0.4 C#CCCNCCCC(C)O 34a_100000755551_200000718107 [0,1,0,0,0,0|1,0,2]=4 3053 B10R0.4 C#CCCOCCCC(=O)C 34a_100000759063_100000688953 [0,1,0,0,0,0|0,0,3]=4 3054 B10R0.4 C#CCCOCCCC(=O)C 34a_100011215631_100000685027 [0,1,0,0,0,0|0,0,3]=4 3055 B10R0.4 C#CCCOCCCC(=O)C 7a_100000759063_100000688953 [0,1,0,0,0,0|0,0,3]=4 3056 B10R0.4 C#CCCOCCCC(C)C 34a_100000210774_100000688953 [0,1,0,0,0,0|0,0,2]=3 3057 B10R0.4 C#CCCOCCCC(C)C 34a_100011215631_100011214892 [0,1,0,0,0,0|0,0,2]=3 3058 B10R0.4 C#CCCOCCCC(C)C 7a_100000210774_100000688953 [0,1,0,0,0,0|0,0,2]=3 3059 B10R0.4 C#CCCOCCCC(C)O 34a_100011215631_200000718107 [0,1,0,0,0,0|0,0,2]=3 3060 B10R0.4 C#CCCOCCNC(C)C 34a_100000224655_100000688953 [0,1,0,0,0,0|1,0,2]=4 3061 B10R0.4 C#CCCOCCOC(C)C 34a_100000211219_100000688953 [0,1,0,0,0,0|1,0,2]=4 3062 B10R0.4 C#CCCOCCOC(C)C 34a_100011215631_100000211751 [0,1,0,0,0,0|1,0,2]=4 3063 B10R0.4 C#CCCOCCOC(C)C 7a_100000211219_100000688953 [0,1,0,0,0,0|1,0,2]=4 3064 B10R0.4 C#CCCOCCSC(C)C 34a_100011215631_100000730970 [0,1,0,0,0,0|1,0,2]=4 3065 B10R0.4 C#CCCOCCSC(C)C 34a_200011212901_100000688953 [0,1,0,0,0,0|1,0,2]=4 3066 B10R0.4 C#CCCOCCSC(C)C 7a_200011212901_100000688953 [0,1,0,0,0,0|1,0,2]=4 3067 B10R0.4 C#CCCSCCCC(C)C 62a_100000688953_100011214892 [0,1,0,0,0,0|0,1,2]=4 3068 B10R0.4 C#CCCSCCCC(C)C 62a_100011214892_100000688953 [0,1,0,0,0,0|0,1,2]=4 3069 B10R0.4 C#CCCSCCCC(C)O 62a_100000688953_200000718107 [0,1,0,0,0,0|0,1,2]=4 3070 B10R0.4 C#CCCSCCCC(C)O 62a_200000718107_100000688953 [0,1,0,0,0,0|0,1,2]=4 3071 B10R0.4 C/C=C/CCOCCC(C)C 34a_100016278192_100000210312 [0,1,0,0,0,0|0,0,2]=3 3072 B10R0.4 C/C=C/CCOCCC(C)O 34a_100016278192_100012276601 [0,1,0,0,0,0|0,0,2]=3 3073 B10R0.4 C/C=C/CCOCOC(C)C 34a_100016278192_100000709892 [0,1,0,0,0,0|1,0,2]=4 3074 B10R0.4 C/C=C/CNCCCC(C)C 34a_200000737386_100102629194 [0,1,0,0,0,0|1,0,2]=4 3075 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [0,1,0,0,0,0|0,0,3]=4 3076 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [0,1,0,0,0,0|0,0,3]=4 3077 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [0,1,0,0,0,0|0,0,3]=4 3078 B10R0.4 C/C=C/COCCCC(C)C 34a_100000210774_100102629194 [0,1,0,0,0,0|0,0,2]=3 3079 B10R0.4 C/C=C/COCCCC(C)C 34a_100016270725_100011214892 [0,1,0,0,0,0|0,0,2]=3 3080 B10R0.4 C/C=C/COCCCC(C)C 7a_100000210774_100102629194 [0,1,0,0,0,0|0,0,2]=3 3081 B10R0.4 C/C=C/COCCCC(C)O 34a_100016270725_200000718107 [0,1,0,0,0,0|0,0,2]=3 3082 B10R0.4 C/C=C/COCCNC(C)C 34a_100000224655_100102629194 [0,1,0,0,0,0|1,0,2]=4 3083 B10R0.4 C/C=C/COCCOC(C)C 34a_100000211219_100102629194 [0,1,0,0,0,0|1,0,2]=4 3084 B10R0.4 C/C=C/COCCOC(C)C 34a_100016270725_100000211751 [0,1,0,0,0,0|1,0,2]=4 3085 B10R0.4 C/C=C/COCCOC(C)C 7a_100000211219_100102629194 [0,1,0,0,0,0|1,0,2]=4 3086 B10R0.4 C/C=C/COCCSC(C)C 34a_100016270725_100000730970 [0,1,0,0,0,0|1,0,2]=4 3087 B10R0.4 C/C=C/COCCSC(C)C 34a_200011212901_100102629194 [0,1,0,0,0,0|1,0,2]=4 3088 B10R0.4 C/C=C/COCCSC(C)C 7a_200011212901_100102629194 [0,1,0,0,0,0|1,0,2]=4 3089 B10R0.4 C/C=C/CSCCCC(C)C 62a_100011214892_100102629194 [0,1,0,0,0,0|0,1,2]=4 3090 B10R0.4 C/C=C/CSCCCC(C)C 62a_100102629194_100011214892 [0,1,0,0,0,0|0,1,2]=4 3091 B10R0.4 C/C=C/CSCCCC(C)O 62a_100102629194_200000718107 [0,1,0,0,0,0|0,1,2]=4 3092 B10R0.4 C/C=C/CSCCCC(C)O 62a_200000718107_100102629194 [0,1,0,0,0,0|0,1,2]=4 3093 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [0,1,0,0,0,0|0,0,2]=3 3094 B10R0.4 C=C(Br)CCOCCCCF 34a_100009813270_100000729493 [0,1,0,0,0,0|1,0,2]=4 3095 B10R0.4 C=C(Br)CCOCCCCO 34a_100009813270_100011216708 [0,1,0,0,0,0|1,0,2]=4 3096 B10R0.4 C=C(Br)CCOCCCOC 34a_100009813270_100000740836 [0,1,0,0,0,0|1,0,2]=4 3097 B10R0.4 C=C(Br)CCOCCOCC 34a_100009813270_100000210147 [0,1,0,0,0,0|1,0,2]=4 3098 B10R0.4 C=C(Br)CCOCCSCC 34a_100009813270_100000757381 [0,1,0,0,0,0|1,0,2]=4 3099 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [0,1,0,0,0,0|1,0,1]=3 3100 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [0,1,0,0,0,0|2,0,1]=4 3101 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [0,1,0,0,0,0|2,0,1]=4 3102 B10R0.4 C=C(C)CCNCCCOC 34a_100150723488_100000730704 [0,1,0,0,0,0|2,0,1]=4 3103 B10R0.4 C=C(C)CCNCCCSC 2230a_100000749238_100000730704 [0,1,0,0,0,0|2,0,1]=4 3104 B10R0.4 C=C(C)CCNCCOCC 2230a_102516460346_100000730704 [0,1,0,0,0,0|2,0,1]=4 3105 B10R0.4 C=C(C)CCNCCOCC 34a_102516460346_100000730704 [0,1,0,0,0,0|2,0,1]=4 3106 B10R0.4 C=C(C)CCNCCSCC 2230a_100000106463_100000730704 [0,1,0,0,0,0|2,0,1]=4 3107 B10R0.4 C=C(C)CCOC/C=C\CC 34a_100000764851_100103147603 [0,1,0,0,0,0|0,0,3]=4 3108 B10R0.4 C=C(C)CCOC/C=C\CC 34a_100016268518_100000730704 [0,1,0,0,0,0|0,0,3]=4 3109 B10R0.4 C=C(C)CCOCC#CCC 34a_100000032950_100000730704 [0,1,0,0,0,0|0,0,3]=4 3110 B10R0.4 C=C(C)CCOCC#CCC 34a_100000764851_100009813939 [0,1,0,0,0,0|0,0,3]=4 3111 B10R0.4 C=C(C)CCOCC/C=C/C 34a_100016278192_100000730704 [0,1,0,0,0,0|0,0,3]=4 3112 B10R0.4 C=C(C)CCOCCC#CC 34a_100000750427_100000730704 [0,1,0,0,0,0|0,0,3]=4 3113 B10R0.4 C=C(C)CCOCCCCBr 34a_100011216708_100000730704 [0,1,0,0,0,0|1,0,1]=3 3114 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,1,0,0,0,0|0,0,1]=2 3115 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,1,0,0,0,0|0,0,1]=2 3116 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,1,0,0,0,0|0,0,1]=2 3117 B10R0.4 C=C(C)CCOCCCCCl 34a_100000210776_100000730704 [0,1,0,0,0,0|1,0,1]=3 3118 B10R0.4 C=C(C)CCOCCCCCl 7a_100000210776_100000730704 [0,1,0,0,0,0|1,0,1]=3 3119 B10R0.4 C=C(C)CCOCCCCF 34a_100000764851_100000729493 [0,1,0,0,0,0|1,0,1]=3 3120 B10R0.4 C=C(C)CCOCCCCF 34a_100011995726_100000730704 [0,1,0,0,0,0|1,0,1]=3 3121 B10R0.4 C=C(C)CCOCCCCF 7a_100011995726_100000730704 [0,1,0,0,0,0|1,0,1]=3 3122 B10R0.4 C=C(C)CCOCCCCI 34a_200012148704_100000730704 [0,1,0,0,0,0|1,0,1]=3 3123 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [0,1,0,0,0,0|1,0,1]=3 3124 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [0,1,0,0,0,0|1,0,1]=3 3125 B10R0.4 C=C(C)CCOCCCNC 34a_100000213112_100000730704 [0,1,0,0,0,0|1,0,1]=3 3126 B10R0.4 C=C(C)CCOCCCOC 34a_100000740835_100000730704 [0,1,0,0,0,0|1,0,1]=3 3127 B10R0.4 C=C(C)CCOCCCOC 34a_100000764851_100000740836 [0,1,0,0,0,0|1,0,1]=3 3128 B10R0.4 C=C(C)CCOCCCSC 34a_100000690336_100000730704 [0,1,0,0,0,0|1,0,1]=3 3129 B10R0.4 C=C(C)CCOCCCSC 7a_100000690336_100000730704 [0,1,0,0,0,0|1,0,1]=3 3130 B10R0.4 C=C(C)CCOCCOCC 34a_100000210136_100000730704 [0,1,0,0,0,0|1,0,1]=3 3131 B10R0.4 C=C(C)CCOCCOCC 34a_100000764851_100000210147 [0,1,0,0,0,0|1,0,1]=3 3132 B10R0.4 C=C(C)CCOCCOCC 7a_100000210136_100000730704 [0,1,0,0,0,0|1,0,1]=3 3133 B10R0.4 C=C(C)CCOCCSCC 34a_100000212035_100000730704 [0,1,0,0,0,0|1,0,1]=3 3134 B10R0.4 C=C(C)CCOCCSCC 34a_100000764851_100000757381 [0,1,0,0,0,0|1,0,1]=3 3135 B10R0.4 C=C(C)CCOCCSCC 7a_100000212035_100000730704 [0,1,0,0,0,0|1,0,1]=3 3136 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [0,1,0,0,0,0|0,1,1]=3 3137 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [0,1,0,0,0,0|0,1,1]=3 3138 B10R0.4 C=C(C)CCSCCCCF 62a_100000729493_100000730704 [0,1,0,0,0,0|1,1,1]=4 3139 B10R0.4 C=C(C)CCSCCCCF 62a_100000730704_100000729493 [0,1,0,0,0,0|1,1,1]=4 3140 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [0,1,0,0,0,0|1,1,1]=4 3141 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [0,1,0,0,0,0|1,1,1]=4 3142 B10R0.4 C=C(C)CCSCCCOC 62a_100000709357_100000730704 [0,1,0,0,0,0|1,1,1]=4 3143 B10R0.4 C=C(C)CCSCCCOC 62a_100000730704_100000709357 [0,1,0,0,0,0|1,1,1]=4 3144 B10R0.4 C=C(C)CCSCCOCC 62a_100000210147_100000730704 [0,1,0,0,0,0|1,1,1]=4 3145 B10R0.4 C=C(C)CCSCCOCC 62a_100000730704_100011215890 [0,1,0,0,0,0|1,1,1]=4 3146 B10R0.4 C=C(C)CCSCCSCC 62a_100000730704_100000757381 [0,1,0,0,0,0|1,1,1]=4 3147 B10R0.4 C=C(C)CCSCCSCC 62a_100000757381_100000730704 [0,1,0,0,0,0|1,1,1]=4 3148 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [0,1,0,0,0,0|2,0,1]=4 3149 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,1,0,0,0,0|2,0,1]=4 3150 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,1,0,0,0,0|2,0,1]=4 3151 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,1,0,0,0,0|2,0,1]=4 3152 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [0,1,0,0,0,0|1,0,1]=3 3153 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [0,1,0,0,0,0|2,0,1]=4 3154 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [0,1,0,0,0,0|2,0,1]=4 3155 B10R0.4 C=C(C)CSCOCCCC 62a_100000748629_100011995733 [0,1,0,0,0,0|1,0,1]=3 3156 B10R0.4 C=C(C)CSCOCCCC 62a_100011995733_100000211660 [0,1,0,0,0,0|1,0,1]=3 3157 B10R0.4 C=C(C)CSCOCCOC 62a_100000231047_100000211660 [0,1,0,0,0,0|2,0,1]=4 3158 B10R0.4 C=C(C)CSCOCCOC 62a_100000748629_100000231047 [0,1,0,0,0,0|2,0,1]=4 3159 B10R0.4 C=C(F)COCOCCCC 34a_200010262243_100011995733 [0,1,0,0,0,0|1,0,2]=4 3160 B10R0.4 C=C(F)CSCOCCCC 62a_100000042424_100011995733 [0,1,0,0,0,0|1,0,2]=4 3161 B10R0.4 C=C(F)CSCOCCCC 62a_100011995733_100000042424 [0,1,0,0,0,0|1,0,2]=4 3162 B10R0.4 C=CCCCNCCC(C)C 2230a_100000700776_100000210312 [0,1,0,0,0,0|1,0,2]=4 3163 B10R0.4 C=CCCCNCCC(C)C 269862a_100000700776_100000185833 [0,1,0,0,0,0|1,0,2]=4 3164 B10R0.4 C=CCCCNCCC(C)C 34a_100000700776_100000210312 [0,1,0,0,0,0|1,0,2]=4 3165 B10R0.4 C=CCCCNCCC(C)O 2230a_100000700776_100012276601 [0,1,0,0,0,0|1,0,2]=4 3166 B10R0.4 C=CCCCNCCC(C)O 2230a_200000755665_100011713584 [0,1,0,0,0,0|1,0,2]=4 3167 B10R0.4 C=CCCCNCCC(C)O 34a_100000700776_100012276601 [0,1,0,0,0,0|1,0,2]=4 3168 B10R0.4 C=CCCCOCCC(=C)C 34a_100000758997_100000730704 [0,1,0,0,0,0|0,0,3]=4 3169 B10R0.4 C=CCCCOCCC(=C)C 34a_100000764851_100000757094 [0,1,0,0,0,0|0,0,3]=4 3170 B10R0.4 C=CCCCOCCC(=C)C 7a_100000758997_100000730704 [0,1,0,0,0,0|0,0,3]=4 3171 B10R0.4 C=CCCCOCCC(=O)C 34a_100000759926_100000757094 [0,1,0,0,0,0|0,0,3]=4 3172 B10R0.4 C=CCCCOCCC(=O)C 7a_100000758997_100000053229 [0,1,0,0,0,0|0,0,3]=4 3173 B10R0.4 C=CCCCOCCC(=O)C 7a_100000759926_100000757094 [0,1,0,0,0,0|0,0,3]=4 3174 B10R0.4 C=CCCCOCCC(C)Br 34a_100009893172_100000757094 [0,1,0,0,0,0|0,0,2]=3 3175 B10R0.4 C=CCCCOCCC(C)C 34a_100000210254_100000757094 [0,1,0,0,0,0|0,0,2]=3 3176 B10R0.4 C=CCCCOCCC(C)C 34a_100000758997_100000210312 [0,1,0,0,0,0|0,0,2]=3 3177 B10R0.4 C=CCCCOCCC(C)C 7a_100000210254_100000757094 [0,1,0,0,0,0|0,0,2]=3 3178 B10R0.4 C=CCCCOCCC(C)C 7a_100000758997_100000210626 [0,1,0,0,0,0|0,0,2]=3 3179 B10R0.4 C=CCCCOCCC(C)O 34a_100000758997_100012276601 [0,1,0,0,0,0|0,0,2]=3 3180 B10R0.4 C=CCCCOCCC(C)O 7a_100000758997_100012276601 [0,1,0,0,0,0|0,0,2]=3 3181 B10R0.4 C=CCCCOCCC(F)F 34a_100103093639_100000757094 [0,1,0,0,0,0|1,0,2]=4 3182 B10R0.4 C=CCCCOCCN(C)C 7a_100000758997_100000755713 [0,1,0,0,0,0|1,0,2]=4 3183 B10R0.4 C=CCCCOCC[C@@H](C)N 34a_100000706166_100000757094 [0,1,0,0,0,0|0,0,2]=3 3184 B10R0.4 C=CCCCOCOC(C)C 34a_100000758997_100000709892 [0,1,0,0,0,0|1,0,2]=4 3185 B10R0.4 C=CCCCSCCC(C)C 62a_100000210312_100000757094 [0,1,0,0,0,0|0,1,2]=4 3186 B10R0.4 C=CCCCSCCC(C)C 62a_100011713584_100000210312 [0,1,0,0,0,0|0,1,2]=4 3187 B10R0.4 C=CCCCSCCC(C)O 62a_100011713584_100012276601 [0,1,0,0,0,0|0,1,2]=4 3188 B10R0.4 C=CCCCSCCC(C)O 62a_100012276601_100000757094 [0,1,0,0,0,0|0,1,2]=4 3189 B10R0.4 C=CCCNCCCC(C)C 2230a_100015191253_100011214892 [0,1,0,0,0,0|1,0,2]=4 3190 B10R0.4 C=CCCNCCCC(C)C 2230a_200000737386_100000754431 [0,1,0,0,0,0|1,0,2]=4 3191 B10R0.4 C=CCCNCCCC(C)C 34a_200000737386_100000754431 [0,1,0,0,0,0|1,0,2]=4 3192 B10R0.4 C=CCCNCCCC(C)O 2230a_100015191253_200000718107 [0,1,0,0,0,0|1,0,2]=4 3193 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [0,1,0,0,0,0|0,0,3]=4 3194 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [0,1,0,0,0,0|0,0,3]=4 3195 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [0,1,0,0,0,0|0,0,3]=4 3196 B10R0.4 C=CCCOCCCC(C)C 34a_100000210774_100000754431 [0,1,0,0,0,0|0,0,2]=3 3197 B10R0.4 C=CCCOCCCC(C)C 34a_100011205117_100011214892 [0,1,0,0,0,0|0,0,2]=3 3198 B10R0.4 C=CCCOCCCC(C)C 7a_100000210774_100000754431 [0,1,0,0,0,0|0,0,2]=3 3199 B10R0.4 C=CCCOCCCC(C)O 34a_100011205117_200000718107 [0,1,0,0,0,0|0,0,2]=3 3200 B10R0.4 C=CCCOCCNC(C)C 34a_100000224655_100000754431 [0,1,0,0,0,0|1,0,2]=4 3201 B10R0.4 C=CCCOCCOC(C)C 34a_100000211219_100000754431 [0,1,0,0,0,0|1,0,2]=4 3202 B10R0.4 C=CCCOCCOC(C)C 34a_100011205117_100000211751 [0,1,0,0,0,0|1,0,2]=4 3203 B10R0.4 C=CCCOCCOC(C)C 7a_100000211219_100000754431 [0,1,0,0,0,0|1,0,2]=4 3204 B10R0.4 C=CCCOCCSC(C)C 34a_100011205117_100000730970 [0,1,0,0,0,0|1,0,2]=4 3205 B10R0.4 C=CCCOCCSC(C)C 34a_200011212901_100000754431 [0,1,0,0,0,0|1,0,2]=4 3206 B10R0.4 C=CCCOCCSC(C)C 7a_200011212901_100000754431 [0,1,0,0,0,0|1,0,2]=4 3207 B10R0.4 C=CCCSCCCC(C)C 62a_100000754431_100011214892 [0,1,0,0,0,0|0,1,2]=4 3208 B10R0.4 C=CCCSCCCC(C)C 62a_100011214892_100000754431 [0,1,0,0,0,0|0,1,2]=4 3209 B10R0.4 C=CCCSCCCC(C)O 62a_100000754431_200000718107 [0,1,0,0,0,0|0,1,2]=4 3210 B10R0.4 C=CCCSCCCC(C)O 62a_200000718107_100000754431 [0,1,0,0,0,0|0,1,2]=4 3211 B10R0.4 C=COCCOCCC(C)Br 34a_100009893172_100000039644 [0,1,0,0,0,0|1,0,2]=4 3212 B10R0.4 C=COCCOCCC(C)C 34a_100000033082_100000210312 [0,1,0,0,0,0|1,0,2]=4 3213 B10R0.4 C=COCCOCCC(C)C 34a_100000210254_100000039644 [0,1,0,0,0,0|1,0,2]=4 3214 B10R0.4 C=COCCOCCC(C)C 7a_100000210254_100000039644 [0,1,0,0,0,0|1,0,2]=4 3215 B10R0.4 C=COCCOCCC(C)O 34a_100000033082_100012276601 [0,1,0,0,0,0|1,0,2]=4 3216 B10R0.4 C=COCCOCC[C@@H](C)N 34a_100000706166_100000039644 [0,1,0,0,0,0|1,0,2]=4 3217 B10R0.4 CC#CCCOCCC(C)C 34a_100000750427_100000210312 [0,1,0,0,0,0|0,0,2]=3 3218 B10R0.4 CC#CCCOCCC(C)O 34a_100000750427_100012276601 [0,1,0,0,0,0|0,0,2]=3 3219 B10R0.4 CC#CCCOCOC(C)C 34a_100000750427_100000709892 [0,1,0,0,0,0|1,0,2]=4 3220 B10R0.4 CC#CCNCCCC(C)C 2230a_100000685387_100011214892 [0,1,0,0,0,0|1,0,2]=4 3221 B10R0.4 CC#CCNCCCC(C)C 2230a_200000737386_100000748600 [0,1,0,0,0,0|1,0,2]=4 3222 B10R0.4 CC#CCNCCCC(C)C 34a_100000685387_100011214892 [0,1,0,0,0,0|1,0,2]=4 3223 B10R0.4 CC#CCNCCCC(C)C 34a_200000737386_100000748600 [0,1,0,0,0,0|1,0,2]=4 3224 B10R0.4 CC#CCNCCCC(C)O 2230a_100000685387_200000718107 [0,1,0,0,0,0|1,0,2]=4 3225 B10R0.4 CC#CCNCCCC(C)O 34a_100000685387_200000718107 [0,1,0,0,0,0|1,0,2]=4 3226 B10R0.4 CC#CCOCCCC(=O)C 34a_100000759063_100000748600 [0,1,0,0,0,0|0,0,3]=4 3227 B10R0.4 CC#CCOCCCC(=O)C 34a_100000761923_100000685027 [0,1,0,0,0,0|0,0,3]=4 3228 B10R0.4 CC#CCOCCCC(=O)C 7a_100000759063_100000748600 [0,1,0,0,0,0|0,0,3]=4 3229 B10R0.4 CC#CCOCCCC(C)C 34a_100000210774_100000748600 [0,1,0,0,0,0|0,0,2]=3 3230 B10R0.4 CC#CCOCCCC(C)C 34a_100000761923_100011214892 [0,1,0,0,0,0|0,0,2]=3 3231 B10R0.4 CC#CCOCCCC(C)C 7a_100000210774_100000748600 [0,1,0,0,0,0|0,0,2]=3 3232 B10R0.4 CC#CCOCCCC(C)O 34a_100000761923_200000718107 [0,1,0,0,0,0|0,0,2]=3 3233 B10R0.4 CC#CCOCCNC(C)C 34a_100000224655_100000748600 [0,1,0,0,0,0|1,0,2]=4 3234 B10R0.4 CC#CCOCCOC(C)C 34a_100000211219_100000748600 [0,1,0,0,0,0|1,0,2]=4 3235 B10R0.4 CC#CCOCCOC(C)C 34a_100000761923_100000211751 [0,1,0,0,0,0|1,0,2]=4 3236 B10R0.4 CC#CCOCCOC(C)C 7a_100000211219_100000748600 [0,1,0,0,0,0|1,0,2]=4 3237 B10R0.4 CC#CCOCCSC(C)C 34a_100000761923_100000730970 [0,1,0,0,0,0|1,0,2]=4 3238 B10R0.4 CC#CCOCCSC(C)C 34a_200011212901_100000748600 [0,1,0,0,0,0|1,0,2]=4 3239 B10R0.4 CC#CCOCCSC(C)C 7a_200011212901_100000748600 [0,1,0,0,0,0|1,0,2]=4 3240 B10R0.4 CC#CCSCCCC(C)C 62a_100000748600_100011214892 [0,1,0,0,0,0|0,1,2]=4 3241 B10R0.4 CC#CCSCCCC(C)C 62a_100011214892_100000748600 [0,1,0,0,0,0|0,1,2]=4 3242 B10R0.4 CC#CCSCCCC(C)O 62a_100000748600_200000718107 [0,1,0,0,0,0|0,1,2]=4 3243 B10R0.4 CC#CCSCCCC(C)O 62a_200000718107_100000748600 [0,1,0,0,0,0|0,1,2]=4 3244 B10R0.4 CC(=CCCOCCCBr)C 34a_100011217188_100011217483 [0,1,0,0,0,0|1,0,2]=4 3245 B10R0.4 CC(=CCCOCCCCl)C 34a_100000230001_100011217483 [0,1,0,0,0,0|1,0,2]=4 3246 B10R0.4 CC(=CCCOCCCF)C 34a_100000759539_100011217483 [0,1,0,0,0,0|1,0,2]=4 3247 B10R0.4 CC(=CCCOCCCN)C 34a_100000182051_100011217483 [0,1,0,0,0,0|1,0,2]=4 3248 B10R0.4 CC(=CCOCCCCBr)C 34a_100011216708_100000761012 [0,1,0,0,0,0|1,0,2]=4 3249 B10R0.4 CC(=CCOCCCCCl)C 34a_100000210776_100000761012 [0,1,0,0,0,0|1,0,2]=4 3250 B10R0.4 CC(=CCOCCCCCl)C 7a_100000210776_100000761012 [0,1,0,0,0,0|1,0,2]=4 3251 B10R0.4 CC(=CCOCCCCF)C 34a_100000753907_100000729493 [0,1,0,0,0,0|1,0,2]=4 3252 B10R0.4 CC(=CCOCCCCF)C 34a_100011995726_100000761012 [0,1,0,0,0,0|1,0,2]=4 3253 B10R0.4 CC(=CCOCCCCF)C 7a_100011995726_100000761012 [0,1,0,0,0,0|1,0,2]=4 3254 B10R0.4 CC(=CCOCCCCI)C 34a_200012148704_100000761012 [0,1,0,0,0,0|1,0,2]=4 3255 B10R0.4 CC(=CCOCCCCN)C 34a_100000750430_100000761012 [0,1,0,0,0,0|1,0,2]=4 3256 B10R0.4 CC(=CCOCCCCO)C 34a_100000753907_100011216708 [0,1,0,0,0,0|1,0,2]=4 3257 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,1,0,0,0,0|2,0,1]=4 3258 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,1,0,0,0,0|2,0,1]=4 3259 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,1,0,0,0,0|2,0,1]=4 3260 B10R0.4 CC(=O)CCCOCCC#N 7a_100000759063_100000184422 [0,1,0,0,0,0|1,0,2]=4 3261 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,1,0,0,0,0|1,0,1]=3 3262 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,1,0,0,0,0|1,0,1]=3 3263 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,1,0,0,0,0|1,0,1]=3 3264 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,1,0,0,0,0|1,0,1]=3 3265 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,1,0,0,0,0|1,0,1]=3 3266 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,1,0,0,0,0|1,0,1]=3 3267 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,1,0,0,0,0|1,0,1]=3 3268 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,1,0,0,0,0|1,0,1]=3 3269 B10R0.4 CC(=O)CCCOCCON 34a_100000700252_100000685027 [0,1,0,0,0,0|2,0,1]=4 3270 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,1,0,0,0,0|1,1,1]=4 3271 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,1,0,0,0,0|1,1,1]=4 3272 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,1,0,0,0,0|1,1,1]=4 3273 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,1,0,0,0,0|1,1,1]=4 3274 B10R0.4 CC(=O)CCOCCCC#N 7a_100000759926_100000687738 [0,1,0,0,0,0|1,0,2]=4 3275 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [0,1,0,0,0,0|1,0,2]=4 3276 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,1,0,0,0,0|1,0,1]=3 3277 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,1,0,0,0,0|1,0,1]=3 3278 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,1,0,0,0,0|1,0,1]=3 3279 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,1,0,0,0,0|1,0,1]=3 3280 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,1,0,0,0,0|1,0,1]=3 3281 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,1,0,0,0,0|1,0,1]=3 3282 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,1,0,0,0,0|1,1,1]=4 3283 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,1,0,0,0,0|1,1,1]=4 3284 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,1,0,0,0,0|1,1,1]=4 3285 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,1,0,0,0,0|1,1,1]=4 3286 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [0,1,0,0,0,0|2,0,1]=4 3287 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [0,1,0,0,0,0|2,0,1]=4 3288 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,1,0,0,0,0|2,0,1]=4 3289 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,1,0,0,0,0|2,0,1]=4 3290 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,1,0,0,0,0|2,0,1]=4 3291 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,1,0,0,0,0|2,0,1]=4 3292 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [0,1,0,0,0,0|2,0,1]=4 3293 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [0,1,0,0,0,0|2,0,1]=4 3294 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [0,1,0,0,0,0|2,0,1]=4 3295 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [0,1,0,0,0,0|2,0,1]=4 3296 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [0,1,0,0,0,0|2,0,1]=4 3297 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [0,1,0,0,0,0|2,0,1]=4 3298 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,1,0,0,0,0|2,0,1]=4 3299 B10R0.4 CC(Br)CCOCC#CCO 34a_100009893172_200000047223 [0,1,0,0,0,0|1,0,2]=4 3300 B10R0.4 CC(Br)CCOCCCCF 34a_100009893172_100000729493 [0,1,0,0,0,0|1,0,0]=2 3301 B10R0.4 CC(Br)CCOCCCCO 34a_100009893172_100011216708 [0,1,0,0,0,0|1,0,0]=2 3302 B10R0.4 CC(Br)COCCCCCF 34a_100012180447_100000729378 [0,1,0,0,0,0|3,0,0]=4 3303 B10R0.4 CC(Br)COCCCCCO 34a_100012180447_100000746330 [0,1,0,0,0,0|3,0,0]=4 3304 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [0,1,0,0,0,0|2,0,0]=3 3305 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [0,1,0,0,0,0|2,0,0]=3 3306 B10R0.4 CC(C)CCCCCNCF 34a_100011290863_100015361967 [0,1,0,0,0,0|3,0,0]=4 3307 B10R0.4 CC(C)CCCCCOCF 34a_100011995859_100015361967 [0,1,0,0,0,0|3,0,0]=4 3308 B10R0.4 CC(C)CCCCCOCF 7a_100011995859_100015361967 [0,1,0,0,0,0|3,0,0]=4 3309 B10R0.4 CC(C)CCCCCSCF 62a_100000210682_100015361967 [0,1,0,0,0,0|3,0,0]=4 3310 B10R0.4 CC(C)CCCCCSCF 62a_100015361967_100000210682 [0,1,0,0,0,0|3,0,0]=4 3311 B10R0.4 CC(C)CCCCNCCF 34a_100000724931_100011216152 [0,1,0,0,0,0|3,0,0]=4 3312 B10R0.4 CC(C)CCCCNCCO 2230a_100016997473_100011216152 [0,1,0,0,0,0|3,0,0]=4 3313 B10R0.4 CC(C)CCCCNCCO 34a_100016990907_100011216152 [0,1,0,0,0,0|3,0,0]=4 3314 B10R0.4 CC(C)CCCCOCCBr 34a_100000211926_100011216152 [0,1,0,0,0,0|3,0,0]=4 3315 B10R0.4 CC(C)CCCCOCCF 34a_100011214890_100011217306 [0,1,0,0,0,0|3,0,0]=4 3316 B10R0.4 CC(C)CCCCOCCF 7a_100011214890_100011217306 [0,1,0,0,0,0|3,0,0]=4 3317 B10R0.4 CC(C)CCCCOCCN 34a_100000210304_100011216152 [0,1,0,0,0,0|3,0,0]=4 3318 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [0,1,0,0,0,0|3,0,0]=4 3319 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [0,1,0,0,0,0|3,0,0]=4 3320 B10R0.4 CC(C)CCCCSCCF 62a_100011216152_100011217306 [0,1,0,0,0,0|3,0,0]=4 3321 B10R0.4 CC(C)CCCCSCCF 62a_100011217306_100011216152 [0,1,0,0,0,0|3,0,0]=4 3322 B10R0.4 CC(C)CCCCSCCO 62a_100000211926_100011216152 [0,1,0,0,0,0|3,0,0]=4 3323 B10R0.4 CC(C)CCCCSCCO 62a_100011216152_100000211926 [0,1,0,0,0,0|3,0,0]=4 3324 B10R0.4 CC(C)CCCNCCC#N 2230a_200000737386_100011215226 [0,1,0,0,0,0|2,0,1]=4 3325 B10R0.4 CC(C)CCCNCCCF 2230a_100015189416_100011214892 [0,1,0,0,0,0|2,0,0]=3 3326 B10R0.4 CC(C)CCCNCCCF 2230a_200000737386_100011934791 [0,1,0,0,0,0|2,0,0]=3 3327 B10R0.4 CC(C)CCCNCCCF 34a_100015189416_100011214892 [0,1,0,0,0,0|2,0,0]=3 3328 B10R0.4 CC(C)CCCNCCCF 34a_200000737386_100011934791 [0,1,0,0,0,0|2,0,0]=3 3329 B10R0.4 CC(C)CCCNCCCO 2230a_200000737386_100000230001 [0,1,0,0,0,0|2,0,0]=3 3330 B10R0.4 CC(C)CCCNCCCO 34a_200000737386_100000230001 [0,1,0,0,0,0|2,0,0]=3 3331 B10R0.4 CC(C)CCCOCCC#N 7a_100000210774_100000184422 [0,1,0,0,0,0|1,0,1]=3 3332 B10R0.4 CC(C)CCCOCCCBr 34a_100011217188_100011214892 [0,1,0,0,0,0|1,0,0]=2 3333 B10R0.4 CC(C)CCCOCCCCl 34a_100000230001_100011214892 [0,1,0,0,0,0|1,0,0]=2 3334 B10R0.4 CC(C)CCCOCCCF 34a_100000210774_100011934791 [0,1,0,0,0,0|1,0,0]=2 3335 B10R0.4 CC(C)CCCOCCCF 34a_100000759539_100011214892 [0,1,0,0,0,0|1,0,0]=2 3336 B10R0.4 CC(C)CCCOCCCF 7a_100000210774_100011934791 [0,1,0,0,0,0|1,0,0]=2 3337 B10R0.4 CC(C)CCCOCCCN 34a_100000182051_100011214892 [0,1,0,0,0,0|1,0,0]=2 3338 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [0,1,0,0,0,0|1,0,0]=2 3339 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [0,1,0,0,0,0|1,0,0]=2 3340 B10R0.4 CC(C)CCCOCCON 34a_100000700252_100011214892 [0,1,0,0,0,0|2,0,0]=3 3341 B10R0.4 CC(C)CCCSCCC#N 62a_100011214892_100011215226 [0,1,0,0,0,0|1,1,1]=4 3342 B10R0.4 CC(C)CCCSCCC#N 62a_100011215226_100011214892 [0,1,0,0,0,0|1,1,1]=4 3343 B10R0.4 CC(C)CCCSCCCF 62a_100011214892_100011934791 [0,1,0,0,0,0|1,1,0]=3 3344 B10R0.4 CC(C)CCCSCCCF 62a_100011934791_100011214892 [0,1,0,0,0,0|1,1,0]=3 3345 B10R0.4 CC(C)CCCSCCCO 62a_100011214892_100011215043 [0,1,0,0,0,0|1,1,0]=3 3346 B10R0.4 CC(C)CCCSCCCO 62a_100011215043_100011214892 [0,1,0,0,0,0|1,1,0]=3 3347 B10R0.4 CC(C)CCNCCCCO 2230a_100000750430_100000210312 [0,1,0,0,0,0|2,0,0]=3 3348 B10R0.4 CC(C)CCNCCCCO 269862a_100000750430_100000185833 [0,1,0,0,0,0|2,0,0]=3 3349 B10R0.4 CC(C)CCNCCCCO 34a_100000750430_100000210312 [0,1,0,0,0,0|2,0,0]=3 3350 B10R0.4 CC(C)CCOCC#CCCl 34a_200000047223_100000210312 [0,1,0,0,0,0|1,0,2]=4 3351 B10R0.4 CC(C)CCOCC#CCO 34a_100000210254_200000047223 [0,1,0,0,0,0|1,0,2]=4 3352 B10R0.4 CC(C)CCOCC#CCO 7a_100000210254_200000047223 [0,1,0,0,0,0|1,0,2]=4 3353 B10R0.4 CC(C)CCOCCCC#N 7a_100000210254_100000687738 [0,1,0,0,0,0|1,0,1]=3 3354 B10R0.4 CC(C)CCOCCCC=O 7a_100000210254_200011292268 [0,1,0,0,0,0|1,0,1]=3 3355 B10R0.4 CC(C)CCOCCCCBr 34a_100011216708_100000210312 [0,1,0,0,0,0|1,0,0]=2 3356 B10R0.4 CC(C)CCOCCCCCl 34a_100000210776_100000210312 [0,1,0,0,0,0|1,0,0]=2 3357 B10R0.4 CC(C)CCOCCCCCl 7a_100000210776_100000210626 [0,1,0,0,0,0|1,0,0]=2 3358 B10R0.4 CC(C)CCOCCCCF 34a_100000210254_100000729493 [0,1,0,0,0,0|1,0,0]=2 3359 B10R0.4 CC(C)CCOCCCCF 34a_100011995726_100000210312 [0,1,0,0,0,0|1,0,0]=2 3360 B10R0.4 CC(C)CCOCCCCF 7a_100000210254_100000729493 [0,1,0,0,0,0|1,0,0]=2 3361 B10R0.4 CC(C)CCOCCCCF 7a_100011995726_100000210626 [0,1,0,0,0,0|1,0,0]=2 3362 B10R0.4 CC(C)CCOCCCCI 34a_200012148704_100000210312 [0,1,0,0,0,0|1,0,0]=2 3363 B10R0.4 CC(C)CCOCCCCN 34a_100000750430_100000210312 [0,1,0,0,0,0|1,0,0]=2 3364 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [0,1,0,0,0,0|1,0,0]=2 3365 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [0,1,0,0,0,0|1,0,0]=2 3366 B10R0.4 CC(C)CCSCCCC#N 62a_100000210312_100000687738 [0,1,0,0,0,0|1,1,1]=4 3367 B10R0.4 CC(C)CCSCCCC#N 62a_100000687738_100000210312 [0,1,0,0,0,0|1,1,1]=4 3368 B10R0.4 CC(C)CCSCCCC=O 62a_100000210312_200011292268 [0,1,0,0,0,0|1,1,1]=4 3369 B10R0.4 CC(C)CCSCCCC=O 62a_200011292268_100000210312 [0,1,0,0,0,0|1,1,1]=4 3370 B10R0.4 CC(C)CCSCCCCF 62a_100000210312_100000729493 [0,1,0,0,0,0|1,1,0]=3 3371 B10R0.4 CC(C)CCSCCCCF 62a_100000729493_100000210312 [0,1,0,0,0,0|1,1,0]=3 3372 B10R0.4 CC(C)CCSCCCCO 62a_100000210312_100000210776 [0,1,0,0,0,0|1,1,0]=3 3373 B10R0.4 CC(C)CCSCCCCO 62a_100000210776_100000210312 [0,1,0,0,0,0|1,1,0]=3 3374 B10R0.4 CC(C)CNCCCCCF 2230a_100000210953_100000729378 [0,1,0,0,0,0|3,0,0]=4 3375 B10R0.4 CC(C)CNCCCCCF 34a_100000210953_100000729378 [0,1,0,0,0,0|3,0,0]=4 3376 B10R0.4 CC(C)CNCCCCCO 2230a_100000210953_100000746330 [0,1,0,0,0,0|3,0,0]=4 3377 B10R0.4 CC(C)CNCCCCCO 2230a_100000762737_100000210760 [0,1,0,0,0,0|3,0,0]=4 3378 B10R0.4 CC(C)CNCCCCCO 270004a_100000762737_100000210432 [0,1,0,0,0,0|3,0,0]=4 3379 B10R0.4 CC(C)CNCCCCCO 34a_100000210953_100000746330 [0,1,0,0,0,0|3,0,0]=4 3380 B10R0.4 CC(C)CNCCCCCO 34a_100000762737_100000210624 [0,1,0,0,0,0|3,0,0]=4 3381 B10R0.4 CC(C)COCCCCCBr 34a_100000746331_100000210624 [0,1,0,0,0,0|3,0,0]=4 3382 B10R0.4 CC(C)COCCCCCBr 7a_100000746331_100000210760 [0,1,0,0,0,0|3,0,0]=4 3383 B10R0.4 CC(C)COCCCCCCl 34a_100000746330_100000210624 [0,1,0,0,0,0|3,0,0]=4 3384 B10R0.4 CC(C)COCCCCCCl 7a_100000746330_100000210760 [0,1,0,0,0,0|3,0,0]=4 3385 B10R0.4 CC(C)COCCCCCF 34a_100000210257_100000729378 [0,1,0,0,0,0|3,0,0]=4 3386 B10R0.4 CC(C)COCCCCCI 34a_200012148887_100000210624 [0,1,0,0,0,0|3,0,0]=4 3387 B10R0.4 CC(C)COCCCCCI 7a_200012148887_100000210760 [0,1,0,0,0,0|3,0,0]=4 3388 B10R0.4 CC(C)COCCCCCN 34a_100000762737_100000210624 [0,1,0,0,0,0|3,0,0]=4 3389 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [0,1,0,0,0,0|3,0,0]=4 3390 B10R0.4 CC(C)CSCCCCCF 62a_100000210624_100000729378 [0,1,0,0,0,0|3,0,0]=4 3391 B10R0.4 CC(C)CSCCCCCF 62a_100000729378_100000210760 [0,1,0,0,0,0|3,0,0]=4 3392 B10R0.4 CC(C)CSCCCCCO 62a_100000210624_100000746330 [0,1,0,0,0,0|3,0,0]=4 3393 B10R0.4 CC(C)CSCCCCCO 62a_100000746330_100000210760 [0,1,0,0,0,0|3,0,0]=4 3394 B10R0.4 CC(C)NCCCCCCF 2230a_100138425928_100015922095 [0,1,0,0,0,0|3,0,0]=4 3395 B10R0.4 CC(C)NCCCCCCF 34a_100138425928_100015922095 [0,1,0,0,0,0|3,0,0]=4 3396 B10R0.4 CC(C)NCCCCCCO 2230a_100000686447_100000210206 [0,1,0,0,0,0|3,0,0]=4 3397 B10R0.4 CC(C)NCCCCCCO 2230a_100138425928_100000766143 [0,1,0,0,0,0|3,0,0]=4 3398 B10R0.4 CC(C)NCCCCCCO 34a_100000686447_100000210206 [0,1,0,0,0,0|3,0,0]=4 3399 B10R0.4 CC(C)NCCCCCCO 34a_100138425928_100000766143 [0,1,0,0,0,0|3,0,0]=4 3400 B10R0.4 CC(C)NCCCCCO[13CH3] 34a_100011629493_200025704644 [0,1,0,0,0,0|3,0,0]=4 3401 B10R0.4 CC(C)NCCOCCCF 34a_100000224655_100011934791 [0,1,0,0,0,0|2,0,0]=3 3402 B10R0.4 CC(C)NCCOCCCO 34a_100000224655_100000230001 [0,1,0,0,0,0|2,0,0]=3 3403 B10R0.4 CC(C)OCCCCCCBr 34a_100011215345_100000210206 [0,1,0,0,0,0|3,0,0]=4 3404 B10R0.4 CC(C)OCCCCCCBr 7a_100011215345_100000210206 [0,1,0,0,0,0|3,0,0]=4 3405 B10R0.4 CC(C)OCCCCCCCl 34a_100000766143_100000210206 [0,1,0,0,0,0|3,0,0]=4 3406 B10R0.4 CC(C)OCCCCCCCl 7a_100000766143_100000210206 [0,1,0,0,0,0|3,0,0]=4 3407 B10R0.4 CC(C)OCCCCCCF 34a_100000212225_100015922095 [0,1,0,0,0,0|3,0,0]=4 3408 B10R0.4 CC(C)OCCCCCCF 34a_100000732779_100000210206 [0,1,0,0,0,0|3,0,0]=4 3409 B10R0.4 CC(C)OCCCCCCF 7a_100000732779_100000210206 [0,1,0,0,0,0|3,0,0]=4 3410 B10R0.4 CC(C)OCCCCCCN 34a_100000686447_100000210206 [0,1,0,0,0,0|3,0,0]=4 3411 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [0,1,0,0,0,0|3,0,0]=4 3412 B10R0.4 CC(C)OCCNCCCF 2230a_100000701111_100011934791 [0,1,0,0,0,0|3,0,0]=4 3413 B10R0.4 CC(C)OCCNCCCF 2230a_100015189416_100000211751 [0,1,0,0,0,0|3,0,0]=4 3414 B10R0.4 CC(C)OCCNCCCF 34a_100000701111_100011934791 [0,1,0,0,0,0|3,0,0]=4 3415 B10R0.4 CC(C)OCCNCCCF 34a_100015189416_100000211751 [0,1,0,0,0,0|3,0,0]=4 3416 B10R0.4 CC(C)OCCNCCCO 2230a_100000701111_100000230001 [0,1,0,0,0,0|3,0,0]=4 3417 B10R0.4 CC(C)OCCNCCCO 34a_100000701111_100000230001 [0,1,0,0,0,0|3,0,0]=4 3418 B10R0.4 CC(C)OCCOCCC#N 7a_100000211219_100000184422 [0,1,0,0,0,0|2,0,1]=4 3419 B10R0.4 CC(C)OCCOCCCBr 34a_100011217188_100000211751 [0,1,0,0,0,0|2,0,0]=3 3420 B10R0.4 CC(C)OCCOCCCCl 34a_100000230001_100000211751 [0,1,0,0,0,0|2,0,0]=3 3421 B10R0.4 CC(C)OCCOCCCF 34a_100000211219_100011934791 [0,1,0,0,0,0|2,0,0]=3 3422 B10R0.4 CC(C)OCCOCCCF 34a_100000759539_100000211751 [0,1,0,0,0,0|2,0,0]=3 3423 B10R0.4 CC(C)OCCOCCCF 7a_100000211219_100011934791 [0,1,0,0,0,0|2,0,0]=3 3424 B10R0.4 CC(C)OCCOCCCN 34a_100000182051_100000211751 [0,1,0,0,0,0|2,0,0]=3 3425 B10R0.4 CC(C)OCCOCCCO 34a_100000211219_100000230001 [0,1,0,0,0,0|2,0,0]=3 3426 B10R0.4 CC(C)OCCOCCCO 7a_100000211219_100011215043 [0,1,0,0,0,0|2,0,0]=3 3427 B10R0.4 CC(C)OCCOCCON 34a_100000700252_100000211751 [0,1,0,0,0,0|3,0,0]=4 3428 B10R0.4 CC(C)OCCSCCCF 62a_100000211751_100011934791 [0,1,0,0,0,0|2,1,0]=4 3429 B10R0.4 CC(C)OCCSCCCF 62a_100011934791_100000211751 [0,1,0,0,0,0|2,1,0]=4 3430 B10R0.4 CC(C)OCCSCCCO 62a_100000211751_100011215043 [0,1,0,0,0,0|2,1,0]=4 3431 B10R0.4 CC(C)OCCSCCCO 62a_100011215043_100000211751 [0,1,0,0,0,0|2,1,0]=4 3432 B10R0.4 CC(C)OCNCCCCO 2230a_100000750430_100000709892 [0,1,0,0,0,0|3,0,0]=4 3433 B10R0.4 CC(C)OCNCCCCO 34a_100000750430_100000709892 [0,1,0,0,0,0|3,0,0]=4 3434 B10R0.4 CC(C)OCOCCCCBr 34a_100011216708_100000709892 [0,1,0,0,0,0|2,0,0]=3 3435 B10R0.4 CC(C)OCOCCCCCl 34a_100000210776_100000709892 [0,1,0,0,0,0|2,0,0]=3 3436 B10R0.4 CC(C)OCOCCCCF 34a_100011995726_100000709892 [0,1,0,0,0,0|2,0,0]=3 3437 B10R0.4 CC(C)OCOCCCCI 34a_200012148704_100000709892 [0,1,0,0,0,0|2,0,0]=3 3438 B10R0.4 CC(C)OCOCCCCN 34a_100000750430_100000709892 [0,1,0,0,0,0|2,0,0]=3 3439 B10R0.4 CC(C)OCSCCCCF 62a_100000709892_100000729493 [0,1,0,0,0,0|2,1,0]=4 3440 B10R0.4 CC(C)OCSCCCCF 62a_100000729493_100000709892 [0,1,0,0,0,0|2,1,0]=4 3441 B10R0.4 CC(C)OCSCCCCO 62a_100000210776_100000709892 [0,1,0,0,0,0|2,1,0]=4 3442 B10R0.4 CC(C)OCSCCCCO 62a_100000709892_100000210776 [0,1,0,0,0,0|2,1,0]=4 3443 B10R0.4 CC(C)SCCCCCCF 62a_100000210206_100015922095 [0,1,0,0,0,0|3,0,0]=4 3444 B10R0.4 CC(C)SCCCCCCF 62a_100015922095_100000210206 [0,1,0,0,0,0|3,0,0]=4 3445 B10R0.4 CC(C)SCCCCCCO 62a_100000210206_100000766143 [0,1,0,0,0,0|3,0,0]=4 3446 B10R0.4 CC(C)SCCCCCCO 62a_100000766143_100000210206 [0,1,0,0,0,0|3,0,0]=4 3447 B10R0.4 CC(C)SCCNCCCF 2230a_100000731138_100011934791 [0,1,0,0,0,0|3,0,0]=4 3448 B10R0.4 CC(C)SCCNCCCF 2230a_100015189416_100000730970 [0,1,0,0,0,0|3,0,0]=4 3449 B10R0.4 CC(C)SCCNCCCF 34a_100000731138_100011934791 [0,1,0,0,0,0|3,0,0]=4 3450 B10R0.4 CC(C)SCCNCCCF 34a_100015189416_100000730970 [0,1,0,0,0,0|3,0,0]=4 3451 B10R0.4 CC(C)SCCNCCCO 2230a_100000731138_100000230001 [0,1,0,0,0,0|3,0,0]=4 3452 B10R0.4 CC(C)SCCNCCCO 34a_100000731138_100000230001 [0,1,0,0,0,0|3,0,0]=4 3453 B10R0.4 CC(C)SCCOCCC#N 7a_200011212901_100000184422 [0,1,0,0,0,0|2,0,1]=4 3454 B10R0.4 CC(C)SCCOCCCBr 34a_100011217188_100000730970 [0,1,0,0,0,0|2,0,0]=3 3455 B10R0.4 CC(C)SCCOCCCCl 34a_100000230001_100000730970 [0,1,0,0,0,0|2,0,0]=3 3456 B10R0.4 CC(C)SCCOCCCF 34a_100000759539_100000730970 [0,1,0,0,0,0|2,0,0]=3 3457 B10R0.4 CC(C)SCCOCCCF 34a_200011212901_100011934791 [0,1,0,0,0,0|2,0,0]=3 3458 B10R0.4 CC(C)SCCOCCCF 7a_200011212901_100011934791 [0,1,0,0,0,0|2,0,0]=3 3459 B10R0.4 CC(C)SCCOCCCN 34a_100000182051_100000730970 [0,1,0,0,0,0|2,0,0]=3 3460 B10R0.4 CC(C)SCCOCCCO 34a_200011212901_100000230001 [0,1,0,0,0,0|2,0,0]=3 3461 B10R0.4 CC(C)SCCOCCCO 7a_200011212901_100011215043 [0,1,0,0,0,0|2,0,0]=3 3462 B10R0.4 CC(C)SCCOCCON 34a_100000700252_100000730970 [0,1,0,0,0,0|3,0,0]=4 3463 B10R0.4 CC(C)SCCSCCCF 62a_100000730970_100011934791 [0,1,0,0,0,0|2,1,0]=4 3464 B10R0.4 CC(C)SCCSCCCF 62a_100011934791_100000730970 [0,1,0,0,0,0|2,1,0]=4 3465 B10R0.4 CC(C)SCCSCCCO 62a_100000730970_100011215043 [0,1,0,0,0,0|2,1,0]=4 3466 B10R0.4 CC(C)SCCSCCCO 62a_100011215043_100000730970 [0,1,0,0,0,0|2,1,0]=4 3467 B10R0.4 CC(F)COCCCCCF 34a_100015925927_100000729378 [0,1,0,0,0,0|3,0,0]=4 3468 B10R0.4 CC(F)COCCCCCO 34a_100015925927_100000746330 [0,1,0,0,0,0|3,0,0]=4 3469 B10R0.4 CC(O)CCCNCCCF 2230a_100015189416_200000718107 [0,1,0,0,0,0|2,0,0]=3 3470 B10R0.4 CC(O)CCCNCCCF 34a_100015189416_200000718107 [0,1,0,0,0,0|2,0,0]=3 3471 B10R0.4 CC(O)CCCOCCCBr 34a_100011217188_200000718107 [0,1,0,0,0,0|1,0,0]=2 3472 B10R0.4 CC(O)CCCOCCCCl 34a_100000230001_200000718107 [0,1,0,0,0,0|1,0,0]=2 3473 B10R0.4 CC(O)CCCOCCCF 34a_100000759539_200000718107 [0,1,0,0,0,0|1,0,0]=2 3474 B10R0.4 CC(O)CCCOCCCN 34a_100000182051_200000718107 [0,1,0,0,0,0|1,0,0]=2 3475 B10R0.4 CC(O)CCCOCCON 34a_100000700252_200000718107 [0,1,0,0,0,0|2,0,0]=3 3476 B10R0.4 CC(O)CCCSCCC#N 62a_100011215226_200000718107 [0,1,0,0,0,0|1,1,1]=4 3477 B10R0.4 CC(O)CCCSCCC#N 62a_200000718107_100011215226 [0,1,0,0,0,0|1,1,1]=4 3478 B10R0.4 CC(O)CCCSCCCF 62a_100011934791_200000718107 [0,1,0,0,0,0|1,1,0]=3 3479 B10R0.4 CC(O)CCCSCCCF 62a_200000718107_100011934791 [0,1,0,0,0,0|1,1,0]=3 3480 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [0,1,0,0,0,0|1,1,0]=3 3481 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [0,1,0,0,0,0|1,1,0]=3 3482 B10R0.4 CC(O)CCNCCCC#N 2230a_200000755665_100000687738 [0,1,0,0,0,0|2,0,1]=4 3483 B10R0.4 CC(O)CCNCCCC=O 2230a_200000755665_200011292268 [0,1,0,0,0,0|2,0,1]=4 3484 B10R0.4 CC(O)CCNCCCCF 2230a_200000755665_100000729493 [0,1,0,0,0,0|2,0,0]=3 3485 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [0,1,0,0,0,0|2,0,0]=3 3486 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [0,1,0,0,0,0|2,0,0]=3 3487 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [0,1,0,0,0,0|2,0,0]=3 3488 B10R0.4 CC(O)CCOCC#CCCl 34a_200000047223_100012276601 [0,1,0,0,0,0|1,0,2]=4 3489 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [0,1,0,0,0,0|1,0,0]=2 3490 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [0,1,0,0,0,0|1,0,0]=2 3491 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [0,1,0,0,0,0|1,0,0]=2 3492 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [0,1,0,0,0,0|1,0,0]=2 3493 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [0,1,0,0,0,0|1,0,0]=2 3494 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [0,1,0,0,0,0|1,0,0]=2 3495 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [0,1,0,0,0,0|1,0,0]=2 3496 B10R0.4 CC(O)CCSCCCC#N 62a_100000687738_100012276601 [0,1,0,0,0,0|1,1,1]=4 3497 B10R0.4 CC(O)CCSCCCC#N 62a_100012276601_100000687738 [0,1,0,0,0,0|1,1,1]=4 3498 B10R0.4 CC(O)CCSCCCC=O 62a_100012276601_200011292268 [0,1,0,0,0,0|1,1,1]=4 3499 B10R0.4 CC(O)CCSCCCC=O 62a_200011292268_100012276601 [0,1,0,0,0,0|1,1,1]=4 3500 B10R0.4 CC(O)CCSCCCCF 62a_100000729493_100012276601 [0,1,0,0,0,0|1,1,0]=3 3501 B10R0.4 CC(O)CCSCCCCF 62a_100012276601_100000729493 [0,1,0,0,0,0|1,1,0]=3 3502 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [0,1,0,0,0,0|1,1,0]=3 3503 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [0,1,0,0,0,0|1,1,0]=3 3504 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [0,1,0,0,0,0|3,0,0]=4 3505 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [0,1,0,0,0,0|3,0,0]=4 3506 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [0,1,0,0,0,0|3,0,0]=4 3507 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [0,1,0,0,0,0|3,0,0]=4 3508 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [0,1,0,0,0,0|3,0,0]=4 3509 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [0,1,0,0,0,0|3,0,0]=4 3510 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [0,1,0,0,0,0|3,0,0]=4 3511 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [0,1,0,0,0,0|3,0,0]=4 3512 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [0,1,0,0,0,0|3,0,0]=4 3513 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [0,1,0,0,0,0|3,0,0]=4 3514 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [0,1,0,0,0,0|3,0,0]=4 3515 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [0,1,0,0,0,0|3,0,0]=4 3516 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [0,1,0,0,0,0|3,0,0]=4 3517 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [0,1,0,0,0,0|3,0,0]=4 3518 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [0,1,0,0,0,0|3,0,0]=4 3519 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [0,1,0,0,0,0|3,0,0]=4 3520 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [0,1,0,0,0,0|3,0,0]=4 3521 B10R0.4 CC/C=C\CNCCC(C)O 2230a_200000755665_100103147603 [0,1,0,0,0,0|1,0,2]=4 3522 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [0,1,0,0,0,0|0,0,3]=4 3523 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [0,1,0,0,0,0|0,0,3]=4 3524 B10R0.4 CC/C=C\COCCC(C)Br 34a_100009893172_100103147603 [0,1,0,0,0,0|0,0,2]=3 3525 B10R0.4 CC/C=C\COCCC(C)C 34a_100000210254_100103147603 [0,1,0,0,0,0|0,0,2]=3 3526 B10R0.4 CC/C=C\COCCC(C)C 34a_100016268518_100000210312 [0,1,0,0,0,0|0,0,2]=3 3527 B10R0.4 CC/C=C\COCCC(C)C 7a_100000210254_100103147603 [0,1,0,0,0,0|0,0,2]=3 3528 B10R0.4 CC/C=C\COCCC(C)O 34a_100016268518_100012276601 [0,1,0,0,0,0|0,0,2]=3 3529 B10R0.4 CC/C=C\COCCC(F)F 34a_100103093639_100103147603 [0,1,0,0,0,0|1,0,2]=4 3530 B10R0.4 CC/C=C\COCC[C@@H](C)N 34a_100000706166_100103147603 [0,1,0,0,0,0|0,0,2]=3 3531 B10R0.4 CC/C=C\COCOC(C)C 34a_100016268518_100000709892 [0,1,0,0,0,0|1,0,2]=4 3532 B10R0.4 CC/C=C\CSCCC(C)C 62a_100000210312_100103147603 [0,1,0,0,0,0|0,1,2]=4 3533 B10R0.4 CC/C=C\CSCCC(C)C 62a_100103147603_100000210312 [0,1,0,0,0,0|0,1,2]=4 3534 B10R0.4 CC/C=C\CSCCC(C)O 62a_100012276601_100103147603 [0,1,0,0,0,0|0,1,2]=4 3535 B10R0.4 CC/C=C\CSCCC(C)O 62a_100103147603_100012276601 [0,1,0,0,0,0|0,1,2]=4 3536 B10R0.4 CC=CCNCCCC(C)C 2230a_200000737386_100000070051 [0,1,0,0,0,0|1,0,2]=4 3537 B10R0.4 CC=CCNCCCC(C)C 34a_200000737386_100000070051 [0,1,0,0,0,0|1,0,2]=4 3538 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [0,1,0,0,0,0|0,0,3]=4 3539 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [0,1,0,0,0,0|0,0,3]=4 3540 B10R0.4 CC=CCOCCCC(C)C 34a_100000210774_100000070051 [0,1,0,0,0,0|0,0,2]=3 3541 B10R0.4 CC=CCOCCCC(C)C 7a_100000210774_100000070051 [0,1,0,0,0,0|0,0,2]=3 3542 B10R0.4 CC=CCOCCNC(C)C 34a_100000224655_100000070051 [0,1,0,0,0,0|1,0,2]=4 3543 B10R0.4 CC=CCOCCOC(C)C 34a_100000211219_100000070051 [0,1,0,0,0,0|1,0,2]=4 3544 B10R0.4 CC=CCOCCOC(C)C 7a_100000211219_100000070051 [0,1,0,0,0,0|1,0,2]=4 3545 B10R0.4 CC=CCOCCSC(C)C 34a_200011212901_100000070051 [0,1,0,0,0,0|1,0,2]=4 3546 B10R0.4 CC=CCOCCSC(C)C 7a_200011212901_100000070051 [0,1,0,0,0,0|1,0,2]=4 3547 B10R0.4 CC=CCSCCCC(C)C 62a_100000070051_100011214892 [0,1,0,0,0,0|0,1,2]=4 3548 B10R0.4 CC=CCSCCCC(C)C 62a_100011214892_100000070051 [0,1,0,0,0,0|0,1,2]=4 3549 B10R0.4 CC=CCSCCCC(C)O 62a_100000070051_200000718107 [0,1,0,0,0,0|0,1,2]=4 3550 B10R0.4 CC=CCSCCCC(C)O 62a_200000718107_100000070051 [0,1,0,0,0,0|0,1,2]=4 3551 B10R0.4 CCC#CCNCCC(C)O 2230a_200000755665_100009813939 [0,1,0,0,0,0|1,0,2]=4 3552 B10R0.4 CCC#CCOCCC(=O)C 34a_100000759926_100009813939 [0,1,0,0,0,0|0,0,3]=4 3553 B10R0.4 CCC#CCOCCC(=O)C 7a_100000759926_100009813939 [0,1,0,0,0,0|0,0,3]=4 3554 B10R0.4 CCC#CCOCCC(C)Br 34a_100009893172_100009813939 [0,1,0,0,0,0|0,0,2]=3 3555 B10R0.4 CCC#CCOCCC(C)C 34a_100000032950_100000210312 [0,1,0,0,0,0|0,0,2]=3 3556 B10R0.4 CCC#CCOCCC(C)C 34a_100000210254_100009813939 [0,1,0,0,0,0|0,0,2]=3 3557 B10R0.4 CCC#CCOCCC(C)C 7a_100000210254_100009813939 [0,1,0,0,0,0|0,0,2]=3 3558 B10R0.4 CCC#CCOCCC(C)O 34a_100000032950_100012276601 [0,1,0,0,0,0|0,0,2]=3 3559 B10R0.4 CCC#CCOCCC(F)F 34a_100103093639_100009813939 [0,1,0,0,0,0|1,0,2]=4 3560 B10R0.4 CCC#CCOCC[C@@H](C)N 34a_100000706166_100009813939 [0,1,0,0,0,0|0,0,2]=3 3561 B10R0.4 CCC#CCOCOC(C)C 34a_100000032950_100000709892 [0,1,0,0,0,0|1,0,2]=4 3562 B10R0.4 CCC#CCSCCC(C)C 62a_100000210312_100009813939 [0,1,0,0,0,0|0,1,2]=4 3563 B10R0.4 CCC#CCSCCC(C)C 62a_100009813939_100000210312 [0,1,0,0,0,0|0,1,2]=4 3564 B10R0.4 CCC#CCSCCC(C)O 62a_100009813939_100012276601 [0,1,0,0,0,0|0,1,2]=4 3565 B10R0.4 CCC#CCSCCC(C)O 62a_100012276601_100009813939 [0,1,0,0,0,0|0,1,2]=4 3566 B10R0.4 CCC/C=C/COCC(C)C 34a_100016278788_100000210624 [0,1,0,0,0,0|2,0,1]=4 3567 B10R0.4 CCC/C=C/COCC(C)C 7a_100016278788_100000210760 [0,1,0,0,0,0|2,0,1]=4 3568 B10R0.4 CCC/C=C/COCC(C)O 34a_100016278788_100011218427 [0,1,0,0,0,0|2,0,1]=4 3569 B10R0.4 CCC/C=C/COCC(C)O 7a_100016278788_100011218427 [0,1,0,0,0,0|2,0,1]=4 3570 B10R0.4 CCC/C=C/COC[C@@H](C)O 34a_100016278788_100009817552 [0,1,0,0,0,0|2,0,1]=4 3571 B10R0.4 CCC/C=C/COC[C@@H](C)O 7a_100016278788_100009817552 [0,1,0,0,0,0|2,0,1]=4 3572 B10R0.4 CCCC#CCCOC(C)C 34a_100000042726_100000210206 [0,1,0,0,0,0|2,0,1]=4 3573 B10R0.4 CCCC#CCCOC(C)C 7a_100000042726_100000210206 [0,1,0,0,0,0|2,0,1]=4 3574 B10R0.4 CCCC#CCOCC(C)C 34a_100000034806_100000210624 [0,1,0,0,0,0|2,0,1]=4 3575 B10R0.4 CCCC#CCOCC(C)C 7a_100000034806_100000210760 [0,1,0,0,0,0|2,0,1]=4 3576 B10R0.4 CCCC#CCOCC(C)O 34a_100000034806_100011218427 [0,1,0,0,0,0|2,0,1]=4 3577 B10R0.4 CCCC#CCOCC(C)O 7a_100000034806_100011218427 [0,1,0,0,0,0|2,0,1]=4 3578 B10R0.4 CCCC#CCOC[C@@H](C)O 34a_100000034806_100009817552 [0,1,0,0,0,0|2,0,1]=4 3579 B10R0.4 CCCC#CCOC[C@@H](C)O 7a_100000034806_100009817552 [0,1,0,0,0,0|2,0,1]=4 3580 B10R0.4 CCCC/C=C/COC(C)C 34a_200016272032_100000210206 [0,1,0,0,0,0|2,0,1]=4 3581 B10R0.4 CCCC/C=C/COC(C)C 7a_200016272032_100000210206 [0,1,0,0,0,0|2,0,1]=4 3582 B10R0.4 CCCCC#CCOC(C)C 34a_200000034558_100000210206 [0,1,0,0,0,0|2,0,1]=4 3583 B10R0.4 CCCCC#CCOC(C)C 7a_200000034558_100000210206 [0,1,0,0,0,0|2,0,1]=4 3584 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,1,0,0,0,0|1,0,2]=4 3585 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,1,0,0,0,0|1,0,2]=4 3586 B10R0.4 CCCCC=NNCC(C)O 4a_200000730056_100000210104 [0,1,0,0,0,0|2,0,1]=4 3587 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,1,0,0,0,0|1,0,2]=4 3588 B10R0.4 CCCCCC#CCN(C)C 2230a_100102631434_100009816472 [0,1,0,0,0,0|2,0,1]=4 3589 B10R0.4 CCCCCC#CCN(C)C 269982a_100102631434_100009816472 [0,1,0,0,0,0|2,0,1]=4 3590 B10R0.4 CCCCCC=NNC(C)C 4a_100000741168_100000737632 [0,1,0,0,0,0|3,0,0]=4 3591 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,1,0,0,0,0|1,0,1]=3 3592 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,1,0,0,0,0|1,0,1]=3 3593 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,1,0,0,0,0|1,0,1]=3 3594 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [0,1,0,0,0,0|2,0,0]=3 3595 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [0,1,0,0,0,0|2,0,0]=3 3596 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [0,1,0,0,0,0|2,0,0]=3 3597 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [0,1,0,0,0,0|2,0,0]=3 3598 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [0,1,0,0,0,0|2,0,0]=3 3599 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [0,1,0,0,0,0|2,0,0]=3 3600 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,1,0,0,0,0|2,0,1]=4 3601 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,1,0,0,0,0|2,0,1]=4 3602 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,1,0,0,0,0|2,0,1]=4 3603 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,1,0,0,0,0|2,0,1]=4 3604 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [0,1,0,0,0,0|2,0,0]=3 3605 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [0,1,0,0,0,0|2,0,0]=3 3606 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [0,1,0,0,0,0|2,0,0]=3 3607 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [0,1,0,0,0,0|2,0,0]=3 3608 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [0,1,0,0,0,0|2,0,0]=3 3609 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [0,1,0,0,0,0|2,0,0]=3 3610 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [0,1,0,0,0,0|2,0,0]=3 3611 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [0,1,0,0,0,0|2,0,0]=3 3612 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [0,1,0,0,0,0|2,0,0]=3 3613 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [0,1,0,0,0,0|2,0,0]=3 3614 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [0,1,0,0,0,0|2,0,0]=3 3615 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [0,1,0,0,0,0|2,0,0]=3 3616 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,1,0,0,0,0|2,0,0]=3 3617 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,1,0,0,0,0|2,0,0]=3 3618 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,1,0,0,0,0|2,0,0]=3 3619 B10R0.4 CCCCCCNCC(F)F 2230a_100000210581_100011934356 [0,1,0,0,0,0|3,0,0]=4 3620 B10R0.4 CCCCCCNCC(F)F 34a_100000765723_100000210314 [0,1,0,0,0,0|3,0,0]=4 3621 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,1,0,0,0,0|2,0,0]=3 3622 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,1,0,0,0,0|2,0,1]=4 3623 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [0,1,0,0,0,0|2,0,0]=3 3624 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [0,1,0,0,0,0|2,0,0]=3 3625 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [0,1,0,0,0,0|2,0,0]=3 3626 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [0,1,0,0,0,0|2,0,0]=3 3627 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [0,1,0,0,0,0|2,0,0]=3 3628 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,1,0,0,0,0|2,0,0]=3 3629 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,1,0,0,0,0|2,0,0]=3 3630 B10R0.4 CCCCCCOCC(F)F 34a_100000210259_100011934356 [0,1,0,0,0,0|3,0,0]=4 3631 B10R0.4 CCCCCCOCC(F)F 34a_100000743014_100000210314 [0,1,0,0,0,0|3,0,0]=4 3632 B10R0.4 CCCCCCOCC(F)F 7a_100000210259_100011934356 [0,1,0,0,0,0|3,0,0]=4 3633 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [0,1,0,0,0,0|2,0,0]=3 3634 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [0,1,0,0,0,0|2,0,0]=3 3635 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,1,0,0,0,0|2,0,0]=3 3636 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,1,0,0,0,0|2,0,0]=3 3637 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [0,1,0,0,0,0|2,0,0]=3 3638 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [0,1,0,0,0,0|2,0,0]=3 3639 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,1,0,0,0,0|2,0,0]=3 3640 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,1,0,0,0,0|2,0,0]=3 3641 B10R0.4 CCCCCCSCC(F)F 62a_100000210314_100011934356 [0,1,0,0,0,0|3,0,0]=4 3642 B10R0.4 CCCCCCSCC(F)F 62a_100011934356_100000210757 [0,1,0,0,0,0|3,0,0]=4 3643 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,1,0,0,0,0|2,0,0]=3 3644 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,1,0,0,0,0|2,0,0]=3 3645 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [0,1,0,0,0,0|1,0,2]=4 3646 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [0,1,0,0,0,0|1,0,2]=4 3647 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,1,0,0,0,0|2,0,1]=4 3648 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [0,1,0,0,0,0|1,0,0]=2 3649 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [0,1,0,0,0,0|1,0,0]=2 3650 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [0,1,0,0,0,0|1,0,0]=2 3651 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [0,1,0,0,0,0|1,0,0]=2 3652 B10R0.4 CCCCCNCOC(C)C 2230a_100000209983_100000709892 [0,1,0,0,0,0|2,0,0]=3 3653 B10R0.4 CCCCCNN=CC(C)C 4a_100000694160_100000210432 [0,1,0,0,0,0|2,0,1]=4 3654 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [0,1,0,0,0,0|0,0,2]=3 3655 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [0,1,0,0,0,0|0,0,2]=3 3656 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [0,1,0,0,0,0|0,0,2]=3 3657 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,1,0,0,0,0|0,0,1]=2 3658 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,1,0,0,0,0|0,0,1]=2 3659 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,1,0,0,0,0|0,0,1]=2 3660 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,1,0,0,0,0|1,0,1]=3 3661 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,1,0,0,0,0|1,0,1]=3 3662 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,1,0,0,0,0|1,0,1]=3 3663 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,1,0,0,0,0|1,0,1]=3 3664 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [0,1,0,0,0,0|0,0,0]=1 3665 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [0,1,0,0,0,0|0,0,0]=1 3666 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [0,1,0,0,0,0|0,0,0]=1 3667 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [0,1,0,0,0,0|0,0,0]=1 3668 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [0,1,0,0,0,0|0,0,0]=1 3669 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [0,1,0,0,0,0|0,0,0]=1 3670 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [0,1,0,0,0,0|0,0,0]=1 3671 B10R0.4 CCCCCOCCC(F)F 34a_100103093639_100000718602 [0,1,0,0,0,0|1,0,0]=2 3672 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [0,1,0,0,0,0|1,0,0]=2 3673 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [0,1,0,0,0,0|0,0,0]=1 3674 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,1,0,0,0,0|1,0,1]=3 3675 B10R0.4 CCCCCOCOC(C)C 34a_100000210253_100000709892 [0,1,0,0,0,0|1,0,0]=2 3676 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [0,1,0,0,0,0|0,1,2]=4 3677 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [0,1,0,0,0,0|0,1,2]=4 3678 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,1,0,0,0,0|0,1,1]=3 3679 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,1,0,0,0,0|0,1,1]=3 3680 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,1,0,0,0,0|1,1,1]=4 3681 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,1,0,0,0,0|1,1,1]=4 3682 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [0,1,0,0,0,0|0,1,0]=2 3683 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [0,1,0,0,0,0|0,1,0]=2 3684 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [0,1,0,0,0,0|0,1,0]=2 3685 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [0,1,0,0,0,0|0,1,0]=2 3686 B10R0.4 CCCCCSCCN(C)C 62a_100000210326_100000755713 [0,1,0,0,0,0|1,1,0]=3 3687 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,1,0,0,0,0|1,1,1]=4 3688 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,1,0,0,0,0|1,1,1]=4 3689 B10R0.4 CCCCCSCOC(C)C 62a_100000210326_100000709892 [0,1,0,0,0,0|1,1,0]=3 3690 B10R0.4 CCCCCSCOC(C)C 62a_100000709892_100000210326 [0,1,0,0,0,0|1,1,0]=3 3691 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [0,1,0,0,0,0|1,0,2]=4 3692 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [0,1,0,0,0,0|1,0,2]=4 3693 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,1,0,0,0,0|1,0,1]=3 3694 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,1,0,0,0,0|2,0,1]=4 3695 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,1,0,0,0,0|2,0,1]=4 3696 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [0,1,0,0,0,0|1,0,0]=2 3697 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [0,1,0,0,0,0|1,0,0]=2 3698 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [0,1,0,0,0,0|1,0,0]=2 3699 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [0,1,0,0,0,0|1,0,0]=2 3700 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [0,1,0,0,0,0|1,0,0]=2 3701 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [0,1,0,0,0,0|1,0,0]=2 3702 B10R0.4 CCCCNCCCN(C)C 7a_106832991798_100000757444 [0,1,0,0,0,0|2,0,0]=3 3703 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,1,0,0,0,0|2,0,0]=3 3704 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,1,0,0,0,0|2,0,1]=4 3705 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,1,0,0,0,0|2,0,1]=4 3706 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,1,0,0,0,0|2,0,1]=4 3707 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,1,0,0,0,0|2,0,1]=4 3708 B10R0.4 CCCCNCCOC(C)C 2230a_100000102301_100000211751 [0,1,0,0,0,0|2,0,0]=3 3709 B10R0.4 CCCCNCCOC(C)C 2230a_100000701111_100000210211 [0,1,0,0,0,0|2,0,0]=3 3710 B10R0.4 CCCCNCCOC(C)C 34a_100000701111_100000210210 [0,1,0,0,0,0|2,0,0]=3 3711 B10R0.4 CCCCNCCOC(C)C 7a_106832991798_100000211751 [0,1,0,0,0,0|2,0,0]=3 3712 B10R0.4 CCCCNCCSC(C)C 2230a_100000102301_100000730970 [0,1,0,0,0,0|2,0,0]=3 3713 B10R0.4 CCCCNCCSC(C)C 2230a_100000731138_100000210211 [0,1,0,0,0,0|2,0,0]=3 3714 B10R0.4 CCCCNCCSC(C)C 34a_100000731138_100000210210 [0,1,0,0,0,0|2,0,0]=3 3715 B10R0.4 CCCCNCCSC(C)C 7a_106832991798_100000730970 [0,1,0,0,0,0|2,0,0]=3 3716 B10R0.4 CCCCNN=CCC(C)C 4a_100025702795_100000185833 [0,1,0,0,0,0|2,0,1]=4 3717 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [0,1,0,0,0,0|0,0,2]=3 3718 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [0,1,0,0,0,0|0,0,2]=3 3719 B10R0.4 CCCCOCCC=C(F)F 34a_100000210227_200009816681 [0,1,0,0,0,0|1,0,2]=4 3720 B10R0.4 CCCCOCCC=C(F)F 7a_100000210227_200009816681 [0,1,0,0,0,0|1,0,2]=4 3721 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,1,0,0,0,0|0,0,1]=2 3722 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,1,0,0,0,0|0,0,1]=2 3723 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,1,0,0,0,0|0,0,1]=2 3724 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,1,0,0,0,0|0,0,1]=2 3725 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,1,0,0,0,0|1,0,1]=3 3726 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,1,0,0,0,0|1,0,1]=3 3727 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [0,1,0,0,0,0|0,0,0]=1 3728 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [0,1,0,0,0,0|0,0,0]=1 3729 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [0,1,0,0,0,0|0,0,0]=1 3730 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [0,1,0,0,0,0|0,0,0]=1 3731 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [0,1,0,0,0,0|0,0,0]=1 3732 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [0,1,0,0,0,0|0,0,0]=1 3733 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [0,1,0,0,0,0|1,0,0]=2 3734 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [0,1,0,0,0,0|2,0,0]=3 3735 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,1,0,0,0,0|1,0,1]=3 3736 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,1,0,0,0,0|1,0,1]=3 3737 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [0,1,0,0,0,0|2,0,1]=4 3738 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [0,1,0,0,0,0|2,0,1]=4 3739 B10R0.4 CCCCOCCNC(C)C 2230a_100138425928_100000743108 [0,1,0,0,0,0|1,0,0]=2 3740 B10R0.4 CCCCOCCNC(C)C 34a_100000224655_100000210210 [0,1,0,0,0,0|1,0,0]=2 3741 B10R0.4 CCCCOCCNC(C)C 34a_100138425928_100000743108 [0,1,0,0,0,0|1,0,0]=2 3742 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,1,0,0,0,0|1,0,1]=3 3743 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,1,0,0,0,0|1,0,1]=3 3744 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,1,0,0,0,0|2,0,1]=4 3745 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,1,0,0,0,0|2,0,1]=4 3746 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,1,0,0,0,0|2,0,1]=4 3747 B10R0.4 CCCCOCCOC(C)C 34a_100000210227_100000211751 [0,1,0,0,0,0|1,0,0]=2 3748 B10R0.4 CCCCOCCOC(C)C 34a_100000210238_100000210206 [0,1,0,0,0,0|1,0,0]=2 3749 B10R0.4 CCCCOCCOC(C)C 34a_100000211219_100000210210 [0,1,0,0,0,0|1,0,0]=2 3750 B10R0.4 CCCCOCCOC(C)C 34a_100000212225_100000743108 [0,1,0,0,0,0|1,0,0]=2 3751 B10R0.4 CCCCOCCOC(C)C 7a_100000210227_100000211751 [0,1,0,0,0,0|1,0,0]=2 3752 B10R0.4 CCCCOCCOC(C)C 7a_100000210238_100000210206 [0,1,0,0,0,0|1,0,0]=2 3753 B10R0.4 CCCCOCCOC(C)C 7a_100000211219_100000210211 [0,1,0,0,0,0|1,0,0]=2 3754 B10R0.4 CCCCOCCSC(C)C 34a_100000210227_100000730970 [0,1,0,0,0,0|1,0,0]=2 3755 B10R0.4 CCCCOCCSC(C)C 34a_200011212901_100000210210 [0,1,0,0,0,0|1,0,0]=2 3756 B10R0.4 CCCCOCCSC(C)C 62a_100000210206_100000743108 [0,1,0,0,0,0|1,0,0]=2 3757 B10R0.4 CCCCOCCSC(C)C 62a_100000743108_100000210206 [0,1,0,0,0,0|1,0,0]=2 3758 B10R0.4 CCCCOCCSC(C)C 7a_100000210227_100000730970 [0,1,0,0,0,0|1,0,0]=2 3759 B10R0.4 CCCCOCCSC(C)C 7a_200011212901_100000210211 [0,1,0,0,0,0|1,0,0]=2 3760 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [0,1,0,0,0,0|2,0,1]=4 3761 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [0,1,0,0,0,0|2,0,1]=4 3762 B10R0.4 CCCCOCNCC(C)C 2230a_100000210953_100011995733 [0,1,0,0,0,0|1,0,0]=2 3763 B10R0.4 CCCCOCNCC(C)C 34a_100000210953_100011995733 [0,1,0,0,0,0|1,0,0]=2 3764 B10R0.4 CCCCOCNCC(C)O 2230a_100000210904_100011995733 [0,1,0,0,0,0|1,0,0]=2 3765 B10R0.4 CCCCOCNCC(C)O 34a_100000210904_100011995733 [0,1,0,0,0,0|1,0,0]=2 3766 B10R0.4 CCCCOCNCC(F)F 34a_100000765723_100011995733 [0,1,0,0,0,0|2,0,0]=3 3767 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,1,0,0,0,0|1,0,1]=3 3768 B10R0.4 CCCCOCOCC(C)Br 34a_100012180447_100011995733 [0,1,0,0,0,0|1,0,0]=2 3769 B10R0.4 CCCCOCOCC(C)C 34a_100000210257_100011995733 [0,1,0,0,0,0|1,0,0]=2 3770 B10R0.4 CCCCOCOCC(C)F 34a_100015925927_100011995733 [0,1,0,0,0,0|1,0,0]=2 3771 B10R0.4 CCCCOCOCC(F)F 34a_100000743014_100011995733 [0,1,0,0,0,0|2,0,0]=3 3772 B10R0.4 CCCCOCOC[C@@H](C)Cl 34a_100016084084_100011995733 [0,1,0,0,0,0|1,0,0]=2 3773 B10R0.4 CCCCOCOC[C@@H](C)N 34a_100000737577_100011995733 [0,1,0,0,0,0|1,0,0]=2 3774 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [0,1,0,0,0,0|2,0,1]=4 3775 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [0,1,0,0,0,0|2,0,1]=4 3776 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [0,1,0,0,0,0|2,0,1]=4 3777 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [0,1,0,0,0,0|2,0,1]=4 3778 B10R0.4 CCCCOCSCC(C)C 62a_100000210624_100011995733 [0,1,0,0,0,0|1,0,0]=2 3779 B10R0.4 CCCCOCSCC(C)C 62a_100011995733_100000210760 [0,1,0,0,0,0|1,0,0]=2 3780 B10R0.4 CCCCOCSCC(C)O 62a_100011218427_100011995733 [0,1,0,0,0,0|1,0,0]=2 3781 B10R0.4 CCCCOCSCC(C)O 62a_100011995733_100011218427 [0,1,0,0,0,0|1,0,0]=2 3782 B10R0.4 CCCCOCSCC(F)F 62a_100011934356_100011995733 [0,1,0,0,0,0|2,0,0]=3 3783 B10R0.4 CCCCOCSCC(F)F 62a_100011995733_100011934356 [0,1,0,0,0,0|2,0,0]=3 3784 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100009817552_100011995733 [0,1,0,0,0,0|1,0,0]=2 3785 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100011995733_100009817552 [0,1,0,0,0,0|1,0,0]=2 3786 B10R0.4 CCCCOCSC[N+](=O)[O-] 62a_100011995733_100000761209 [0,1,0,0,0,0|3,0,0]=4 3787 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [0,1,0,0,0,0|0,1,2]=4 3788 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [0,1,0,0,0,0|0,1,2]=4 3789 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,1,0,0,0,0|0,1,1]=3 3790 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,1,0,0,0,0|0,1,1]=3 3791 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,1,0,0,0,0|1,1,1]=4 3792 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,1,0,0,0,0|1,1,1]=4 3793 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [0,1,0,0,0,0|0,1,0]=2 3794 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [0,1,0,0,0,0|0,1,0]=2 3795 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [0,1,0,0,0,0|0,1,0]=2 3796 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [0,1,0,0,0,0|0,1,0]=2 3797 B10R0.4 CCCCSCCCN(C)C 62a_100000210211_100000757444 [0,1,0,0,0,0|1,1,0]=3 3798 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,1,0,0,0,0|1,1,1]=4 3799 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,1,0,0,0,0|1,1,1]=4 3800 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,1,0,0,0,0|1,1,1]=4 3801 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,1,0,0,0,0|1,1,1]=4 3802 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,1,0,0,0,0|1,1,1]=4 3803 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,1,0,0,0,0|1,1,1]=4 3804 B10R0.4 CCCCSCCNC(C)C 2230a_100025743550_100000210206 [0,1,0,0,0,0|1,1,0]=3 3805 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,1,0,0,0,0|1,1,1]=4 3806 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,1,0,0,0,0|1,1,1]=4 3807 B10R0.4 CCCCSCCOC(C)C 34a_200000230436_100000210206 [0,1,0,0,0,0|1,1,0]=3 3808 B10R0.4 CCCCSCCOC(C)C 62a_100000210211_100000211751 [0,1,0,0,0,0|1,1,0]=3 3809 B10R0.4 CCCCSCCOC(C)C 62a_100000211751_100000210210 [0,1,0,0,0,0|1,1,0]=3 3810 B10R0.4 CCCCSCCOC(C)C 7a_200000230436_100000210206 [0,1,0,0,0,0|1,1,0]=3 3811 B10R0.4 CCCCSCCSC(C)C 62a_100000210211_100000730970 [0,1,0,0,0,0|1,1,0]=3 3812 B10R0.4 CCCCSCCSC(C)C 62a_100000730970_100000210210 [0,1,0,0,0,0|1,1,0]=3 3813 B10R0.4 CCCNCCCOC(C)C 2230a_100000737246_100000210303 [0,1,0,0,0,0|3,0,0]=4 3814 B10R0.4 CCCNCCCOC(C)C 34a_100000737246_100000210303 [0,1,0,0,0,0|3,0,0]=4 3815 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,1,0,0,0,0|2,0,1]=4 3816 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [0,1,0,0,0,0|2,0,0]=3 3817 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [0,1,0,0,0,0|2,0,0]=3 3818 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [0,1,0,0,0,0|2,0,0]=3 3819 B10R0.4 CCCOCCCNC(C)C 2230a_100011217757_100000210206 [0,1,0,0,0,0|3,0,0]=4 3820 B10R0.4 CCCOCCCNC(C)C 34a_100000182298_100000210303 [0,1,0,0,0,0|3,0,0]=4 3821 B10R0.4 CCCOCCCNC(C)C 34a_100011217757_100000210206 [0,1,0,0,0,0|3,0,0]=4 3822 B10R0.4 CCCOCCNCC(C)C 2230a_100000210953_100011215938 [0,1,0,0,0,0|3,0,0]=4 3823 B10R0.4 CCCOCCNCC(C)C 2230a_100161115042_100000210760 [0,1,0,0,0,0|3,0,0]=4 3824 B10R0.4 CCCOCCNCC(C)C 270004a_100161115042_100000210432 [0,1,0,0,0,0|3,0,0]=4 3825 B10R0.4 CCCOCCNCC(C)C 34a_100000210953_100011215938 [0,1,0,0,0,0|3,0,0]=4 3826 B10R0.4 CCCOCCNCC(C)C 34a_100015185251_100000210303 [0,1,0,0,0,0|3,0,0]=4 3827 B10R0.4 CCCOCCNCC(C)C 34a_100161115042_100000210624 [0,1,0,0,0,0|3,0,0]=4 3828 B10R0.4 CCCOCCNCC(C)O 2230a_100000210904_100011215938 [0,1,0,0,0,0|3,0,0]=4 3829 B10R0.4 CCCOCCNCC(C)O 2230a_100161115042_100011218427 [0,1,0,0,0,0|3,0,0]=4 3830 B10R0.4 CCCOCCNCC(C)O 34a_100000210904_100011215938 [0,1,0,0,0,0|3,0,0]=4 3831 B10R0.4 CCCOCCNCC(C)O 34a_100161115042_100011218427 [0,1,0,0,0,0|3,0,0]=4 3832 B10R0.4 CCCOCCNC[C@@H](C)O 2230a_100161115042_100009817552 [0,1,0,0,0,0|3,0,0]=4 3833 B10R0.4 CCCOCCNC[C@@H](C)O 34a_100161115042_100009817552 [0,1,0,0,0,0|3,0,0]=4 3834 B10R0.4 CCCOCCOCC(C)Br 34a_100012180447_100011215938 [0,1,0,0,0,0|3,0,0]=4 3835 B10R0.4 CCCOCCOCC(C)C 34a_100000210257_100011215938 [0,1,0,0,0,0|3,0,0]=4 3836 B10R0.4 CCCOCCOCC(C)C 34a_100000703358_100000210303 [0,1,0,0,0,0|3,0,0]=4 3837 B10R0.4 CCCOCCOCC(C)C 34a_100000752267_100000210624 [0,1,0,0,0,0|3,0,0]=4 3838 B10R0.4 CCCOCCOCC(C)C 7a_100000703358_100000210303 [0,1,0,0,0,0|3,0,0]=4 3839 B10R0.4 CCCOCCOCC(C)C 7a_100000752267_100000210760 [0,1,0,0,0,0|3,0,0]=4 3840 B10R0.4 CCCOCCOCC(C)F 34a_100015925927_100011215938 [0,1,0,0,0,0|3,0,0]=4 3841 B10R0.4 CCCOCCOCC(C)O 34a_100000752267_100011218427 [0,1,0,0,0,0|3,0,0]=4 3842 B10R0.4 CCCOCCOCC(C)O 7a_100000752267_100011218427 [0,1,0,0,0,0|3,0,0]=4 3843 B10R0.4 CCCOCCOC[C@@H](C)Cl 34a_100016084084_100011215938 [0,1,0,0,0,0|3,0,0]=4 3844 B10R0.4 CCCOCCOC[C@@H](C)N 34a_100000737577_100011215938 [0,1,0,0,0,0|3,0,0]=4 3845 B10R0.4 CCCOCCOC[C@@H](C)O 34a_100000752267_100009817552 [0,1,0,0,0,0|3,0,0]=4 3846 B10R0.4 CCCOCCOC[C@@H](C)O 7a_100000752267_100009817552 [0,1,0,0,0,0|3,0,0]=4 3847 B10R0.4 CCCOCCSCC(C)C 34a_200000230437_100000210303 [0,1,0,0,0,0|3,0,0]=4 3848 B10R0.4 CCCOCCSCC(C)C 62a_100000210624_100011215938 [0,1,0,0,0,0|3,0,0]=4 3849 B10R0.4 CCCOCCSCC(C)C 62a_100011215938_100000210760 [0,1,0,0,0,0|3,0,0]=4 3850 B10R0.4 CCCOCCSCC(C)C 7a_200000230437_100000210303 [0,1,0,0,0,0|3,0,0]=4 3851 B10R0.4 CCCOCCSCC(C)O 62a_100011215938_100011218427 [0,1,0,0,0,0|3,0,0]=4 3852 B10R0.4 CCCOCCSCC(C)O 62a_100011218427_100011215938 [0,1,0,0,0,0|3,0,0]=4 3853 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100009817552_100011215938 [0,1,0,0,0,0|3,0,0]=4 3854 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100011215938_100009817552 [0,1,0,0,0,0|3,0,0]=4 3855 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,1,0,0,0,0|2,0,1]=4 3856 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,1,0,0,0,0|2,0,1]=4 3857 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [0,1,0,0,0,0|2,0,0]=3 3858 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [0,1,0,0,0,0|2,0,0]=3 3859 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [0,1,0,0,0,0|3,0,0]=4 3860 B10R0.4 CCCSCCNCC(C)C 2230a_100020603323_100000210760 [0,1,0,0,0,0|3,0,0]=4 3861 B10R0.4 CCCSCCNCC(C)C 270004a_100020603323_100000210432 [0,1,0,0,0,0|3,0,0]=4 3862 B10R0.4 CCCSCCNCC(C)O 2230a_100020603323_100011218427 [0,1,0,0,0,0|3,0,0]=4 3863 B10R0.4 CCCSCCNC[C@@H](C)O 2230a_100020603323_100009817552 [0,1,0,0,0,0|3,0,0]=4 3864 B10R0.4 CCCSCCOCC(C)C 34a_200000230433_100000210624 [0,1,0,0,0,0|3,0,0]=4 3865 B10R0.4 CCCSCCOCC(C)C 7a_200000230433_100000210760 [0,1,0,0,0,0|3,0,0]=4 3866 B10R0.4 CCCSCCOCC(C)O 34a_200000230433_100011218427 [0,1,0,0,0,0|3,0,0]=4 3867 B10R0.4 CCCSCCOCC(C)O 7a_200000230433_100011218427 [0,1,0,0,0,0|3,0,0]=4 3868 B10R0.4 CCCSCCOC[C@@H](C)O 34a_200000230433_100009817552 [0,1,0,0,0,0|3,0,0]=4 3869 B10R0.4 CCCSCCOC[C@@H](C)O 7a_200000230433_100009817552 [0,1,0,0,0,0|3,0,0]=4 3870 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [0,1,0,0,0,0|2,0,0]=3 3871 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [0,1,0,0,0,0|2,0,0]=3 3872 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [0,1,0,0,0,0|2,0,0]=3 3873 B10R0.4 CCNCCCOCC(C)C 2230a_100000205972_100000210202 [0,1,0,0,0,0|3,0,0]=4 3874 B10R0.4 CCNCCCOCC(C)C 34a_100000205972_100000210202 [0,1,0,0,0,0|3,0,0]=4 3875 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [0,1,0,0,0,0|2,0,0]=3 3876 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [0,1,0,0,0,0|2,0,0]=3 3877 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [0,1,0,0,0,0|2,0,0]=3 3878 B10R0.4 CCOCCCCNC(C)C 34a_100011521146_100000210202 [0,1,0,0,0,0|3,0,0]=4 3879 B10R0.4 CCOCCCNCC(C)C 2230a_100000210953_100012232248 [0,1,0,0,0,0|3,0,0]=4 3880 B10R0.4 CCOCCCNCC(C)C 2230a_100000210961_100000210760 [0,1,0,0,0,0|3,0,0]=4 3881 B10R0.4 CCOCCCNCC(C)C 270004a_100000210961_100000210432 [0,1,0,0,0,0|3,0,0]=4 3882 B10R0.4 CCOCCCNCC(C)C 34a_100000210953_100012232248 [0,1,0,0,0,0|3,0,0]=4 3883 B10R0.4 CCOCCCNCC(C)C 34a_100000210961_100000210624 [0,1,0,0,0,0|3,0,0]=4 3884 B10R0.4 CCOCCCNCC(C)O 2230a_100000210904_100012232248 [0,1,0,0,0,0|3,0,0]=4 3885 B10R0.4 CCOCCCNCC(C)O 2230a_100000210961_100011218427 [0,1,0,0,0,0|3,0,0]=4 3886 B10R0.4 CCOCCCNCC(C)O 34a_100000210904_100012232248 [0,1,0,0,0,0|3,0,0]=4 3887 B10R0.4 CCOCCCNCC(C)O 34a_100000210961_100011218427 [0,1,0,0,0,0|3,0,0]=4 3888 B10R0.4 CCOCCCNC[C@@H](C)O 2230a_100000210961_100009817552 [0,1,0,0,0,0|3,0,0]=4 3889 B10R0.4 CCOCCCNC[C@@H](C)O 34a_100000210961_100009817552 [0,1,0,0,0,0|3,0,0]=4 3890 B10R0.4 CCOCCCOCC(C)Br 34a_100012180447_100012232248 [0,1,0,0,0,0|3,0,0]=4 3891 B10R0.4 CCOCCCOCC(C)C 34a_100000210257_100012232248 [0,1,0,0,0,0|3,0,0]=4 3892 B10R0.4 CCOCCCOCC(C)C 34a_100000757476_100000210624 [0,1,0,0,0,0|3,0,0]=4 3893 B10R0.4 CCOCCCOCC(C)C 7a_100000757476_100000210760 [0,1,0,0,0,0|3,0,0]=4 3894 B10R0.4 CCOCCCOCC(C)F 34a_100015925927_100012232248 [0,1,0,0,0,0|3,0,0]=4 3895 B10R0.4 CCOCCCOCC(C)O 34a_100000757476_100011218427 [0,1,0,0,0,0|3,0,0]=4 3896 B10R0.4 CCOCCCOCC(C)O 7a_100000757476_100011218427 [0,1,0,0,0,0|3,0,0]=4 3897 B10R0.4 CCOCCCOC[C@@H](C)Cl 34a_100016084084_100012232248 [0,1,0,0,0,0|3,0,0]=4 3898 B10R0.4 CCOCCCOC[C@@H](C)N 34a_100000737577_100012232248 [0,1,0,0,0,0|3,0,0]=4 3899 B10R0.4 CCOCCCOC[C@@H](C)O 34a_100000757476_100009817552 [0,1,0,0,0,0|3,0,0]=4 3900 B10R0.4 CCOCCCOC[C@@H](C)O 7a_100000757476_100009817552 [0,1,0,0,0,0|3,0,0]=4 3901 B10R0.4 CCOCCCSCC(C)C 62a_100000210624_100012232248 [0,1,0,0,0,0|3,0,0]=4 3902 B10R0.4 CCOCCCSCC(C)C 62a_100012232248_100000210760 [0,1,0,0,0,0|3,0,0]=4 3903 B10R0.4 CCOCCCSCC(C)O 62a_100011218427_100012232248 [0,1,0,0,0,0|3,0,0]=4 3904 B10R0.4 CCOCCCSCC(C)O 62a_100012232248_100011218427 [0,1,0,0,0,0|3,0,0]=4 3905 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100009817552_100012232248 [0,1,0,0,0,0|3,0,0]=4 3906 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100012232248_100009817552 [0,1,0,0,0,0|3,0,0]=4 3907 B10R0.4 CCOCCNCCC(C)C 2230a_102516460346_100000210312 [0,1,0,0,0,0|2,0,0]=3 3908 B10R0.4 CCOCCNCCC(C)C 269862a_100011200944_100000185833 [0,1,0,0,0,0|2,0,0]=3 3909 B10R0.4 CCOCCNCCC(C)C 34a_102516460346_100000210312 [0,1,0,0,0,0|2,0,0]=3 3910 B10R0.4 CCOCCNCCC(C)O 2230a_102516460346_100012276601 [0,1,0,0,0,0|2,0,0]=3 3911 B10R0.4 CCOCCNCCC(C)O 2230a_200000755665_100011215890 [0,1,0,0,0,0|2,0,0]=3 3912 B10R0.4 CCOCCNCCC(C)O 34a_102516460346_100012276601 [0,1,0,0,0,0|2,0,0]=3 3913 B10R0.4 CCOCCNCOC(C)C 2230a_102516460346_100000709892 [0,1,0,0,0,0|3,0,0]=4 3914 B10R0.4 CCOCCNCOC(C)C 34a_102516460346_100000709892 [0,1,0,0,0,0|3,0,0]=4 3915 B10R0.4 CCOCCOCC=C(C)C 34a_100000210136_100000761012 [0,1,0,0,0,0|1,0,2]=4 3916 B10R0.4 CCOCCOCC=C(C)C 34a_100000753907_100000210147 [0,1,0,0,0,0|1,0,2]=4 3917 B10R0.4 CCOCCOCC=C(C)C 7a_100000210136_100000761012 [0,1,0,0,0,0|1,0,2]=4 3918 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,1,0,0,0,0|1,0,1]=3 3919 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,1,0,0,0,0|1,0,1]=3 3920 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,1,0,0,0,0|1,0,1]=3 3921 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,1,0,0,0,0|1,0,1]=3 3922 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [0,1,0,0,0,0|2,0,1]=4 3923 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [0,1,0,0,0,0|2,0,1]=4 3924 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [0,1,0,0,0,0|2,0,1]=4 3925 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [0,1,0,0,0,0|2,0,1]=4 3926 B10R0.4 CCOCCOCCC(C)Br 34a_100009893172_100000210147 [0,1,0,0,0,0|1,0,0]=2 3927 B10R0.4 CCOCCOCCC(C)C 34a_100000210136_100000210312 [0,1,0,0,0,0|1,0,0]=2 3928 B10R0.4 CCOCCOCCC(C)C 34a_100000210254_100000210147 [0,1,0,0,0,0|1,0,0]=2 3929 B10R0.4 CCOCCOCCC(C)C 7a_100000210136_100000210626 [0,1,0,0,0,0|1,0,0]=2 3930 B10R0.4 CCOCCOCCC(C)C 7a_100000210254_100011215890 [0,1,0,0,0,0|1,0,0]=2 3931 B10R0.4 CCOCCOCCC(C)O 34a_100000210136_100012276601 [0,1,0,0,0,0|1,0,0]=2 3932 B10R0.4 CCOCCOCCC(C)O 7a_100000210136_100012276601 [0,1,0,0,0,0|1,0,0]=2 3933 B10R0.4 CCOCCOCCC(F)F 34a_100103093639_100000210147 [0,1,0,0,0,0|2,0,0]=3 3934 B10R0.4 CCOCCOCCN(C)C 2230a_100102631434_100011211534 [0,1,0,0,0,0|2,0,0]=3 3935 B10R0.4 CCOCCOCCN(C)C 269982a_100102631434_100011211534 [0,1,0,0,0,0|2,0,0]=3 3936 B10R0.4 CCOCCOCCN(C)C 7a_100000210136_100000755713 [0,1,0,0,0,0|2,0,0]=3 3937 B10R0.4 CCOCCOCC[C@@H](C)N 34a_100000706166_100000210147 [0,1,0,0,0,0|1,0,0]=2 3938 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [0,1,0,0,0,0|2,0,1]=4 3939 B10R0.4 CCOCCOCOC(C)C 34a_100000210136_100000709892 [0,1,0,0,0,0|2,0,0]=3 3940 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,1,0,0,0,0|1,1,1]=4 3941 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,1,0,0,0,0|1,1,1]=4 3942 B10R0.4 CCOCCSCCC(C)C 62a_100000210147_100000210312 [0,1,0,0,0,0|1,1,0]=3 3943 B10R0.4 CCOCCSCCC(C)C 62a_100000210312_100011215890 [0,1,0,0,0,0|1,1,0]=3 3944 B10R0.4 CCOCCSCCC(C)O 62a_100000210147_100012276601 [0,1,0,0,0,0|1,1,0]=3 3945 B10R0.4 CCOCCSCCC(C)O 62a_100012276601_100011215890 [0,1,0,0,0,0|1,1,0]=3 3946 B10R0.4 CCOCCSCCN(C)C 62a_100000210147_100000755713 [0,1,0,0,0,0|2,1,0]=4 3947 B10R0.4 CCOCCSCOC(C)C 62a_100000210147_100000709892 [0,1,0,0,0,0|2,1,0]=4 3948 B10R0.4 CCOCCSCOC(C)C 62a_100000709892_100011215890 [0,1,0,0,0,0|2,1,0]=4 3949 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [0,1,0,0,0,0|2,0,1]=4 3950 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,1,0,0,0,0|1,1,1]=4 3951 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,1,0,0,0,0|1,1,1]=4 3952 B10R0.4 CCOCSCCCC(C)C 62a_100000739092_100011214892 [0,1,0,0,0,0|1,1,0]=3 3953 B10R0.4 CCOCSCCCC(C)C 62a_100011214892_100000739092 [0,1,0,0,0,0|1,1,0]=3 3954 B10R0.4 CCOCSCCCC(C)O 62a_100000739092_200000718107 [0,1,0,0,0,0|1,1,0]=3 3955 B10R0.4 CCOCSCCCC(C)O 62a_200000718107_100000739092 [0,1,0,0,0,0|1,1,0]=3 3956 B10R0.4 CCOCSCCCN(C)C 62a_100000739092_100000757444 [0,1,0,0,0,0|2,1,0]=4 3957 B10R0.4 CCOCSCCOC(C)C 62a_100000211751_100000739092 [0,1,0,0,0,0|2,1,0]=4 3958 B10R0.4 CCOCSCCOC(C)C 62a_100000739092_100000211751 [0,1,0,0,0,0|2,1,0]=4 3959 B10R0.4 CCOCSCCSC(C)C 62a_100000730970_100000739092 [0,1,0,0,0,0|2,1,0]=4 3960 B10R0.4 CCOCSCCSC(C)C 62a_100000739092_100000730970 [0,1,0,0,0,0|2,1,0]=4 3961 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [0,1,0,0,0,0|2,0,0]=3 3962 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [0,1,0,0,0,0|2,0,0]=3 3963 B10R0.4 CCSCCCOCC(C)C 34a_100011216438_100000210624 [0,1,0,0,0,0|3,0,0]=4 3964 B10R0.4 CCSCCCOCC(C)C 7a_100011216438_100000210760 [0,1,0,0,0,0|3,0,0]=4 3965 B10R0.4 CCSCCCOCC(C)O 34a_100011216438_100011218427 [0,1,0,0,0,0|3,0,0]=4 3966 B10R0.4 CCSCCCOCC(C)O 7a_100011216438_100011218427 [0,1,0,0,0,0|3,0,0]=4 3967 B10R0.4 CCSCCCOC[C@@H](C)O 34a_100011216438_100009817552 [0,1,0,0,0,0|3,0,0]=4 3968 B10R0.4 CCSCCCOC[C@@H](C)O 7a_100011216438_100009817552 [0,1,0,0,0,0|3,0,0]=4 3969 B10R0.4 CCSCCNCCC(C)C 2230a_100000106463_100000210312 [0,1,0,0,0,0|2,0,0]=3 3970 B10R0.4 CCSCCNCCC(C)C 269862a_100000106463_100000185833 [0,1,0,0,0,0|2,0,0]=3 3971 B10R0.4 CCSCCNCCC(C)O 2230a_100000106463_100012276601 [0,1,0,0,0,0|2,0,0]=3 3972 B10R0.4 CCSCCNCCC(C)O 2230a_200000755665_100000757381 [0,1,0,0,0,0|2,0,0]=3 3973 B10R0.4 CCSCCNCOC(C)C 2230a_100000106463_100000709892 [0,1,0,0,0,0|3,0,0]=4 3974 B10R0.4 CCSCCOCC=C(C)C 34a_100000212035_100000761012 [0,1,0,0,0,0|1,0,2]=4 3975 B10R0.4 CCSCCOCC=C(C)C 34a_100000753907_100000757381 [0,1,0,0,0,0|1,0,2]=4 3976 B10R0.4 CCSCCOCC=C(C)C 7a_100000212035_100000761012 [0,1,0,0,0,0|1,0,2]=4 3977 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,1,0,0,0,0|1,0,1]=3 3978 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,1,0,0,0,0|1,0,1]=3 3979 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,1,0,0,0,0|1,0,1]=3 3980 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [0,1,0,0,0,0|2,0,1]=4 3981 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [0,1,0,0,0,0|2,0,1]=4 3982 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [0,1,0,0,0,0|2,0,1]=4 3983 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [0,1,0,0,0,0|2,0,1]=4 3984 B10R0.4 CCSCCOCCC(C)Br 34a_100009893172_100000757381 [0,1,0,0,0,0|1,0,0]=2 3985 B10R0.4 CCSCCOCCC(C)C 34a_100000210254_100000757381 [0,1,0,0,0,0|1,0,0]=2 3986 B10R0.4 CCSCCOCCC(C)C 34a_100000212035_100000210312 [0,1,0,0,0,0|1,0,0]=2 3987 B10R0.4 CCSCCOCCC(C)C 7a_100000210254_100000757381 [0,1,0,0,0,0|1,0,0]=2 3988 B10R0.4 CCSCCOCCC(C)C 7a_100000212035_100000210626 [0,1,0,0,0,0|1,0,0]=2 3989 B10R0.4 CCSCCOCCC(C)O 34a_100000212035_100012276601 [0,1,0,0,0,0|1,0,0]=2 3990 B10R0.4 CCSCCOCCC(C)O 7a_100000212035_100012276601 [0,1,0,0,0,0|1,0,0]=2 3991 B10R0.4 CCSCCOCCC(F)F 34a_100103093639_100000757381 [0,1,0,0,0,0|2,0,0]=3 3992 B10R0.4 CCSCCOCCN(C)C 7a_100000212035_100000755713 [0,1,0,0,0,0|2,0,0]=3 3993 B10R0.4 CCSCCOCC[C@@H](C)N 34a_100000706166_100000757381 [0,1,0,0,0,0|1,0,0]=2 3994 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [0,1,0,0,0,0|2,0,1]=4 3995 B10R0.4 CCSCCOCOC(C)C 34a_100000212035_100000709892 [0,1,0,0,0,0|2,0,0]=3 3996 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,1,0,0,0,0|1,1,1]=4 3997 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,1,0,0,0,0|1,1,1]=4 3998 B10R0.4 CCSCCSCCC(C)C 62a_100000210312_100000757381 [0,1,0,0,0,0|1,1,0]=3 3999 B10R0.4 CCSCCSCCC(C)C 62a_100000757381_100000210312 [0,1,0,0,0,0|1,1,0]=3 4000 B10R0.4 CCSCCSCCC(C)O 62a_100000757381_100012276601 [0,1,0,0,0,0|1,1,0]=3 4001 B10R0.4 CCSCCSCCC(C)O 62a_100012276601_100000757381 [0,1,0,0,0,0|1,1,0]=3 4002 B10R0.4 CCSCCSCCN(C)C 62a_100000757381_100000755713 [0,1,0,0,0,0|2,1,0]=4 4003 B10R0.4 CCSCCSCOC(C)C 62a_100000709892_100000757381 [0,1,0,0,0,0|2,1,0]=4 4004 B10R0.4 CCSCCSCOC(C)C 62a_100000757381_100000709892 [0,1,0,0,0,0|2,1,0]=4 4005 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [0,1,0,0,0,0|2,0,1]=4 4006 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [0,1,0,0,0,0|2,0,1]=4 4007 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [0,1,0,0,0,0|3,0,0]=4 4008 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [0,1,0,0,0,0|3,0,0]=4 4009 B10R0.4 CN(C)CCCSCCCF 62a_100011934791_100000757444 [0,1,0,0,0,0|2,1,0]=4 4010 B10R0.4 CN(C)CCCSCCCO 62a_100011215043_100000757444 [0,1,0,0,0,0|2,1,0]=4 4011 B10R0.4 CN(C)CCOCCCCCl 7a_100000210776_100000755713 [0,1,0,0,0,0|2,0,0]=3 4012 B10R0.4 CN(C)CCOCCCCF 7a_100011995726_100000755713 [0,1,0,0,0,0|2,0,0]=3 4013 B10R0.4 CN(C)CCSCCCCF 62a_100000729493_100000755713 [0,1,0,0,0,0|2,1,0]=4 4014 B10R0.4 CN(C)CCSCCCCO 62a_100000210776_100000755713 [0,1,0,0,0,0|2,1,0]=4 4015 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [0,1,0,0,0,0|2,0,0]=3 4016 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [0,1,0,0,0,0|2,0,0]=3 4017 B10R0.4 CNCCCCCOC(C)C 34a_100000722520_100000210206 [0,1,0,0,0,0|3,0,0]=4 4018 B10R0.4 CNCCCOCC=C(C)C 34a_100000213112_100000761012 [0,1,0,0,0,0|1,0,2]=4 4019 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [0,1,0,0,0,0|2,0,1]=4 4020 B10R0.4 CNCCCOCCC(C)C 34a_100000213112_100000210312 [0,1,0,0,0,0|1,0,0]=2 4021 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [0,1,0,0,0,0|1,0,0]=2 4022 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [0,1,0,0,0,0|2,0,1]=4 4023 B10R0.4 CNCCCOCOC(C)C 34a_100000213112_100000709892 [0,1,0,0,0,0|2,0,0]=3 4024 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,1,0,0,0,0|2,0,1]=4 4025 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,1,0,0,0,0|2,0,1]=4 4026 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,1,0,0,0,0|2,0,1]=4 4027 B10R0.4 CNCCOCCOC(C)C 34a_100000228057_100000210206 [0,1,0,0,0,0|2,0,0]=3 4028 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,1,0,0,0,0|2,0,1]=4 4029 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [0,1,0,0,0,0|3,0,0]=4 4030 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [0,1,0,0,0,0|3,0,0]=4 4031 B10R0.4 COCCCCCNC(C)C 2230a_100000747528_100000210206 [0,1,0,0,0,0|3,0,0]=4 4032 B10R0.4 COCCCCCNC(C)C 34a_100000747528_100000210206 [0,1,0,0,0,0|3,0,0]=4 4033 B10R0.4 COCCCCCNC(C)C 34a_100011629493_200000210301 [0,1,0,0,0,0|3,0,0]=4 4034 B10R0.4 COCCCCNCC(C)C 2230a_100000210953_100000730899 [0,1,0,0,0,0|3,0,0]=4 4035 B10R0.4 COCCCCNCC(C)C 34a_100000210953_100000755781 [0,1,0,0,0,0|3,0,0]=4 4036 B10R0.4 COCCCCNCC(C)O 2230a_100000210904_100000730899 [0,1,0,0,0,0|3,0,0]=4 4037 B10R0.4 COCCCCNCC(C)O 34a_100000210904_100000755781 [0,1,0,0,0,0|3,0,0]=4 4038 B10R0.4 COCCCCOCC(C)Br 34a_100012180447_100000755781 [0,1,0,0,0,0|3,0,0]=4 4039 B10R0.4 COCCCCOCC(C)C 34a_100000210257_100000755781 [0,1,0,0,0,0|3,0,0]=4 4040 B10R0.4 COCCCCOCC(C)C 34a_100000740925_100000210624 [0,1,0,0,0,0|3,0,0]=4 4041 B10R0.4 COCCCCOCC(C)F 34a_100015925927_100000755781 [0,1,0,0,0,0|3,0,0]=4 4042 B10R0.4 COCCCCOCC(C)O 34a_100000740925_100011218427 [0,1,0,0,0,0|3,0,0]=4 4043 B10R0.4 COCCCCOC[C@@H](C)Cl 34a_100016084084_100000755781 [0,1,0,0,0,0|3,0,0]=4 4044 B10R0.4 COCCCCOC[C@@H](C)N 34a_100000737577_100000755781 [0,1,0,0,0,0|3,0,0]=4 4045 B10R0.4 COCCCCOC[C@@H](C)O 34a_100000740925_100009817552 [0,1,0,0,0,0|3,0,0]=4 4046 B10R0.4 COCCCCSCC(C)C 62a_100000210624_100000730899 [0,1,0,0,0,0|3,0,0]=4 4047 B10R0.4 COCCCCSCC(C)C 62a_100000730899_100000210760 [0,1,0,0,0,0|3,0,0]=4 4048 B10R0.4 COCCCCSCC(C)O 62a_100000730899_100011218427 [0,1,0,0,0,0|3,0,0]=4 4049 B10R0.4 COCCCCSCC(C)O 62a_100011218427_100000730899 [0,1,0,0,0,0|3,0,0]=4 4050 B10R0.4 COCCCCSC[C@@H](C)O 62a_100000730899_100009817552 [0,1,0,0,0,0|3,0,0]=4 4051 B10R0.4 COCCCCSC[C@@H](C)O 62a_100009817552_100000730899 [0,1,0,0,0,0|3,0,0]=4 4052 B10R0.4 COCCCNCCC(C)C 269862a_100150723488_100000185833 [0,1,0,0,0,0|2,0,0]=3 4053 B10R0.4 COCCCNCCC(C)C 34a_100150723488_100000210312 [0,1,0,0,0,0|2,0,0]=3 4054 B10R0.4 COCCCNCCC(C)O 2230a_200000755665_100000740836 [0,1,0,0,0,0|2,0,0]=3 4055 B10R0.4 COCCCNCCC(C)O 34a_100150723488_100012276601 [0,1,0,0,0,0|2,0,0]=3 4056 B10R0.4 COCCCNCOC(C)C 34a_100150723488_100000709892 [0,1,0,0,0,0|3,0,0]=4 4057 B10R0.4 COCCCOCC=C(C)C 34a_100000740835_100000761012 [0,1,0,0,0,0|1,0,2]=4 4058 B10R0.4 COCCCOCC=C(C)C 34a_100000753907_100000740836 [0,1,0,0,0,0|1,0,2]=4 4059 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,1,0,0,0,0|1,0,1]=3 4060 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,1,0,0,0,0|1,0,1]=3 4061 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [0,1,0,0,0,0|2,0,1]=4 4062 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [0,1,0,0,0,0|2,0,1]=4 4063 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [0,1,0,0,0,0|2,0,1]=4 4064 B10R0.4 COCCCOCCC(C)Br 34a_100009893172_100000740836 [0,1,0,0,0,0|1,0,0]=2 4065 B10R0.4 COCCCOCCC(C)C 34a_100000210254_100000740836 [0,1,0,0,0,0|1,0,0]=2 4066 B10R0.4 COCCCOCCC(C)C 34a_100000740835_100000210312 [0,1,0,0,0,0|1,0,0]=2 4067 B10R0.4 COCCCOCCC(C)C 7a_100000210254_100000740836 [0,1,0,0,0,0|1,0,0]=2 4068 B10R0.4 COCCCOCCC(C)O 34a_100000740835_100012276601 [0,1,0,0,0,0|1,0,0]=2 4069 B10R0.4 COCCCOCCC(F)F 34a_100103093639_100000740836 [0,1,0,0,0,0|2,0,0]=3 4070 B10R0.4 COCCCOCC[C@@H](C)N 34a_100000706166_100000740836 [0,1,0,0,0,0|1,0,0]=2 4071 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [0,1,0,0,0,0|2,0,1]=4 4072 B10R0.4 COCCCOCOC(C)C 34a_100000740835_100000709892 [0,1,0,0,0,0|2,0,0]=3 4073 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,1,0,0,0,0|1,1,1]=4 4074 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,1,0,0,0,0|1,1,1]=4 4075 B10R0.4 COCCCSCCC(C)C 62a_100000210312_100000709357 [0,1,0,0,0,0|1,1,0]=3 4076 B10R0.4 COCCCSCCC(C)C 62a_100000709357_100000210312 [0,1,0,0,0,0|1,1,0]=3 4077 B10R0.4 COCCCSCCC(C)O 62a_100000709357_100012276601 [0,1,0,0,0,0|1,1,0]=3 4078 B10R0.4 COCCCSCCC(C)O 62a_100012276601_100000709357 [0,1,0,0,0,0|1,1,0]=3 4079 B10R0.4 COCCCSCCN(C)C 62a_100000709357_100000755713 [0,1,0,0,0,0|2,1,0]=4 4080 B10R0.4 COCCCSCOC(C)C 62a_100000709357_100000709892 [0,1,0,0,0,0|2,1,0]=4 4081 B10R0.4 COCCCSCOC(C)C 62a_100000709892_100000709357 [0,1,0,0,0,0|2,1,0]=4 4082 B10R0.4 COCCNCCCC(C)C 2230a_100000209980_100011214892 [0,1,0,0,0,0|2,0,0]=3 4083 B10R0.4 COCCNCCCC(C)C 2230a_200000737386_100011201679 [0,1,0,0,0,0|2,0,0]=3 4084 B10R0.4 COCCNCCCC(C)C 34a_200000737386_100011201679 [0,1,0,0,0,0|2,0,0]=3 4085 B10R0.4 COCCNCCCC(C)O 2230a_100000209980_200000718107 [0,1,0,0,0,0|2,0,0]=3 4086 B10R0.4 COCCNCCCS(=O)C 2230a_200000753449_100011201679 [0,1,0,0,0,0|3,0,0]=4 4087 B10R0.4 COCCNCCOC(C)C 2230a_100000209980_100000211751 [0,1,0,0,0,0|3,0,0]=4 4088 B10R0.4 COCCNCCOC(C)C 2230a_100000701111_100011201679 [0,1,0,0,0,0|3,0,0]=4 4089 B10R0.4 COCCNCCOC(C)C 34a_100000701111_100011201679 [0,1,0,0,0,0|3,0,0]=4 4090 B10R0.4 COCCNCCSC(C)C 2230a_100000209980_100000730970 [0,1,0,0,0,0|3,0,0]=4 4091 B10R0.4 COCCNCCSC(C)C 2230a_100000731138_100011201679 [0,1,0,0,0,0|3,0,0]=4 4092 B10R0.4 COCCNCCSC(C)C 34a_100000731138_100011201679 [0,1,0,0,0,0|3,0,0]=4 4093 B10R0.4 COCCOCCC=C(C)C 34a_100000210237_100011217483 [0,1,0,0,0,0|1,0,2]=4 4094 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,1,0,0,0,0|1,0,1]=3 4095 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,1,0,0,0,0|1,0,1]=3 4096 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,1,0,0,0,0|1,0,1]=3 4097 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,1,0,0,0,0|1,0,1]=3 4098 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [0,1,0,0,0,0|2,0,1]=4 4099 B10R0.4 COCCOCCCC(C)C 34a_100000210237_100011214892 [0,1,0,0,0,0|1,0,0]=2 4100 B10R0.4 COCCOCCCC(C)C 34a_100000210774_100011201679 [0,1,0,0,0,0|1,0,0]=2 4101 B10R0.4 COCCOCCCC(C)C 7a_100000210774_100000233755 [0,1,0,0,0,0|1,0,0]=2 4102 B10R0.4 COCCOCCCC(C)O 34a_100000210237_200000718107 [0,1,0,0,0,0|1,0,0]=2 4103 B10R0.4 COCCOCCCN(C)C 2230a_100102631434_100011216529 [0,1,0,0,0,0|2,0,0]=3 4104 B10R0.4 COCCOCCCN(C)C 269982a_100102631434_100011216529 [0,1,0,0,0,0|2,0,0]=3 4105 B10R0.4 COCCOCCC[N+](=O)[O-] 34a_200000037920_100011201679 [0,1,0,0,0,0|3,0,0]=4 4106 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [0,1,0,0,0,0|2,0,1]=4 4107 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [0,1,0,0,0,0|2,0,1]=4 4108 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [0,1,0,0,0,0|2,0,1]=4 4109 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [0,1,0,0,0,0|2,0,1]=4 4110 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [0,1,0,0,0,0|2,0,1]=4 4111 B10R0.4 COCCOCCNC(C)C 2230a_100000745349_100000210206 [0,1,0,0,0,0|2,0,0]=3 4112 B10R0.4 COCCOCCNC(C)C 2230a_100138425928_100000695917 [0,1,0,0,0,0|2,0,0]=3 4113 B10R0.4 COCCOCCNC(C)C 34a_100000224655_100011201679 [0,1,0,0,0,0|2,0,0]=3 4114 B10R0.4 COCCOCCNC(C)C 34a_100000745349_100000210206 [0,1,0,0,0,0|2,0,0]=3 4115 B10R0.4 COCCOCCNC(C)C 34a_100138425928_100000695917 [0,1,0,0,0,0|2,0,0]=3 4116 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [0,1,0,0,0,0|2,0,1]=4 4117 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [0,1,0,0,0,0|2,0,1]=4 4118 B10R0.4 COCCOCCOC(C)C 34a_100000210237_100000211751 [0,1,0,0,0,0|2,0,0]=3 4119 B10R0.4 COCCOCCOC(C)C 34a_100000211219_100011201679 [0,1,0,0,0,0|2,0,0]=3 4120 B10R0.4 COCCOCCOC(C)C 34a_100000212225_100000695917 [0,1,0,0,0,0|2,0,0]=3 4121 B10R0.4 COCCOCCOC(C)C 34a_100011215163_100000210206 [0,1,0,0,0,0|2,0,0]=3 4122 B10R0.4 COCCOCCOC(C)C 7a_100000211219_100000233755 [0,1,0,0,0,0|2,0,0]=3 4123 B10R0.4 COCCOCCOC(C)C 7a_100011215163_100000210206 [0,1,0,0,0,0|2,0,0]=3 4124 B10R0.4 COCCOCCSC(C)C 34a_100000210237_100000730970 [0,1,0,0,0,0|2,0,0]=3 4125 B10R0.4 COCCOCCSC(C)C 34a_200011212901_100011201679 [0,1,0,0,0,0|2,0,0]=3 4126 B10R0.4 COCCOCCSC(C)C 62a_100000210206_100000695917 [0,1,0,0,0,0|2,0,0]=3 4127 B10R0.4 COCCOCCSC(C)C 62a_100000695917_100000210206 [0,1,0,0,0,0|2,0,0]=3 4128 B10R0.4 COCCOCCSC(C)C 7a_200011212901_100000233755 [0,1,0,0,0,0|2,0,0]=3 4129 B10R0.4 COCCOCNCC(C)C 2230a_100000210953_100000231047 [0,1,0,0,0,0|2,0,0]=3 4130 B10R0.4 COCCOCNCC(C)O 2230a_100000210904_100000231047 [0,1,0,0,0,0|2,0,0]=3 4131 B10R0.4 COCCOCSCC(C)C 62a_100000210624_100000231047 [0,1,0,0,0,0|2,0,0]=3 4132 B10R0.4 COCCOCSCC(C)C 62a_100000231047_100000210760 [0,1,0,0,0,0|2,0,0]=3 4133 B10R0.4 COCCOCSCC(C)O 62a_100000231047_100011218427 [0,1,0,0,0,0|2,0,0]=3 4134 B10R0.4 COCCOCSCC(C)O 62a_100011218427_100000231047 [0,1,0,0,0,0|2,0,0]=3 4135 B10R0.4 COCCOCSCC(F)F 62a_100000231047_100011934356 [0,1,0,0,0,0|3,0,0]=4 4136 B10R0.4 COCCOCSCC(F)F 62a_100011934356_100000231047 [0,1,0,0,0,0|3,0,0]=4 4137 B10R0.4 COCCOCSC[C@@H](C)O 62a_100000231047_100009817552 [0,1,0,0,0,0|2,0,0]=3 4138 B10R0.4 COCCOCSC[C@@H](C)O 62a_100009817552_100000231047 [0,1,0,0,0,0|2,0,0]=3 4139 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,1,0,0,0,0|1,1,1]=4 4140 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,1,0,0,0,0|1,1,1]=4 4141 B10R0.4 COCCSCCCC(C)C 62a_100000233755_100011214892 [0,1,0,0,0,0|1,1,0]=3 4142 B10R0.4 COCCSCCCC(C)C 62a_100011214892_100000233755 [0,1,0,0,0,0|1,1,0]=3 4143 B10R0.4 COCCSCCCC(C)O 62a_100000233755_200000718107 [0,1,0,0,0,0|1,1,0]=3 4144 B10R0.4 COCCSCCCC(C)O 62a_200000718107_100000233755 [0,1,0,0,0,0|1,1,0]=3 4145 B10R0.4 COCCSCCCN(C)C 62a_100000233755_100000757444 [0,1,0,0,0,0|2,1,0]=4 4146 B10R0.4 COCCSCCOC(C)C 62a_100000211751_100000233755 [0,1,0,0,0,0|2,1,0]=4 4147 B10R0.4 COCCSCCOC(C)C 62a_100000233755_100000211751 [0,1,0,0,0,0|2,1,0]=4 4148 B10R0.4 COCCSCCSC(C)C 62a_100000233755_100000730970 [0,1,0,0,0,0|2,1,0]=4 4149 B10R0.4 COCCSCCSC(C)C 62a_100000730970_100000233755 [0,1,0,0,0,0|2,1,0]=4 4150 B10R0.4 COCSCCCCC(C)C 62a_100000766300_100011216152 [0,1,0,0,0,0|3,0,0]=4 4151 B10R0.4 COCSCCCCC(C)C 62a_100011216152_100000766300 [0,1,0,0,0,0|3,0,0]=4 4152 B10R0.4 CS(=O)CCCNCCCF 2230a_200000753449_100011934791 [0,1,0,0,0,0|3,0,0]=4 4153 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [0,1,0,0,0,0|3,0,0]=4 4154 B10R0.4 CSCCCCOCC(C)C 34a_100011217163_100000210624 [0,1,0,0,0,0|3,0,0]=4 4155 B10R0.4 CSCCCCOCC(C)C 7a_100011217163_100000210760 [0,1,0,0,0,0|3,0,0]=4 4156 B10R0.4 CSCCCCOCC(C)O 34a_100011217163_100011218427 [0,1,0,0,0,0|3,0,0]=4 4157 B10R0.4 CSCCCCOCC(C)O 7a_100011217163_100011218427 [0,1,0,0,0,0|3,0,0]=4 4158 B10R0.4 CSCCCCOC[C@@H](C)O 34a_100011217163_100009817552 [0,1,0,0,0,0|3,0,0]=4 4159 B10R0.4 CSCCCCOC[C@@H](C)O 7a_100011217163_100009817552 [0,1,0,0,0,0|3,0,0]=4 4160 B10R0.4 CSCCCNCCC(C)C 2230a_100000749238_100000210312 [0,1,0,0,0,0|2,0,0]=3 4161 B10R0.4 CSCCCNCCC(C)C 269862a_100000749238_100000185833 [0,1,0,0,0,0|2,0,0]=3 4162 B10R0.4 CSCCCNCCC(C)O 2230a_100000749238_100012276601 [0,1,0,0,0,0|2,0,0]=3 4163 B10R0.4 CSCCCNCOC(C)C 2230a_100000749238_100000709892 [0,1,0,0,0,0|3,0,0]=4 4164 B10R0.4 CSCCCOCC=C(C)C 34a_100000690336_100000761012 [0,1,0,0,0,0|1,0,2]=4 4165 B10R0.4 CSCCCOCC=C(C)C 7a_100000690336_100000761012 [0,1,0,0,0,0|1,0,2]=4 4166 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,1,0,0,0,0|1,0,1]=3 4167 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [0,1,0,0,0,0|2,0,1]=4 4168 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [0,1,0,0,0,0|2,0,1]=4 4169 B10R0.4 CSCCCOCCC(C)C 34a_100000690336_100000210312 [0,1,0,0,0,0|1,0,0]=2 4170 B10R0.4 CSCCCOCCC(C)C 7a_100000690336_100000210626 [0,1,0,0,0,0|1,0,0]=2 4171 B10R0.4 CSCCCOCCC(C)O 34a_100000690336_100012276601 [0,1,0,0,0,0|1,0,0]=2 4172 B10R0.4 CSCCCOCCC(C)O 7a_100000690336_100012276601 [0,1,0,0,0,0|1,0,0]=2 4173 B10R0.4 CSCCCOCCN(C)C 7a_100000690336_100000755713 [0,1,0,0,0,0|2,0,0]=3 4174 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [0,1,0,0,0,0|2,0,1]=4 4175 B10R0.4 CSCCCOCOC(C)C 34a_100000690336_100000709892 [0,1,0,0,0,0|2,0,0]=3 4176 B10R0.4 CSCCNCCCC(C)C 2230a_100020590264_100011214892 [0,1,0,0,0,0|2,0,0]=3 4177 B10R0.4 CSCCNCCCC(C)C 2230a_200000737386_100000751147 [0,1,0,0,0,0|2,0,0]=3 4178 B10R0.4 CSCCNCCCC(C)C 34a_200000737386_100000212216 [0,1,0,0,0,0|2,0,0]=3 4179 B10R0.4 CSCCNCCCC(C)O 2230a_100020590264_200000718107 [0,1,0,0,0,0|2,0,0]=3 4180 B10R0.4 CSCCNCCCS(=O)C 2230a_200000753449_100000751147 [0,1,0,0,0,0|3,0,0]=4 4181 B10R0.4 CSCCNCCOC(C)C 2230a_100000701111_100000751147 [0,1,0,0,0,0|3,0,0]=4 4182 B10R0.4 CSCCNCCOC(C)C 2230a_100020590264_100000211751 [0,1,0,0,0,0|3,0,0]=4 4183 B10R0.4 CSCCNCCOC(C)C 34a_100000701111_100000212216 [0,1,0,0,0,0|3,0,0]=4 4184 B10R0.4 CSCCNCCSC(C)C 2230a_100000731138_100000751147 [0,1,0,0,0,0|3,0,0]=4 4185 B10R0.4 CSCCNCCSC(C)C 2230a_100020590264_100000730970 [0,1,0,0,0,0|3,0,0]=4 4186 B10R0.4 CSCCNCCSC(C)C 34a_100000731138_100000212216 [0,1,0,0,0,0|3,0,0]=4 4187 B10R0.4 CSCCOCCC=C(C)C 34a_100000230434_100011217483 [0,1,0,0,0,0|1,0,2]=4 4188 B10R0.4 CSCCOCCC=C(C)C 7a_100000230434_100011217483 [0,1,0,0,0,0|1,0,2]=4 4189 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,1,0,0,0,0|1,0,1]=3 4190 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,1,0,0,0,0|1,0,1]=3 4191 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,1,0,0,0,0|1,0,1]=3 4192 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,1,0,0,0,0|1,0,1]=3 4193 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [0,1,0,0,0,0|2,0,1]=4 4194 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [0,1,0,0,0,0|2,0,1]=4 4195 B10R0.4 CSCCOCCCC(C)C 34a_100000210774_100000212216 [0,1,0,0,0,0|1,0,0]=2 4196 B10R0.4 CSCCOCCCC(C)C 34a_100000230434_100011214892 [0,1,0,0,0,0|1,0,0]=2 4197 B10R0.4 CSCCOCCCC(C)C 7a_100000210774_100000212216 [0,1,0,0,0,0|1,0,0]=2 4198 B10R0.4 CSCCOCCCC(C)C 7a_100000230434_100011214892 [0,1,0,0,0,0|1,0,0]=2 4199 B10R0.4 CSCCOCCCC(C)O 34a_100000230434_200000718107 [0,1,0,0,0,0|1,0,0]=2 4200 B10R0.4 CSCCOCCCC(C)O 7a_100000230434_200000718107 [0,1,0,0,0,0|1,0,0]=2 4201 B10R0.4 CSCCOCCCN(C)C 7a_100000230434_100000757444 [0,1,0,0,0,0|2,0,0]=3 4202 B10R0.4 CSCCOCCC[N+](=O)[O-] 34a_200000037920_100000212216 [0,1,0,0,0,0|3,0,0]=4 4203 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [0,1,0,0,0,0|2,0,1]=4 4204 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [0,1,0,0,0,0|2,0,1]=4 4205 B10R0.4 CSCCOCCNC(C)C 34a_100000224655_100000212216 [0,1,0,0,0,0|2,0,0]=3 4206 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [0,1,0,0,0,0|2,0,1]=4 4207 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [0,1,0,0,0,0|2,0,1]=4 4208 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [0,1,0,0,0,0|2,0,1]=4 4209 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [0,1,0,0,0,0|2,0,1]=4 4210 B10R0.4 CSCCOCCOC(C)C 34a_100000211219_100000212216 [0,1,0,0,0,0|2,0,0]=3 4211 B10R0.4 CSCCOCCOC(C)C 34a_100000230434_100000211751 [0,1,0,0,0,0|2,0,0]=3 4212 B10R0.4 CSCCOCCOC(C)C 7a_100000211219_100000212216 [0,1,0,0,0,0|2,0,0]=3 4213 B10R0.4 CSCCOCCOC(C)C 7a_100000230434_100000211751 [0,1,0,0,0,0|2,0,0]=3 4214 B10R0.4 CSCCOCCSC(C)C 34a_100000230434_100000730970 [0,1,0,0,0,0|2,0,0]=3 4215 B10R0.4 CSCCOCCSC(C)C 34a_200011212901_100000212216 [0,1,0,0,0,0|2,0,0]=3 4216 B10R0.4 CSCCOCCSC(C)C 7a_100000230434_100000730970 [0,1,0,0,0,0|2,0,0]=3 4217 B10R0.4 CSCCOCCSC(C)C 7a_200011212901_100000212216 [0,1,0,0,0,0|2,0,0]=3 4218 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,1,0,0,0,0|1,1,1]=4 4219 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,1,0,0,0,0|1,1,1]=4 4220 B10R0.4 CSCCSCCCC(C)C 62a_100000212216_100011214892 [0,1,0,0,0,0|1,1,0]=3 4221 B10R0.4 CSCCSCCCC(C)C 62a_100011214892_100000751147 [0,1,0,0,0,0|1,1,0]=3 4222 B10R0.4 CSCCSCCCC(C)O 62a_100000212216_200000718107 [0,1,0,0,0,0|1,1,0]=3 4223 B10R0.4 CSCCSCCCC(C)O 62a_200000718107_100000751147 [0,1,0,0,0,0|1,1,0]=3 4224 B10R0.4 CSCCSCCCN(C)C 62a_100000212216_100000757444 [0,1,0,0,0,0|2,1,0]=4 4225 B10R0.4 CSCCSCCOC(C)C 62a_100000211751_100000751147 [0,1,0,0,0,0|2,1,0]=4 4226 B10R0.4 CSCCSCCOC(C)C 62a_100000212216_100000211751 [0,1,0,0,0,0|2,1,0]=4 4227 B10R0.4 CSCCSCCSC(C)C 62a_100000212216_100000730970 [0,1,0,0,0,0|2,1,0]=4 4228 B10R0.4 CSCCSCCSC(C)C 62a_100000730970_100000751147 [0,1,0,0,0,0|2,1,0]=4 4229 B10R0.4 CSCOCCCCC(C)C 34a_100011214890_100011218213 [0,1,0,0,0,0|3,0,0]=4 4230 B10R0.4 CSCSCCCCC(C)C 62a_100011216152_100011218213 [0,1,0,0,0,0|3,0,0]=4 4231 B10R0.4 CSCSCCCCC(C)C 62a_100011218213_100011216152 [0,1,0,0,0,0|3,0,0]=4 4232 B10R0.4 C[C@@H](Cl)COCCCCCF 34a_100016084084_100000729378 [0,1,0,0,0,0|3,0,0]=4 4233 B10R0.4 C[C@@H](Cl)COCCCCCO 34a_100016084084_100000746330 [0,1,0,0,0,0|3,0,0]=4 4234 B10R0.4 C[C@@H](N)CCOCC#CCO 34a_100000706166_200000047223 [0,1,0,0,0,0|1,0,2]=4 4235 B10R0.4 C[C@@H](N)CCOCCCCF 34a_100000706166_100000729493 [0,1,0,0,0,0|1,0,0]=2 4236 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [0,1,0,0,0,0|1,0,0]=2 4237 B10R0.4 C[C@@H](N)COCCCCCF 34a_100000737577_100000729378 [0,1,0,0,0,0|3,0,0]=4 4238 B10R0.4 C[C@@H](N)COCCCCCO 34a_100000737577_100000746330 [0,1,0,0,0,0|3,0,0]=4 4239 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [0,1,0,0,0,0|3,0,0]=4 4240 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [0,1,0,0,0,0|3,0,0]=4 4241 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [0,1,0,0,0,0|3,0,0]=4 4242 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [0,1,0,0,0,0|3,0,0]=4 4243 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [0,1,0,0,0,0|3,0,0]=4 4244 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [0,1,0,0,0,0|3,0,0]=4 4245 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [0,1,0,0,0,0|3,0,0]=4 4246 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [0,1,0,0,0,0|3,0,0]=4 4247 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [0,1,0,0,0,0|3,0,0]=4 4248 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [0,1,0,0,0,0|3,0,0]=4 4249 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [0,1,0,0,0,0|3,0,0]=4 4250 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [0,1,0,0,0,0|3,0,0]=4 4251 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [0,1,0,0,0,0|3,0,0]=4 4252 B10R0.4 FCCCCOCCC(F)F 34a_100103093639_100000729493 [0,1,0,0,0,0|2,0,0]=3 4253 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [0,1,0,0,0,0|2,0,1]=4 4254 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [0,1,0,0,0,0|2,0,1]=4 4255 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [0,1,0,0,0,0|2,0,1]=4 4256 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [0,1,0,0,0,0|2,0,1]=4 4257 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [0,1,0,0,0,0|2,0,1]=4 4258 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [0,1,0,0,0,0|2,0,1]=4 4259 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [0,1,0,0,0,0|2,0,1]=4 4260 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [0,1,0,0,0,0|2,0,1]=4 4261 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [0,1,0,0,0,0|2,0,1]=4 4262 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [0,1,0,0,0,0|2,0,1]=4 4263 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [0,1,0,0,0,0|2,0,1]=4 4264 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [0,1,0,0,0,0|2,0,1]=4 4265 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [0,1,0,0,0,0|2,0,1]=4 4266 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [0,1,0,0,0,0|2,0,1]=4 4267 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [0,1,0,0,0,0|2,0,1]=4 4268 B10R0.4 O=[N+]([O-])CCCOCCCF 34a_200000037920_100011934791 [0,1,0,0,0,0|3,0,0]=4 4269 B10R0.4 O=[N+]([O-])CCCOCCCO 34a_200000037920_100000230001 [0,1,0,0,0,0|3,0,0]=4 4270 B10R0.4 OCCCCOCCC(F)F 34a_100103093639_100011216708 [0,1,0,0,0,0|2,0,0]=3 4271 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,1,0,0,0,0|2,0,1]=4 4272 B10R0.71 C#CCCCCCCCNC 2230a_106832991635_100153394163 [0,1,0,0,0,0|1,0,2]=4 4273 B10R0.71 C#CCCCCCCCNC 34a_100102657272_100153394163 [0,1,0,0,0,0|1,0,2]=4 4274 B10R0.71 C#CCCCCCCCNC 7a_106832991635_100153394163 [0,1,0,0,0,0|1,0,2]=4 4275 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [0,1,0,0,0,0|1,0,2]=4 4276 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [0,1,0,0,0,0|1,0,2]=4 4277 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [0,1,0,0,0,0|1,0,2]=4 4278 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [0,1,0,0,0,0|1,0,2]=4 4279 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [0,1,0,0,0,0|1,0,2]=4 4280 B10R0.71 C#CCCCCCCCSC 62a_100153394163_200000210301 [0,1,0,0,0,0|1,0,2]=4 4281 B10R0.71 C#CCCCCCCCSC 62a_200000210301_100153394163 [0,1,0,0,0,0|1,0,2]=4 4282 B10R0.71 C#CCCCCCCCS[13CH3] 62a_100153394163_200025704644 [0,1,0,0,0,0|1,0,2]=4 4283 B10R0.71 C#CCCCCCCCS[13CH3] 62a_200025704644_100153394163 [0,1,0,0,0,0|1,0,2]=4 4284 B10R0.71 C#CCCCCCCNCC 2230a_100015525214_100012276617 [0,1,0,0,0,0|1,0,2]=4 4285 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [0,1,0,0,0,0|1,0,2]=4 4286 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [0,1,0,0,0,0|1,0,2]=4 4287 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [0,1,0,0,0,0|1,0,2]=4 4288 B10R0.71 C#CCCCCCCSCC 62a_100000210202_100012276617 [0,1,0,0,0,0|1,0,2]=4 4289 B10R0.71 C#CCCCCCCSCC 62a_100012276617_100000210202 [0,1,0,0,0,0|1,0,2]=4 4290 B10R0.71 C#CCCCCCOCCC 34a_100000210258_100012094781 [0,1,0,0,0,0|1,0,2]=4 4291 B10R0.71 C#CCCCCCOCCC 34a_100000766912_100000210303 [0,1,0,0,0,0|1,0,2]=4 4292 B10R0.71 C#CCCCCCOCCC 7a_100000766912_100000210303 [0,1,0,0,0,0|1,0,2]=4 4293 B10R0.71 C#CCCCCCSCCC 62a_100000210303_100012094781 [0,1,0,0,0,0|1,0,2]=4 4294 B10R0.71 C#CCCCCCSCCC 62a_100012094781_100000210303 [0,1,0,0,0,0|1,0,2]=4 4295 B10R0.71 C#CCCCCNCCCC 2230a_100000102301_100010269958 [0,1,0,0,0,0|1,0,1]=3 4296 B10R0.71 C#CCCCCNCCCC 2230a_100000706060_100000210211 [0,1,0,0,0,0|1,0,1]=3 4297 B10R0.71 C#CCCCCNCCCC 34a_100000706060_100000210210 [0,1,0,0,0,0|1,0,1]=3 4298 B10R0.71 C#CCCCCNCCCC 7a_106832991798_100010269958 [0,1,0,0,0,0|1,0,1]=3 4299 B10R0.71 C#CCCCCNCCCF 2230a_100000706060_100011934791 [0,1,0,0,0,0|2,0,1]=4 4300 B10R0.71 C#CCCCCNCCCF 2230a_100015189416_100010269958 [0,1,0,0,0,0|2,0,1]=4 4301 B10R0.71 C#CCCCCNCCCF 34a_100000706060_100011934791 [0,1,0,0,0,0|2,0,1]=4 4302 B10R0.71 C#CCCCCNCCCF 34a_100015189416_100010269958 [0,1,0,0,0,0|2,0,1]=4 4303 B10R0.71 C#CCCCCNCCCO 2230a_100000706060_100000230001 [0,1,0,0,0,0|2,0,1]=4 4304 B10R0.71 C#CCCCCNCCCO 34a_100000706060_100000230001 [0,1,0,0,0,0|2,0,1]=4 4305 B10R0.71 C#CCCCCNCCOC 2230a_100000209980_100010269958 [0,1,0,0,0,0|2,0,1]=4 4306 B10R0.71 C#CCCCCNCCOC 2230a_100000706060_100011201679 [0,1,0,0,0,0|2,0,1]=4 4307 B10R0.71 C#CCCCCNCCOC 34a_100000706060_100011201679 [0,1,0,0,0,0|2,0,1]=4 4308 B10R0.71 C#CCCCCNCCSC 2230a_100000706060_100000751147 [0,1,0,0,0,0|2,0,1]=4 4309 B10R0.71 C#CCCCCNCCSC 2230a_100020590264_100010269958 [0,1,0,0,0,0|2,0,1]=4 4310 B10R0.71 C#CCCCCNCCSC 34a_100000706060_100000212216 [0,1,0,0,0,0|2,0,1]=4 4311 B10R0.71 C#CCCCCOC/C=C/C 34a_100000766709_100102629194 [0,1,0,0,0,0|0,0,3]=4 4312 B10R0.71 C#CCCCCOC/C=C/C 34a_100016270725_100010269958 [0,1,0,0,0,0|0,0,3]=4 4313 B10R0.71 C#CCCCCOC/C=C/C 7a_100000766709_100102629194 [0,1,0,0,0,0|0,0,3]=4 4314 B10R0.71 C#CCCCCOCC#CC 34a_100000761923_100010269958 [0,1,0,0,0,0|0,0,3]=4 4315 B10R0.71 C#CCCCCOCC#CC 34a_100000766709_100000748600 [0,1,0,0,0,0|0,0,3]=4 4316 B10R0.71 C#CCCCCOCC#CC 7a_100000766709_100000748600 [0,1,0,0,0,0|0,0,3]=4 4317 B10R0.71 C#CCCCCOCC=CC 34a_100000766709_100000070051 [0,1,0,0,0,0|0,0,3]=4 4318 B10R0.71 C#CCCCCOCC=CC 7a_100000766709_100000070051 [0,1,0,0,0,0|0,0,3]=4 4319 B10R0.71 C#CCCCCOCCC#C 34a_100000766709_100000688953 [0,1,0,0,0,0|0,0,3]=4 4320 B10R0.71 C#CCCCCOCCC#C 34a_100011215631_100010269958 [0,1,0,0,0,0|0,0,3]=4 4321 B10R0.71 C#CCCCCOCCC#C 7a_100000766709_100000688953 [0,1,0,0,0,0|0,0,3]=4 4322 B10R0.71 C#CCCCCOCCC#N 7a_100000766709_100000184422 [0,1,0,0,0,0|1,0,2]=4 4323 B10R0.71 C#CCCCCOCCC=C 34a_100000766709_100000754431 [0,1,0,0,0,0|0,0,3]=4 4324 B10R0.71 C#CCCCCOCCC=C 34a_100011205117_100010269958 [0,1,0,0,0,0|0,0,3]=4 4325 B10R0.71 C#CCCCCOCCC=C 7a_100000766709_100000754431 [0,1,0,0,0,0|0,0,3]=4 4326 B10R0.71 C#CCCCCOCCCBr 34a_100011217188_100010269958 [0,1,0,0,0,0|1,0,1]=3 4327 B10R0.71 C#CCCCCOCCCC 34a_100000210227_100010269958 [0,1,0,0,0,0|0,0,1]=2 4328 B10R0.71 C#CCCCCOCCCC 34a_100000766709_100000210210 [0,1,0,0,0,0|0,0,1]=2 4329 B10R0.71 C#CCCCCOCCCC 7a_100000210227_100010269958 [0,1,0,0,0,0|0,0,1]=2 4330 B10R0.71 C#CCCCCOCCCC 7a_100000766709_100000210211 [0,1,0,0,0,0|0,0,1]=2 4331 B10R0.71 C#CCCCCOCCCCl 34a_100000230001_100010269958 [0,1,0,0,0,0|1,0,1]=3 4332 B10R0.71 C#CCCCCOCCCF 34a_100000759539_100010269958 [0,1,0,0,0,0|1,0,1]=3 4333 B10R0.71 C#CCCCCOCCCF 34a_100000766709_100011934791 [0,1,0,0,0,0|1,0,1]=3 4334 B10R0.71 C#CCCCCOCCCF 7a_100000766709_100011934791 [0,1,0,0,0,0|1,0,1]=3 4335 B10R0.71 C#CCCCCOCCCN 34a_100000182051_100010269958 [0,1,0,0,0,0|1,0,1]=3 4336 B10R0.71 C#CCCCCOCCCO 34a_100000766709_100000230001 [0,1,0,0,0,0|1,0,1]=3 4337 B10R0.71 C#CCCCCOCCCO 7a_100000766709_100011215043 [0,1,0,0,0,0|1,0,1]=3 4338 B10R0.71 C#CCCCCOCCOC 34a_100000210237_100010269958 [0,1,0,0,0,0|1,0,1]=3 4339 B10R0.71 C#CCCCCOCCOC 34a_100000766709_100011201679 [0,1,0,0,0,0|1,0,1]=3 4340 B10R0.71 C#CCCCCOCCOC 7a_100000766709_100000233755 [0,1,0,0,0,0|1,0,1]=3 4341 B10R0.71 C#CCCCCOCCON 34a_100000700252_100010269958 [0,1,0,0,0,0|2,0,1]=4 4342 B10R0.71 C#CCCCCOCCSC 34a_100000230434_100010269958 [0,1,0,0,0,0|1,0,1]=3 4343 B10R0.71 C#CCCCCOCCSC 34a_100000766709_100000212216 [0,1,0,0,0,0|1,0,1]=3 4344 B10R0.71 C#CCCCCOCCSC 7a_100000230434_100010269958 [0,1,0,0,0,0|1,0,1]=3 4345 B10R0.71 C#CCCCCOCCSC 7a_100000766709_100000212216 [0,1,0,0,0,0|1,0,1]=3 4346 B10R0.71 C#CCCCCSCCCC 62a_100000210211_100010269958 [0,1,0,0,0,0|0,1,1]=3 4347 B10R0.71 C#CCCCCSCCCC 62a_100010269958_100000210210 [0,1,0,0,0,0|0,1,1]=3 4348 B10R0.71 C#CCCCCSCCCF 62a_100010269958_100011934791 [0,1,0,0,0,0|1,1,1]=4 4349 B10R0.71 C#CCCCCSCCCF 62a_100011934791_100010269958 [0,1,0,0,0,0|1,1,1]=4 4350 B10R0.71 C#CCCCCSCCCO 62a_100010269958_100011215043 [0,1,0,0,0,0|1,1,1]=4 4351 B10R0.71 C#CCCCCSCCCO 62a_100011215043_100010269958 [0,1,0,0,0,0|1,1,1]=4 4352 B10R0.71 C#CCCCCSCCOC 62a_100000233755_100010269958 [0,1,0,0,0,0|1,1,1]=4 4353 B10R0.71 C#CCCCCSCCOC 62a_100010269958_100000233755 [0,1,0,0,0,0|1,1,1]=4 4354 B10R0.71 C#CCCCCSCCSC 62a_100000212216_100010269958 [0,1,0,0,0,0|1,1,1]=4 4355 B10R0.71 C#CCCCCSCCSC 62a_100010269958_100000751147 [0,1,0,0,0,0|1,1,1]=4 4356 B10R0.71 C#CCCCCSCOCC 62a_100000739092_100010269958 [0,1,0,0,0,0|1,1,1]=4 4357 B10R0.71 C#CCCCCSCOCC 62a_100010269958_100000739092 [0,1,0,0,0,0|1,1,1]=4 4358 B10R0.71 C#CCCCNCCCCC 2230a_100000209983_100000731252 [0,1,0,0,0,0|1,0,1]=3 4359 B10R0.71 C#CCCCNCCCCC 34a_100000718082_100000718602 [0,1,0,0,0,0|1,0,1]=3 4360 B10R0.71 C#CCCCNCCCCF 34a_100000718082_100000729493 [0,1,0,0,0,0|1,0,2]=4 4361 B10R0.71 C#CCCCNCCCCO 2230a_100000750430_100000731252 [0,1,0,0,0,0|1,0,2]=4 4362 B10R0.71 C#CCCCNCCCCO 34a_100000718082_100011216708 [0,1,0,0,0,0|1,0,2]=4 4363 B10R0.71 C#CCCCNCCCCO 34a_100000750430_100000695029 [0,1,0,0,0,0|1,0,2]=4 4364 B10R0.71 C#CCCCNCCCOC 34a_100000718082_100000740836 [0,1,0,0,0,0|1,0,2]=4 4365 B10R0.71 C#CCCCNCCCOC 34a_100150723488_100000695029 [0,1,0,0,0,0|1,0,2]=4 4366 B10R0.71 C#CCCCNCCCSC 2230a_100000749238_100000731252 [0,1,0,0,0,0|1,0,2]=4 4367 B10R0.71 C#CCCCNCCOCC 2230a_102516460346_100000731252 [0,1,0,0,0,0|1,0,2]=4 4368 B10R0.71 C#CCCCNCCOCC 34a_100000718082_100000210147 [0,1,0,0,0,0|1,0,2]=4 4369 B10R0.71 C#CCCCNCCOCC 34a_102516460346_100000695029 [0,1,0,0,0,0|1,0,2]=4 4370 B10R0.71 C#CCCCNCCSCC 2230a_100000106463_100000731252 [0,1,0,0,0,0|1,0,2]=4 4371 B10R0.71 C#CCCCNCCSCC 34a_100000718082_100000757381 [0,1,0,0,0,0|1,0,2]=4 4372 B10R0.71 C#CCCCOC/C=C\CC 34a_100000215630_100103147603 [0,1,0,0,0,0|0,0,3]=4 4373 B10R0.71 C#CCCCOC/C=C\CC 34a_100016268518_100000695029 [0,1,0,0,0,0|0,0,3]=4 4374 B10R0.71 C#CCCCOC/C=C\CC 7a_100000215630_100103147603 [0,1,0,0,0,0|0,0,3]=4 4375 B10R0.71 C#CCCCOCC#CCC 34a_100000032950_100000695029 [0,1,0,0,0,0|0,0,3]=4 4376 B10R0.71 C#CCCCOCC#CCC 34a_100000215630_100009813939 [0,1,0,0,0,0|0,0,3]=4 4377 B10R0.71 C#CCCCOCC#CCC 7a_100000215630_100009813939 [0,1,0,0,0,0|0,0,3]=4 4378 B10R0.71 C#CCCCOCC/C=C/C 34a_100016278192_100000695029 [0,1,0,0,0,0|0,0,3]=4 4379 B10R0.71 C#CCCCOCCC#CC 34a_100000750427_100000695029 [0,1,0,0,0,0|0,0,3]=4 4380 B10R0.71 C#CCCCOCCCC#C 34a_100000215630_100000695029 [0,1,0,0,0,0|0,0,3]=4 4381 B10R0.71 C#CCCCOCCCC#C 7a_100000215630_100011215417 [0,1,0,0,0,0|0,0,3]=4 4382 B10R0.71 C#CCCCOCCCC#N 7a_100000215630_100000687738 [0,1,0,0,0,0|0,0,3]=4 4383 B10R0.71 C#CCCCOCCCC=C 34a_100000215630_100000757094 [0,1,0,0,0,0|0,0,3]=4 4384 B10R0.71 C#CCCCOCCCC=C 34a_100000758997_100000695029 [0,1,0,0,0,0|0,0,3]=4 4385 B10R0.71 C#CCCCOCCCC=C 7a_100000215630_100000757094 [0,1,0,0,0,0|0,0,3]=4 4386 B10R0.71 C#CCCCOCCCC=C 7a_100000758997_100011215417 [0,1,0,0,0,0|0,0,3]=4 4387 B10R0.71 C#CCCCOCCCC=O 7a_100000215630_200011292268 [0,1,0,0,0,0|0,0,3]=4 4388 B10R0.71 C#CCCCOCCCCBr 34a_100011216708_100000695029 [0,1,0,0,0,0|0,0,2]=3 4389 B10R0.71 C#CCCCOCCCCC 34a_100000210253_100000695029 [0,1,0,0,0,0|0,0,1]=2 4390 B10R0.71 C#CCCCOCCCCC 34a_100000215630_100000718602 [0,1,0,0,0,0|0,0,1]=2 4391 B10R0.71 C#CCCCOCCCCC 7a_100000210253_100011215417 [0,1,0,0,0,0|0,0,1]=2 4392 B10R0.71 C#CCCCOCCCCC 7a_100000215630_100000210326 [0,1,0,0,0,0|0,0,1]=2 4393 B10R0.71 C#CCCCOCCCCCl 34a_100000210776_100000695029 [0,1,0,0,0,0|0,0,2]=3 4394 B10R0.71 C#CCCCOCCCCCl 7a_100000210776_100011215417 [0,1,0,0,0,0|0,0,2]=3 4395 B10R0.71 C#CCCCOCCCCF 34a_100000215630_100000729493 [0,1,0,0,0,0|0,0,2]=3 4396 B10R0.71 C#CCCCOCCCCF 34a_100011995726_100000695029 [0,1,0,0,0,0|0,0,2]=3 4397 B10R0.71 C#CCCCOCCCCF 7a_100000215630_100000729493 [0,1,0,0,0,0|0,0,2]=3 4398 B10R0.71 C#CCCCOCCCCF 7a_100011995726_100011215417 [0,1,0,0,0,0|0,0,2]=3 4399 B10R0.71 C#CCCCOCCCCI 34a_200012148704_100000695029 [0,1,0,0,0,0|0,0,2]=3 4400 B10R0.71 C#CCCCOCCCCN 34a_100000750430_100000695029 [0,1,0,0,0,0|0,0,2]=3 4401 B10R0.71 C#CCCCOCCCCO 34a_100000215630_100011216708 [0,1,0,0,0,0|0,0,2]=3 4402 B10R0.71 C#CCCCOCCCCO 7a_100000215630_100000210776 [0,1,0,0,0,0|0,0,2]=3 4403 B10R0.71 C#CCCCOCCCNC 34a_100000213112_100000695029 [0,1,0,0,0,0|0,0,2]=3 4404 B10R0.71 C#CCCCOCCCOC 34a_100000215630_100000740836 [0,1,0,0,0,0|0,0,2]=3 4405 B10R0.71 C#CCCCOCCCOC 34a_100000740835_100000695029 [0,1,0,0,0,0|0,0,2]=3 4406 B10R0.71 C#CCCCOCCCOC 7a_100000215630_100000740836 [0,1,0,0,0,0|0,0,2]=3 4407 B10R0.71 C#CCCCOCCCSC 34a_100000690336_100000695029 [0,1,0,0,0,0|0,0,2]=3 4408 B10R0.71 C#CCCCOCCCSC 7a_100000690336_100011215417 [0,1,0,0,0,0|0,0,2]=3 4409 B10R0.71 C#CCCCOCCOCC 34a_100000210136_100000695029 [0,1,0,0,0,0|0,0,2]=3 4410 B10R0.71 C#CCCCOCCOCC 34a_100000215630_100000210147 [0,1,0,0,0,0|0,0,2]=3 4411 B10R0.71 C#CCCCOCCOCC 7a_100000210136_100011215417 [0,1,0,0,0,0|0,0,2]=3 4412 B10R0.71 C#CCCCOCCOCC 7a_100000215630_100011215890 [0,1,0,0,0,0|0,0,2]=3 4413 B10R0.71 C#CCCCOCCSCC 34a_100000212035_100000695029 [0,1,0,0,0,0|0,0,2]=3 4414 B10R0.71 C#CCCCOCCSCC 34a_100000215630_100000757381 [0,1,0,0,0,0|0,0,2]=3 4415 B10R0.71 C#CCCCOCCSCC 7a_100000212035_100011215417 [0,1,0,0,0,0|0,0,2]=3 4416 B10R0.71 C#CCCCOCCSCC 7a_100000215630_100000757381 [0,1,0,0,0,0|0,0,2]=3 4417 B10R0.71 C#CCCCSCCCCC 62a_100000210326_100011215417 [0,1,0,0,0,0|0,1,1]=3 4418 B10R0.71 C#CCCCSCCCCC 62a_100011215417_100000210326 [0,1,0,0,0,0|0,1,1]=3 4419 B10R0.71 C#CCCCSCCCCF 62a_100000729493_100011215417 [0,1,0,0,0,0|0,1,2]=4 4420 B10R0.71 C#CCCCSCCCCF 62a_100011215417_100000729493 [0,1,0,0,0,0|0,1,2]=4 4421 B10R0.71 C#CCCCSCCCCO 62a_100000210776_100011215417 [0,1,0,0,0,0|0,1,2]=4 4422 B10R0.71 C#CCCCSCCCCO 62a_100011215417_100000210776 [0,1,0,0,0,0|0,1,2]=4 4423 B10R0.71 C#CCCCSCCCOC 62a_100000709357_100011215417 [0,1,0,0,0,0|0,1,2]=4 4424 B10R0.71 C#CCCCSCCCOC 62a_100011215417_100000709357 [0,1,0,0,0,0|0,1,2]=4 4425 B10R0.71 C#CCCCSCCOCC 62a_100000210147_100011215417 [0,1,0,0,0,0|0,1,2]=4 4426 B10R0.71 C#CCCCSCCOCC 62a_100011215417_100011215890 [0,1,0,0,0,0|0,1,2]=4 4427 B10R0.71 C#CCCCSCCSCC 62a_100000757381_100011215417 [0,1,0,0,0,0|0,1,2]=4 4428 B10R0.71 C#CCCCSCCSCC 62a_100011215417_100000757381 [0,1,0,0,0,0|0,1,2]=4 4429 B10R0.71 C#CCCNCCCCCC 2230a_100000210581_100000688953 [0,1,0,0,0,0|1,0,2]=4 4430 B10R0.71 C#CCCNCCCCCC 34a_100000755551_100000210314 [0,1,0,0,0,0|1,0,2]=4 4431 B10R0.71 C#CCCNCCCCCF 34a_100000755551_100000729378 [0,1,0,0,0,0|1,0,2]=4 4432 B10R0.71 C#CCCNCCCCCO 2230a_100000762737_100000688953 [0,1,0,0,0,0|1,0,2]=4 4433 B10R0.71 C#CCCNCCCCCO 34a_100000755551_100000746330 [0,1,0,0,0,0|1,0,2]=4 4434 B10R0.71 C#CCCNCCCCCO 34a_100000762737_100000688953 [0,1,0,0,0,0|1,0,2]=4 4435 B10R0.71 C#CCCNCCCCOC 34a_100000755551_100000755781 [0,1,0,0,0,0|1,0,2]=4 4436 B10R0.71 C#CCCNCCCOCC 2230a_100000210961_100000688953 [0,1,0,0,0,0|1,0,2]=4 4437 B10R0.71 C#CCCNCCCOCC 34a_100000210961_100000688953 [0,1,0,0,0,0|1,0,2]=4 4438 B10R0.71 C#CCCNCCCOCC 34a_100000755551_100012232248 [0,1,0,0,0,0|1,0,2]=4 4439 B10R0.71 C#CCCNCCOCCC 2230a_100161115042_100000688953 [0,1,0,0,0,0|1,0,2]=4 4440 B10R0.71 C#CCCNCCOCCC 34a_100000755551_100011215938 [0,1,0,0,0,0|1,0,2]=4 4441 B10R0.71 C#CCCNCCOCCC 34a_100161115042_100000688953 [0,1,0,0,0,0|1,0,2]=4 4442 B10R0.71 C#CCCNCCSCCC 2230a_100020603323_100000688953 [0,1,0,0,0,0|1,0,2]=4 4443 B10R0.71 C#CCCNCOCCCC 34a_100000755551_100011995733 [0,1,0,0,0,0|0,0,2]=3 4444 B10R0.71 C#CCCOC/C=C/CCC 34a_100016278788_100000688953 [0,1,0,0,0,0|0,0,3]=4 4445 B10R0.71 C#CCCOC/C=C/CCC 7a_100016278788_100000688953 [0,1,0,0,0,0|0,0,3]=4 4446 B10R0.71 C#CCCOCC#CCCC 34a_100000034806_100000688953 [0,1,0,0,0,0|0,0,3]=4 4447 B10R0.71 C#CCCOCC#CCCC 7a_100000034806_100000688953 [0,1,0,0,0,0|0,0,3]=4 4448 B10R0.71 C#CCCOCC/C=C\CC 34a_100011215631_100015370543 [0,1,0,0,0,0|0,0,3]=4 4449 B10R0.71 C#CCCOCC/C=C\CC 34a_100016288707_100000688953 [0,1,0,0,0,0|0,0,3]=4 4450 B10R0.71 C#CCCOCC/C=C\CC 7a_100016288707_100000688953 [0,1,0,0,0,0|0,0,3]=4 4451 B10R0.71 C#CCCOCCC#CCC 34a_100000036655_100000688953 [0,1,0,0,0,0|0,0,3]=4 4452 B10R0.71 C#CCCOCCC#CCC 7a_100000036655_100000688953 [0,1,0,0,0,0|0,0,3]=4 4453 B10R0.71 C#CCCOCCCC=CC 34a_100020645299_100000688953 [0,1,0,0,0,0|0,0,3]=4 4454 B10R0.71 C#CCCOCCCCC=C 34a_100000766645_100000688953 [0,1,0,0,0,0|0,0,3]=4 4455 B10R0.71 C#CCCOCCCCC=C 34a_100011215631_100011215482 [0,1,0,0,0,0|0,0,3]=4 4456 B10R0.71 C#CCCOCCCCC=C 7a_100000766645_100000688953 [0,1,0,0,0,0|0,0,3]=4 4457 B10R0.71 C#CCCOCCCCCBr 34a_100000746331_100000688953 [0,1,0,0,0,0|0,0,2]=3 4458 B10R0.71 C#CCCOCCCCCBr 7a_100000746331_100000688953 [0,1,0,0,0,0|0,0,2]=3 4459 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [0,1,0,0,0,0|0,0,2]=3 4460 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [0,1,0,0,0,0|0,0,2]=3 4461 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [0,1,0,0,0,0|0,0,2]=3 4462 B10R0.71 C#CCCOCCCCCCl 34a_100000746330_100000688953 [0,1,0,0,0,0|0,0,2]=3 4463 B10R0.71 C#CCCOCCCCCCl 7a_100000746330_100000688953 [0,1,0,0,0,0|0,0,2]=3 4464 B10R0.71 C#CCCOCCCCCF 34a_100011215631_100000729378 [0,1,0,0,0,0|0,0,2]=3 4465 B10R0.71 C#CCCOCCCCCI 34a_200012148887_100000688953 [0,1,0,0,0,0|0,0,2]=3 4466 B10R0.71 C#CCCOCCCCCI 7a_200012148887_100000688953 [0,1,0,0,0,0|0,0,2]=3 4467 B10R0.71 C#CCCOCCCCCN 34a_100000762737_100000688953 [0,1,0,0,0,0|0,0,2]=3 4468 B10R0.71 C#CCCOCCCCCO 34a_100011215631_100000746330 [0,1,0,0,0,0|0,0,2]=3 4469 B10R0.71 C#CCCOCCCCOC 34a_100000740925_100000688953 [0,1,0,0,0,0|0,0,2]=3 4470 B10R0.71 C#CCCOCCCCOC 34a_100011215631_100000755781 [0,1,0,0,0,0|0,0,2]=3 4471 B10R0.71 C#CCCOCCCCSC 34a_100011217163_100000688953 [0,1,0,0,0,0|0,0,2]=3 4472 B10R0.71 C#CCCOCCCCSC 7a_100011217163_100000688953 [0,1,0,0,0,0|0,0,2]=3 4473 B10R0.71 C#CCCOCCCOCC 34a_100000757476_100000688953 [0,1,0,0,0,0|0,0,2]=3 4474 B10R0.71 C#CCCOCCCOCC 34a_100011215631_100012232248 [0,1,0,0,0,0|0,0,2]=3 4475 B10R0.71 C#CCCOCCCOCC 7a_100000757476_100000688953 [0,1,0,0,0,0|0,0,2]=3 4476 B10R0.71 C#CCCOCCCSCC 34a_100011216438_100000688953 [0,1,0,0,0,0|0,0,2]=3 4477 B10R0.71 C#CCCOCCCSCC 7a_100011216438_100000688953 [0,1,0,0,0,0|0,0,2]=3 4478 B10R0.71 C#CCCOCCOCCBr 34a_100000692535_100000688953 [0,1,0,0,0,0|1,0,2]=4 4479 B10R0.71 C#CCCOCCOCCBr 7a_100000692535_100000688953 [0,1,0,0,0,0|1,0,2]=4 4480 B10R0.71 C#CCCOCCOCCC 34a_100000752267_100000688953 [0,1,0,0,0,0|0,0,2]=3 4481 B10R0.71 C#CCCOCCOCCC 34a_100011215631_100011215938 [0,1,0,0,0,0|0,0,2]=3 4482 B10R0.71 C#CCCOCCOCCC 7a_100000752267_100000688953 [0,1,0,0,0,0|0,0,2]=3 4483 B10R0.71 C#CCCOCCOCCCl 34a_100011215305_100000688953 [0,1,0,0,0,0|1,0,2]=4 4484 B10R0.71 C#CCCOCCOCCCl 7a_100011215305_100000688953 [0,1,0,0,0,0|1,0,2]=4 4485 B10R0.71 C#CCCOCCOCCF 34a_200015357709_100000688953 [0,1,0,0,0,0|1,0,2]=4 4486 B10R0.71 C#CCCOCCOCCF 7a_200015357709_100000688953 [0,1,0,0,0,0|1,0,2]=4 4487 B10R0.71 C#CCCOCCOCCI 34a_100012149058_100000688953 [0,1,0,0,0,0|1,0,2]=4 4488 B10R0.71 C#CCCOCCOCCI 7a_100012149058_100000688953 [0,1,0,0,0,0|1,0,2]=4 4489 B10R0.71 C#CCCOCCOCCN 34a_100000211614_100000688953 [0,1,0,0,0,0|1,0,2]=4 4490 B10R0.71 C#CCCOCCOCCO 34a_100011215631_100000692535 [0,1,0,0,0,0|1,0,2]=4 4491 B10R0.71 C#CCCOCCSCCC 34a_200000230433_100000688953 [0,1,0,0,0,0|0,0,2]=3 4492 B10R0.71 C#CCCOCCSCCC 7a_200000230433_100000688953 [0,1,0,0,0,0|0,0,2]=3 4493 B10R0.71 C#CCCOCOCCCC 34a_100011215631_100011995733 [0,1,0,0,0,0|0,0,2]=3 4494 B10R0.71 C#CCCSCCCCCC 62a_100000210314_100000688953 [0,1,0,0,0,0|0,1,2]=4 4495 B10R0.71 C#CCCSCCCCCC 62a_100000688953_100000210757 [0,1,0,0,0,0|0,1,2]=4 4496 B10R0.71 C#CCCSCCCCCF 62a_100000688953_100000729378 [0,1,0,0,0,0|0,1,2]=4 4497 B10R0.71 C#CCCSCCCCCF 62a_100000729378_100000688953 [0,1,0,0,0,0|0,1,2]=4 4498 B10R0.71 C#CCCSCCCCCO 62a_100000688953_100000746330 [0,1,0,0,0,0|0,1,2]=4 4499 B10R0.71 C#CCCSCCCCCO 62a_100000746330_100000688953 [0,1,0,0,0,0|0,1,2]=4 4500 B10R0.71 C#CCCSCCCCOC 62a_100000688953_100000730899 [0,1,0,0,0,0|0,1,2]=4 4501 B10R0.71 C#CCCSCCCCOC 62a_100000730899_100000688953 [0,1,0,0,0,0|0,1,2]=4 4502 B10R0.71 C#CCCSCCCOCC 62a_100000688953_100012232248 [0,1,0,0,0,0|0,1,2]=4 4503 B10R0.71 C#CCCSCCCOCC 62a_100012232248_100000688953 [0,1,0,0,0,0|0,1,2]=4 4504 B10R0.71 C#CCCSCCOCCC 62a_100000688953_100011215938 [0,1,0,0,0,0|0,1,2]=4 4505 B10R0.71 C#CCCSCCOCCC 62a_100011215938_100000688953 [0,1,0,0,0,0|0,1,2]=4 4506 B10R0.71 C#CCCSCOCCCC 62a_100000688953_100011995733 [0,1,0,0,0,0|0,0,2]=3 4507 B10R0.71 C#CCCSCOCCCC 62a_100011995733_100000688953 [0,1,0,0,0,0|0,0,2]=3 4508 B10R0.71 C#CCCSCOCCOC 62a_100000231047_100000688953 [0,1,0,0,0,0|1,0,2]=4 4509 B10R0.71 C#CCCSCOCCOC 62a_100000688953_100000231047 [0,1,0,0,0,0|1,0,2]=4 4510 B10R0.71 C#CCNCCCCCCC 2230a_100000229938_100000038162 [0,1,0,0,0,0|1,0,2]=4 4511 B10R0.71 C#CCNCCCCCCC 34a_100000212058_100000210614 [0,1,0,0,0,0|1,0,2]=4 4512 B10R0.71 C#CCNCCOCCCC 34a_100000212058_100000743108 [0,1,0,0,0,0|0,0,2]=3 4513 B10R0.71 C#CCNCCOCCOC 2230a_100000745349_100000038162 [0,1,0,0,0,0|1,0,2]=4 4514 B10R0.71 C#CCNCCOCCOC 34a_100000212058_100000695917 [0,1,0,0,0,0|1,0,2]=4 4515 B10R0.71 C#CCNCCOCCOC 34a_100000745349_100000184674 [0,1,0,0,0,0|1,0,2]=4 4516 B10R0.71 C#CCNCCSCCCC 2230a_100025743550_100000038162 [0,1,0,0,0,0|0,1,2]=4 4517 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [0,1,0,0,0,0|1,0,2]=4 4518 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [0,1,0,0,0,0|1,0,2]=4 4519 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [0,1,0,0,0,0|1,0,2]=4 4520 B10R0.71 C#CCOCCNCCCC 2230a_100000102301_100010402529 [0,1,0,0,0,0|1,0,2]=4 4521 B10R0.71 C#CCOCCNCCCC 2230a_100000700922_100000210211 [0,1,0,0,0,0|1,0,2]=4 4522 B10R0.71 C#CCOCCNCCCC 34a_100000700922_100000210210 [0,1,0,0,0,0|1,0,2]=4 4523 B10R0.71 C#CCOCCNCCCC 7a_106832991798_100010402529 [0,1,0,0,0,0|1,0,2]=4 4524 B10R0.71 C#CCOCCOCCCBr 34a_100011217188_100010402529 [0,1,0,0,0,0|1,0,2]=4 4525 B10R0.71 C#CCOCCOCCCC 34a_100000054580_100000210210 [0,1,0,0,0,0|0,0,2]=3 4526 B10R0.71 C#CCOCCOCCCC 34a_100000210227_100010402529 [0,1,0,0,0,0|0,0,2]=3 4527 B10R0.71 C#CCOCCOCCCC 34a_100000210238_100000184674 [0,1,0,0,0,0|0,0,2]=3 4528 B10R0.71 C#CCOCCOCCCC 34a_100000210247_100000743108 [0,1,0,0,0,0|0,0,2]=3 4529 B10R0.71 C#CCOCCOCCCC 7a_100000054580_100000210211 [0,1,0,0,0,0|0,0,2]=3 4530 B10R0.71 C#CCOCCOCCCC 7a_100000210227_100010402529 [0,1,0,0,0,0|0,0,2]=3 4531 B10R0.71 C#CCOCCOCCCC 7a_100000210238_100000038162 [0,1,0,0,0,0|0,0,2]=3 4532 B10R0.71 C#CCOCCOCCCCl 34a_100000230001_100010402529 [0,1,0,0,0,0|1,0,2]=4 4533 B10R0.71 C#CCOCCOCCCF 34a_100000054580_100011934791 [0,1,0,0,0,0|1,0,2]=4 4534 B10R0.71 C#CCOCCOCCCF 34a_100000759539_100010402529 [0,1,0,0,0,0|1,0,2]=4 4535 B10R0.71 C#CCOCCOCCCF 7a_100000054580_100011934791 [0,1,0,0,0,0|1,0,2]=4 4536 B10R0.71 C#CCOCCOCCCN 34a_100000182051_100010402529 [0,1,0,0,0,0|1,0,2]=4 4537 B10R0.71 C#CCOCCOCCCO 34a_100000054580_100000230001 [0,1,0,0,0,0|1,0,2]=4 4538 B10R0.71 C#CCOCCOCCCO 7a_100000054580_100011215043 [0,1,0,0,0,0|1,0,2]=4 4539 B10R0.71 C#CCOCCOCCNC 2230a_100000056377_200000210301 [0,1,0,0,0,0|1,0,2]=4 4540 B10R0.71 C#CCOCCOCCNC 2230a_106832991635_100010408581 [0,1,0,0,0,0|1,0,2]=4 4541 B10R0.71 C#CCOCCOCCNC 34a_100000056377_200000210301 [0,1,0,0,0,0|1,0,2]=4 4542 B10R0.71 C#CCOCCOCCNC 34a_100000228057_100000184674 [0,1,0,0,0,0|1,0,2]=4 4543 B10R0.71 C#CCOCCOCCNC 34a_100102657272_100010408581 [0,1,0,0,0,0|1,0,2]=4 4544 B10R0.71 C#CCOCCOCCNC 7a_106832991635_100010408581 [0,1,0,0,0,0|1,0,2]=4 4545 B10R0.71 C#CCOCCOCCN[13CH3] 2230a_100000056377_200025704644 [0,1,0,0,0,0|1,0,2]=4 4546 B10R0.71 C#CCOCCOCCN[13CH3] 34a_100000056377_200025704644 [0,1,0,0,0,0|1,0,2]=4 4547 B10R0.71 C#CCOCCOCCOC 34a_100000041007_200000210301 [0,1,0,0,0,0|1,0,2]=4 4548 B10R0.71 C#CCOCCOCCOC 34a_100000054580_100011201679 [0,1,0,0,0,0|1,0,2]=4 4549 B10R0.71 C#CCOCCOCCOC 34a_100000210237_100010402529 [0,1,0,0,0,0|1,0,2]=4 4550 B10R0.71 C#CCOCCOCCOC 34a_100000210247_100000695917 [0,1,0,0,0,0|1,0,2]=4 4551 B10R0.71 C#CCOCCOCCOC 34a_100011215163_100000184674 [0,1,0,0,0,0|1,0,2]=4 4552 B10R0.71 C#CCOCCOCCOC 34a_100138415774_100010408581 [0,1,0,0,0,0|1,0,2]=4 4553 B10R0.71 C#CCOCCOCCOC 7a_100000041007_200000210301 [0,1,0,0,0,0|1,0,2]=4 4554 B10R0.71 C#CCOCCOCCOC 7a_100000054580_100000233755 [0,1,0,0,0,0|1,0,2]=4 4555 B10R0.71 C#CCOCCOCCOC 7a_100011215163_100000038162 [0,1,0,0,0,0|1,0,2]=4 4556 B10R0.71 C#CCOCCOCCO[13CH3] 34a_100000041007_200025704644 [0,1,0,0,0,0|1,0,2]=4 4557 B10R0.71 C#CCOCCOCCO[13CH3] 7a_100000041007_200025704644 [0,1,0,0,0,0|1,0,2]=4 4558 B10R0.71 C#CCOCCOCCSC 34a_100000054580_100000212216 [0,1,0,0,0,0|1,0,2]=4 4559 B10R0.71 C#CCOCCOCCSC 34a_100000230434_100010402529 [0,1,0,0,0,0|1,0,2]=4 4560 B10R0.71 C#CCOCCOCCSC 62a_100010408581_200000210301 [0,1,0,0,0,0|1,0,2]=4 4561 B10R0.71 C#CCOCCOCCSC 62a_200000210301_100010408581 [0,1,0,0,0,0|1,0,2]=4 4562 B10R0.71 C#CCOCCOCCSC 7a_100000054580_100000212216 [0,1,0,0,0,0|1,0,2]=4 4563 B10R0.71 C#CCOCCOCCSC 7a_100000230434_100010402529 [0,1,0,0,0,0|1,0,2]=4 4564 B10R0.71 C#CCOCCOCCS[13CH3] 62a_100010408581_200025704644 [0,1,0,0,0,0|1,0,2]=4 4565 B10R0.71 C#CCOCCOCCS[13CH3] 62a_200025704644_100010408581 [0,1,0,0,0,0|1,0,2]=4 4566 B10R0.71 C#CCOCCSCCCC 34a_200000230436_100000184674 [0,1,0,0,0,0|0,1,2]=4 4567 B10R0.71 C#CCOCCSCCCC 62a_100000210211_100010402529 [0,1,0,0,0,0|0,1,2]=4 4568 B10R0.71 C#CCOCCSCCCC 62a_100010402529_100000210210 [0,1,0,0,0,0|0,1,2]=4 4569 B10R0.71 C#CCOCCSCCCC 7a_200000230436_100000038162 [0,1,0,0,0,0|0,1,2]=4 4570 B10R0.71 C#CCSCCCCCCC 62a_100000038162_100000210316 [0,1,0,0,0,0|1,0,2]=4 4571 B10R0.71 C#CCSCCOCCCC 62a_100000038162_100000743108 [0,1,0,0,0,0|0,0,2]=3 4572 B10R0.71 C#CCSCCOCCOC 62a_100000038162_100000695917 [0,1,0,0,0,0|1,0,2]=4 4573 B10R0.71 C/C=C/C=C/COCCCC 34a_100016283227_100000210210 [0,1,0,0,0,0|0,0,3]=4 4574 B10R0.71 C/C=C/CCOC/C=C\CC 34a_100016278192_100103147603 [0,1,0,0,0,0|0,0,3]=4 4575 B10R0.71 C/C=C/CCOCC#CCC 34a_100016278192_100009813939 [0,1,0,0,0,0|0,0,3]=4 4576 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [0,1,0,0,0,0|0,0,1]=2 4577 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [0,1,0,0,0,0|0,0,2]=3 4578 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [0,1,0,0,0,0|0,0,2]=3 4579 B10R0.71 C/C=C/CCOCCCOC 34a_100016278192_100000740836 [0,1,0,0,0,0|0,0,2]=3 4580 B10R0.71 C/C=C/CCOCCOCC 34a_100016278192_100000210147 [0,1,0,0,0,0|0,0,2]=3 4581 B10R0.71 C/C=C/CCOCCSCC 34a_100016278192_100000757381 [0,1,0,0,0,0|0,0,2]=3 4582 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [0,1,0,0,0,0|1,0,2]=4 4583 B10R0.71 C/C=C/CNCCCOCC 34a_100000210961_100102629194 [0,1,0,0,0,0|1,0,2]=4 4584 B10R0.71 C/C=C/CNCCOCCC 34a_100161115042_100102629194 [0,1,0,0,0,0|1,0,2]=4 4585 B10R0.71 C/C=C/COC/C=C/CCC 34a_100016278788_100102629194 [0,1,0,0,0,0|0,0,3]=4 4586 B10R0.71 C/C=C/COC/C=C/CCC 7a_100016278788_100102629194 [0,1,0,0,0,0|0,0,3]=4 4587 B10R0.71 C/C=C/COCC#CCCC 34a_100000034806_100102629194 [0,1,0,0,0,0|0,0,3]=4 4588 B10R0.71 C/C=C/COCC#CCCC 7a_100000034806_100102629194 [0,1,0,0,0,0|0,0,3]=4 4589 B10R0.71 C/C=C/COCC/C=C\CC 34a_100016270725_100015370543 [0,1,0,0,0,0|0,0,3]=4 4590 B10R0.71 C/C=C/COCC/C=C\CC 34a_100016288707_100102629194 [0,1,0,0,0,0|0,0,3]=4 4591 B10R0.71 C/C=C/COCC/C=C\CC 7a_100016288707_100102629194 [0,1,0,0,0,0|0,0,3]=4 4592 B10R0.71 C/C=C/COCCC#CCC 34a_100000036655_100102629194 [0,1,0,0,0,0|0,0,3]=4 4593 B10R0.71 C/C=C/COCCC#CCC 7a_100000036655_100102629194 [0,1,0,0,0,0|0,0,3]=4 4594 B10R0.71 C/C=C/COCCCCCBr 34a_100000746331_100102629194 [0,1,0,0,0,0|0,0,2]=3 4595 B10R0.71 C/C=C/COCCCCCBr 7a_100000746331_100102629194 [0,1,0,0,0,0|0,0,2]=3 4596 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [0,1,0,0,0,0|0,0,2]=3 4597 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [0,1,0,0,0,0|0,0,2]=3 4598 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [0,1,0,0,0,0|0,0,2]=3 4599 B10R0.71 C/C=C/COCCCCCCl 34a_100000746330_100102629194 [0,1,0,0,0,0|0,0,2]=3 4600 B10R0.71 C/C=C/COCCCCCCl 7a_100000746330_100102629194 [0,1,0,0,0,0|0,0,2]=3 4601 B10R0.71 C/C=C/COCCCCCF 34a_100016270725_100000729378 [0,1,0,0,0,0|0,0,2]=3 4602 B10R0.71 C/C=C/COCCCCCI 34a_200012148887_100102629194 [0,1,0,0,0,0|0,0,2]=3 4603 B10R0.71 C/C=C/COCCCCCI 7a_200012148887_100102629194 [0,1,0,0,0,0|0,0,2]=3 4604 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [0,1,0,0,0,0|0,0,2]=3 4605 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [0,1,0,0,0,0|0,0,2]=3 4606 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [0,1,0,0,0,0|0,0,2]=3 4607 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [0,1,0,0,0,0|0,0,2]=3 4608 B10R0.71 C/C=C/COCCCCSC 34a_100011217163_100102629194 [0,1,0,0,0,0|0,0,2]=3 4609 B10R0.71 C/C=C/COCCCCSC 7a_100011217163_100102629194 [0,1,0,0,0,0|0,0,2]=3 4610 B10R0.71 C/C=C/COCCCOCC 34a_100000757476_100102629194 [0,1,0,0,0,0|0,0,2]=3 4611 B10R0.71 C/C=C/COCCCOCC 34a_100016270725_100012232248 [0,1,0,0,0,0|0,0,2]=3 4612 B10R0.71 C/C=C/COCCCOCC 7a_100000757476_100102629194 [0,1,0,0,0,0|0,0,2]=3 4613 B10R0.71 C/C=C/COCCCSCC 34a_100011216438_100102629194 [0,1,0,0,0,0|0,0,2]=3 4614 B10R0.71 C/C=C/COCCCSCC 7a_100011216438_100102629194 [0,1,0,0,0,0|0,0,2]=3 4615 B10R0.71 C/C=C/COCCOCCBr 34a_100000692535_100102629194 [0,1,0,0,0,0|1,0,2]=4 4616 B10R0.71 C/C=C/COCCOCCBr 7a_100000692535_100102629194 [0,1,0,0,0,0|1,0,2]=4 4617 B10R0.71 C/C=C/COCCOCCC 34a_100000752267_100102629194 [0,1,0,0,0,0|0,0,2]=3 4618 B10R0.71 C/C=C/COCCOCCC 34a_100016270725_100011215938 [0,1,0,0,0,0|0,0,2]=3 4619 B10R0.71 C/C=C/COCCOCCC 7a_100000752267_100102629194 [0,1,0,0,0,0|0,0,2]=3 4620 B10R0.71 C/C=C/COCCOCCCl 34a_100011215305_100102629194 [0,1,0,0,0,0|1,0,2]=4 4621 B10R0.71 C/C=C/COCCOCCCl 7a_100011215305_100102629194 [0,1,0,0,0,0|1,0,2]=4 4622 B10R0.71 C/C=C/COCCOCCF 34a_200015357709_100102629194 [0,1,0,0,0,0|1,0,2]=4 4623 B10R0.71 C/C=C/COCCOCCF 7a_200015357709_100102629194 [0,1,0,0,0,0|1,0,2]=4 4624 B10R0.71 C/C=C/COCCOCCI 34a_100012149058_100102629194 [0,1,0,0,0,0|1,0,2]=4 4625 B10R0.71 C/C=C/COCCOCCI 7a_100012149058_100102629194 [0,1,0,0,0,0|1,0,2]=4 4626 B10R0.71 C/C=C/COCCOCCN 34a_100000211614_100102629194 [0,1,0,0,0,0|1,0,2]=4 4627 B10R0.71 C/C=C/COCCOCCO 34a_100016270725_100000692535 [0,1,0,0,0,0|1,0,2]=4 4628 B10R0.71 C/C=C/COCCSCCC 34a_200000230433_100102629194 [0,1,0,0,0,0|0,0,2]=3 4629 B10R0.71 C/C=C/COCCSCCC 7a_200000230433_100102629194 [0,1,0,0,0,0|0,0,2]=3 4630 B10R0.71 C/C=C/COCOCCCC 34a_100016270725_100011995733 [0,1,0,0,0,0|0,0,2]=3 4631 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [0,1,0,0,0,0|0,1,2]=4 4632 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [0,1,0,0,0,0|0,1,2]=4 4633 B10R0.71 C/C=C/CSCCCCCF 62a_100000729378_100102629194 [0,1,0,0,0,0|0,1,2]=4 4634 B10R0.71 C/C=C/CSCCCCCF 62a_100102629194_100000729378 [0,1,0,0,0,0|0,1,2]=4 4635 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [0,1,0,0,0,0|0,1,2]=4 4636 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [0,1,0,0,0,0|0,1,2]=4 4637 B10R0.71 C/C=C/CSCCCCOC 62a_100000730899_100102629194 [0,1,0,0,0,0|0,1,2]=4 4638 B10R0.71 C/C=C/CSCCCCOC 62a_100102629194_100000730899 [0,1,0,0,0,0|0,1,2]=4 4639 B10R0.71 C/C=C/CSCCCOCC 62a_100012232248_100102629194 [0,1,0,0,0,0|0,1,2]=4 4640 B10R0.71 C/C=C/CSCCCOCC 62a_100102629194_100012232248 [0,1,0,0,0,0|0,1,2]=4 4641 B10R0.71 C/C=C/CSCCOCCC 62a_100011215938_100102629194 [0,1,0,0,0,0|0,1,2]=4 4642 B10R0.71 C/C=C/CSCCOCCC 62a_100102629194_100011215938 [0,1,0,0,0,0|0,1,2]=4 4643 B10R0.71 C/C=C/CSCOCCCC 62a_100011995733_100102629194 [0,1,0,0,0,0|0,0,2]=3 4644 B10R0.71 C/C=C/CSCOCCCC 62a_100102629194_100011995733 [0,1,0,0,0,0|0,0,2]=3 4645 B10R0.71 C/C=C/CSCOCCOC 62a_100000231047_100102629194 [0,1,0,0,0,0|1,0,2]=4 4646 B10R0.71 C/C=C/CSCOCCOC 62a_100102629194_100000231047 [0,1,0,0,0,0|1,0,2]=4 4647 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [0,1,0,0,0,0|1,0,2]=4 4648 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [0,1,0,0,0,0|1,0,2]=4 4649 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [0,1,0,0,0,0|1,0,2]=4 4650 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [0,1,0,0,0,0|1,0,2]=4 4651 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [0,1,0,0,0,0|1,0,2]=4 4652 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [0,1,0,0,0,0|1,0,2]=4 4653 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [0,1,0,0,0,0|1,0,2]=4 4654 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [0,1,0,0,0,0|1,0,2]=4 4655 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [0,1,0,0,0,0|1,0,2]=4 4656 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [0,1,0,0,0,0|1,0,2]=4 4657 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [0,1,0,0,0,0|1,0,2]=4 4658 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [0,1,0,0,0,0|1,0,2]=4 4659 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [0,1,0,0,0,0|1,0,2]=4 4660 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [0,1,0,0,0,0|1,0,2]=4 4661 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [0,1,0,0,0,0|1,0,2]=4 4662 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [0,1,0,0,0,0|1,0,2]=4 4663 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [0,1,0,0,0,0|1,0,2]=4 4664 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [0,1,0,0,0,0|1,0,2]=4 4665 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [0,1,0,0,0,0|1,0,2]=4 4666 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [0,1,0,0,0,0|1,0,2]=4 4667 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [0,1,0,0,0,0|1,0,2]=4 4668 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [0,1,0,0,0,0|1,0,2]=4 4669 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [0,1,0,0,0,0|1,0,2]=4 4670 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [0,1,0,0,0,0|1,0,1]=3 4671 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [0,1,0,0,0,0|1,0,1]=3 4672 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [0,1,0,0,0,0|1,0,1]=3 4673 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [0,1,0,0,0,0|1,0,1]=3 4674 B10R0.71 C=CCCCCNCCCF 2230a_100000703577_100011934791 [0,1,0,0,0,0|2,0,1]=4 4675 B10R0.71 C=CCCCCNCCCF 2230a_100015189416_100011215482 [0,1,0,0,0,0|2,0,1]=4 4676 B10R0.71 C=CCCCCNCCCF 34a_100000703577_100011934791 [0,1,0,0,0,0|2,0,1]=4 4677 B10R0.71 C=CCCCCNCCCF 34a_100015189416_100011215482 [0,1,0,0,0,0|2,0,1]=4 4678 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [0,1,0,0,0,0|2,0,1]=4 4679 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [0,1,0,0,0,0|2,0,1]=4 4680 B10R0.71 C=CCCCCNCCOC 2230a_100000209980_100011215482 [0,1,0,0,0,0|2,0,1]=4 4681 B10R0.71 C=CCCCCNCCOC 2230a_100000703577_100011201679 [0,1,0,0,0,0|2,0,1]=4 4682 B10R0.71 C=CCCCCNCCOC 34a_100000703577_100011201679 [0,1,0,0,0,0|2,0,1]=4 4683 B10R0.71 C=CCCCCNCCSC 2230a_100000703577_100000751147 [0,1,0,0,0,0|2,0,1]=4 4684 B10R0.71 C=CCCCCNCCSC 2230a_100020590264_100011215482 [0,1,0,0,0,0|2,0,1]=4 4685 B10R0.71 C=CCCCCNCCSC 34a_100000703577_100000212216 [0,1,0,0,0,0|2,0,1]=4 4686 B10R0.71 C=CCCCCOC/C=C/C 34a_100000766645_100102629194 [0,1,0,0,0,0|0,0,3]=4 4687 B10R0.71 C=CCCCCOC/C=C/C 34a_100016270725_100011215482 [0,1,0,0,0,0|0,0,3]=4 4688 B10R0.71 C=CCCCCOC/C=C/C 7a_100000766645_100102629194 [0,1,0,0,0,0|0,0,3]=4 4689 B10R0.71 C=CCCCCOCC#CC 34a_100000761923_100011215482 [0,1,0,0,0,0|0,0,3]=4 4690 B10R0.71 C=CCCCCOCC#CC 34a_100000766645_100000748600 [0,1,0,0,0,0|0,0,3]=4 4691 B10R0.71 C=CCCCCOCC#CC 7a_100000766645_100000748600 [0,1,0,0,0,0|0,0,3]=4 4692 B10R0.71 C=CCCCCOCC=CC 34a_100000766645_100000070051 [0,1,0,0,0,0|0,0,3]=4 4693 B10R0.71 C=CCCCCOCC=CC 7a_100000766645_100000070051 [0,1,0,0,0,0|0,0,3]=4 4694 B10R0.71 C=CCCCCOCCC#N 7a_100000766645_100000184422 [0,1,0,0,0,0|1,0,2]=4 4695 B10R0.71 C=CCCCCOCCC=C 34a_100000766645_100000754431 [0,1,0,0,0,0|0,0,3]=4 4696 B10R0.71 C=CCCCCOCCC=C 34a_100011205117_100011215482 [0,1,0,0,0,0|0,0,3]=4 4697 B10R0.71 C=CCCCCOCCC=C 7a_100000766645_100000754431 [0,1,0,0,0,0|0,0,3]=4 4698 B10R0.71 C=CCCCCOCCCBr 34a_100011217188_100011215482 [0,1,0,0,0,0|1,0,1]=3 4699 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [0,1,0,0,0,0|0,0,1]=2 4700 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [0,1,0,0,0,0|0,0,1]=2 4701 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [0,1,0,0,0,0|0,0,1]=2 4702 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [0,1,0,0,0,0|0,0,1]=2 4703 B10R0.71 C=CCCCCOCCCCl 34a_100000230001_100011215482 [0,1,0,0,0,0|1,0,1]=3 4704 B10R0.71 C=CCCCCOCCCF 34a_100000759539_100011215482 [0,1,0,0,0,0|1,0,1]=3 4705 B10R0.71 C=CCCCCOCCCF 34a_100000766645_100011934791 [0,1,0,0,0,0|1,0,1]=3 4706 B10R0.71 C=CCCCCOCCCF 7a_100000766645_100011934791 [0,1,0,0,0,0|1,0,1]=3 4707 B10R0.71 C=CCCCCOCCCN 34a_100000182051_100011215482 [0,1,0,0,0,0|1,0,1]=3 4708 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [0,1,0,0,0,0|1,0,1]=3 4709 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [0,1,0,0,0,0|1,0,1]=3 4710 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [0,1,0,0,0,0|1,0,1]=3 4711 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [0,1,0,0,0,0|1,0,1]=3 4712 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [0,1,0,0,0,0|1,0,1]=3 4713 B10R0.71 C=CCCCCOCCON 34a_100000700252_100011215482 [0,1,0,0,0,0|2,0,1]=4 4714 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [0,1,0,0,0,0|1,0,1]=3 4715 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [0,1,0,0,0,0|1,0,1]=3 4716 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [0,1,0,0,0,0|1,0,1]=3 4717 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [0,1,0,0,0,0|1,0,1]=3 4718 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [0,1,0,0,0,0|0,1,1]=3 4719 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [0,1,0,0,0,0|0,1,1]=3 4720 B10R0.71 C=CCCCCSCCCF 62a_100011215482_100011934791 [0,1,0,0,0,0|1,1,1]=4 4721 B10R0.71 C=CCCCCSCCCF 62a_100011934791_100011215482 [0,1,0,0,0,0|1,1,1]=4 4722 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [0,1,0,0,0,0|1,1,1]=4 4723 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [0,1,0,0,0,0|1,1,1]=4 4724 B10R0.71 C=CCCCCSCCOC 62a_100000233755_100011215482 [0,1,0,0,0,0|1,1,1]=4 4725 B10R0.71 C=CCCCCSCCOC 62a_100011215482_100000233755 [0,1,0,0,0,0|1,1,1]=4 4726 B10R0.71 C=CCCCCSCCSC 62a_100000212216_100011215482 [0,1,0,0,0,0|1,1,1]=4 4727 B10R0.71 C=CCCCCSCCSC 62a_100011215482_100000751147 [0,1,0,0,0,0|1,1,1]=4 4728 B10R0.71 C=CCCCCSCOCC 62a_100000739092_100011215482 [0,1,0,0,0,0|1,1,1]=4 4729 B10R0.71 C=CCCCCSCOCC 62a_100011215482_100000739092 [0,1,0,0,0,0|1,1,1]=4 4730 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [0,1,0,0,0,0|1,0,1]=3 4731 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [0,1,0,0,0,0|1,0,1]=3 4732 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [0,1,0,0,0,0|1,0,1]=3 4733 B10R0.71 C=CCCCNCCCCF 2230a_100000700776_100000729493 [0,1,0,0,0,0|1,0,2]=4 4734 B10R0.71 C=CCCCNCCCCF 34a_100000700776_100000729493 [0,1,0,0,0,0|1,0,2]=4 4735 B10R0.71 C=CCCCNCCCCO 2230a_100000700776_100000210776 [0,1,0,0,0,0|1,0,2]=4 4736 B10R0.71 C=CCCCNCCCCO 2230a_100000750430_100011713584 [0,1,0,0,0,0|1,0,2]=4 4737 B10R0.71 C=CCCCNCCCCO 34a_100000700776_100011216708 [0,1,0,0,0,0|1,0,2]=4 4738 B10R0.71 C=CCCCNCCCCO 34a_100000750430_100000757094 [0,1,0,0,0,0|1,0,2]=4 4739 B10R0.71 C=CCCCNCCCOC 2230a_100000700776_100000740836 [0,1,0,0,0,0|1,0,2]=4 4740 B10R0.71 C=CCCCNCCCOC 34a_100000700776_100000740836 [0,1,0,0,0,0|1,0,2]=4 4741 B10R0.71 C=CCCCNCCCOC 34a_100150723488_100000757094 [0,1,0,0,0,0|1,0,2]=4 4742 B10R0.71 C=CCCCNCCCSC 2230a_100000749238_100011713584 [0,1,0,0,0,0|1,0,2]=4 4743 B10R0.71 C=CCCCNCCOCC 2230a_100000700776_100011215890 [0,1,0,0,0,0|1,0,2]=4 4744 B10R0.71 C=CCCCNCCOCC 2230a_102516460346_100011713584 [0,1,0,0,0,0|1,0,2]=4 4745 B10R0.71 C=CCCCNCCOCC 34a_100000700776_100000210147 [0,1,0,0,0,0|1,0,2]=4 4746 B10R0.71 C=CCCCNCCOCC 34a_102516460346_100000757094 [0,1,0,0,0,0|1,0,2]=4 4747 B10R0.71 C=CCCCNCCSCC 2230a_100000106463_100011713584 [0,1,0,0,0,0|1,0,2]=4 4748 B10R0.71 C=CCCCNCCSCC 2230a_100000700776_100000757381 [0,1,0,0,0,0|1,0,2]=4 4749 B10R0.71 C=CCCCNCCSCC 34a_100000700776_100000757381 [0,1,0,0,0,0|1,0,2]=4 4750 B10R0.71 C=CCCCOC/C=C\CC 34a_100000758997_100103147603 [0,1,0,0,0,0|0,0,3]=4 4751 B10R0.71 C=CCCCOC/C=C\CC 34a_100016268518_100000757094 [0,1,0,0,0,0|0,0,3]=4 4752 B10R0.71 C=CCCCOC/C=C\CC 7a_100000758997_100103147603 [0,1,0,0,0,0|0,0,3]=4 4753 B10R0.71 C=CCCCOCC#CCC 34a_100000032950_100000757094 [0,1,0,0,0,0|0,0,3]=4 4754 B10R0.71 C=CCCCOCC#CCC 34a_100000758997_100009813939 [0,1,0,0,0,0|0,0,3]=4 4755 B10R0.71 C=CCCCOCC#CCC 7a_100000758997_100009813939 [0,1,0,0,0,0|0,0,3]=4 4756 B10R0.71 C=CCCCOCC/C=C/C 34a_100016278192_100000757094 [0,1,0,0,0,0|0,0,3]=4 4757 B10R0.71 C=CCCCOCCC#CC 34a_100000750427_100000757094 [0,1,0,0,0,0|0,0,3]=4 4758 B10R0.71 C=CCCCOCCCC#N 7a_100000758997_100000687738 [0,1,0,0,0,0|0,0,3]=4 4759 B10R0.71 C=CCCCOCCCC=C 34a_100000758997_100000757094 [0,1,0,0,0,0|0,0,3]=4 4760 B10R0.71 C=CCCCOCCCC=C 7a_100000758997_100000757094 [0,1,0,0,0,0|0,0,3]=4 4761 B10R0.71 C=CCCCOCCCC=O 7a_100000758997_200011292268 [0,1,0,0,0,0|0,0,3]=4 4762 B10R0.71 C=CCCCOCCCCBr 34a_100011216708_100000757094 [0,1,0,0,0,0|0,0,2]=3 4763 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [0,1,0,0,0,0|0,0,1]=2 4764 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [0,1,0,0,0,0|0,0,1]=2 4765 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [0,1,0,0,0,0|0,0,1]=2 4766 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [0,1,0,0,0,0|0,0,1]=2 4767 B10R0.71 C=CCCCOCCCCCl 34a_100000210776_100000757094 [0,1,0,0,0,0|0,0,2]=3 4768 B10R0.71 C=CCCCOCCCCCl 7a_100000210776_100000757094 [0,1,0,0,0,0|0,0,2]=3 4769 B10R0.71 C=CCCCOCCCCF 34a_100000758997_100000729493 [0,1,0,0,0,0|0,0,2]=3 4770 B10R0.71 C=CCCCOCCCCF 34a_100011995726_100000757094 [0,1,0,0,0,0|0,0,2]=3 4771 B10R0.71 C=CCCCOCCCCF 7a_100000758997_100000729493 [0,1,0,0,0,0|0,0,2]=3 4772 B10R0.71 C=CCCCOCCCCF 7a_100011995726_100000757094 [0,1,0,0,0,0|0,0,2]=3 4773 B10R0.71 C=CCCCOCCCCI 34a_200012148704_100000757094 [0,1,0,0,0,0|0,0,2]=3 4774 B10R0.71 C=CCCCOCCCCN 34a_100000750430_100000757094 [0,1,0,0,0,0|0,0,2]=3 4775 B10R0.71 C=CCCCOCCCCO 34a_100000758997_100011216708 [0,1,0,0,0,0|0,0,2]=3 4776 B10R0.71 C=CCCCOCCCCO 7a_100000758997_100000210776 [0,1,0,0,0,0|0,0,2]=3 4777 B10R0.71 C=CCCCOCCCNC 34a_100000213112_100000757094 [0,1,0,0,0,0|0,0,2]=3 4778 B10R0.71 C=CCCCOCCCOC 34a_100000740835_100000757094 [0,1,0,0,0,0|0,0,2]=3 4779 B10R0.71 C=CCCCOCCCOC 34a_100000758997_100000740836 [0,1,0,0,0,0|0,0,2]=3 4780 B10R0.71 C=CCCCOCCCOC 7a_100000758997_100000740836 [0,1,0,0,0,0|0,0,2]=3 4781 B10R0.71 C=CCCCOCCCSC 34a_100000690336_100000757094 [0,1,0,0,0,0|0,0,2]=3 4782 B10R0.71 C=CCCCOCCCSC 7a_100000690336_100000757094 [0,1,0,0,0,0|0,0,2]=3 4783 B10R0.71 C=CCCCOCCOCC 34a_100000210136_100000757094 [0,1,0,0,0,0|0,0,2]=3 4784 B10R0.71 C=CCCCOCCOCC 34a_100000758997_100000210147 [0,1,0,0,0,0|0,0,2]=3 4785 B10R0.71 C=CCCCOCCOCC 7a_100000210136_100000757094 [0,1,0,0,0,0|0,0,2]=3 4786 B10R0.71 C=CCCCOCCOCC 7a_100000758997_100011215890 [0,1,0,0,0,0|0,0,2]=3 4787 B10R0.71 C=CCCCOCCSCC 34a_100000212035_100000757094 [0,1,0,0,0,0|0,0,2]=3 4788 B10R0.71 C=CCCCOCCSCC 34a_100000758997_100000757381 [0,1,0,0,0,0|0,0,2]=3 4789 B10R0.71 C=CCCCOCCSCC 7a_100000212035_100000757094 [0,1,0,0,0,0|0,0,2]=3 4790 B10R0.71 C=CCCCOCCSCC 7a_100000758997_100000757381 [0,1,0,0,0,0|0,0,2]=3 4791 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [0,1,0,0,0,0|0,1,1]=3 4792 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [0,1,0,0,0,0|0,1,1]=3 4793 B10R0.71 C=CCCCSCCCCF 62a_100000729493_100000757094 [0,1,0,0,0,0|0,1,2]=4 4794 B10R0.71 C=CCCCSCCCCF 62a_100011713584_100000729493 [0,1,0,0,0,0|0,1,2]=4 4795 B10R0.71 C=CCCCSCCCCO 62a_100000210776_100000757094 [0,1,0,0,0,0|0,1,2]=4 4796 B10R0.71 C=CCCCSCCCCO 62a_100011713584_100000210776 [0,1,0,0,0,0|0,1,2]=4 4797 B10R0.71 C=CCCCSCCCOC 62a_100000709357_100000757094 [0,1,0,0,0,0|0,1,2]=4 4798 B10R0.71 C=CCCCSCCCOC 62a_100011713584_100000709357 [0,1,0,0,0,0|0,1,2]=4 4799 B10R0.71 C=CCCCSCCOCC 62a_100000210147_100000757094 [0,1,0,0,0,0|0,1,2]=4 4800 B10R0.71 C=CCCCSCCOCC 62a_100011713584_100011215890 [0,1,0,0,0,0|0,1,2]=4 4801 B10R0.71 C=CCCCSCCSCC 62a_100000757381_100000757094 [0,1,0,0,0,0|0,1,2]=4 4802 B10R0.71 C=CCCCSCCSCC 62a_100011713584_100000757381 [0,1,0,0,0,0|0,1,2]=4 4803 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [0,1,0,0,0,0|1,0,2]=4 4804 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [0,1,0,0,0,0|1,0,2]=4 4805 B10R0.71 C=CCCNCCCCCF 2230a_100015191253_100000729378 [0,1,0,0,0,0|1,0,2]=4 4806 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [0,1,0,0,0,0|1,0,2]=4 4807 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [0,1,0,0,0,0|1,0,2]=4 4808 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [0,1,0,0,0,0|1,0,2]=4 4809 B10R0.71 C=CCCNCCCCOC 2230a_100015191253_100000730899 [0,1,0,0,0,0|1,0,2]=4 4810 B10R0.71 C=CCCNCCCOCC 2230a_100000210961_100000754431 [0,1,0,0,0,0|1,0,2]=4 4811 B10R0.71 C=CCCNCCCOCC 2230a_100015191253_100012232248 [0,1,0,0,0,0|1,0,2]=4 4812 B10R0.71 C=CCCNCCCOCC 34a_100000210961_100000754431 [0,1,0,0,0,0|1,0,2]=4 4813 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [0,1,0,0,0,0|1,0,2]=4 4814 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [0,1,0,0,0,0|1,0,2]=4 4815 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [0,1,0,0,0,0|1,0,2]=4 4816 B10R0.71 C=CCCNCCSCCC 2230a_100020603323_100000754431 [0,1,0,0,0,0|1,0,2]=4 4817 B10R0.71 C=CCCNCOCCCC 2230a_100015191253_100011995733 [0,1,0,0,0,0|0,0,2]=3 4818 B10R0.71 C=CCCNCOCCOC 2230a_100015191253_100000231047 [0,1,0,0,0,0|1,0,2]=4 4819 B10R0.71 C=CCCOC/C=C/CCC 34a_100016278788_100000754431 [0,1,0,0,0,0|0,0,3]=4 4820 B10R0.71 C=CCCOC/C=C/CCC 7a_100016278788_100000754431 [0,1,0,0,0,0|0,0,3]=4 4821 B10R0.71 C=CCCOCC#CCCC 34a_100000034806_100000754431 [0,1,0,0,0,0|0,0,3]=4 4822 B10R0.71 C=CCCOCC#CCCC 7a_100000034806_100000754431 [0,1,0,0,0,0|0,0,3]=4 4823 B10R0.71 C=CCCOCC/C=C\CC 34a_100011205117_100015370543 [0,1,0,0,0,0|0,0,3]=4 4824 B10R0.71 C=CCCOCC/C=C\CC 34a_100016288707_100000754431 [0,1,0,0,0,0|0,0,3]=4 4825 B10R0.71 C=CCCOCC/C=C\CC 7a_100016288707_100000754431 [0,1,0,0,0,0|0,0,3]=4 4826 B10R0.71 C=CCCOCCC#CCC 34a_100000036655_100000754431 [0,1,0,0,0,0|0,0,3]=4 4827 B10R0.71 C=CCCOCCC#CCC 7a_100000036655_100000754431 [0,1,0,0,0,0|0,0,3]=4 4828 B10R0.71 C=CCCOCCCC=CC 34a_100020645299_100000754431 [0,1,0,0,0,0|0,0,3]=4 4829 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [0,1,0,0,0,0|0,0,2]=3 4830 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [0,1,0,0,0,0|0,0,2]=3 4831 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [0,1,0,0,0,0|0,0,2]=3 4832 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [0,1,0,0,0,0|0,0,2]=3 4833 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [0,1,0,0,0,0|0,0,2]=3 4834 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [0,1,0,0,0,0|0,0,2]=3 4835 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [0,1,0,0,0,0|0,0,2]=3 4836 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [0,1,0,0,0,0|0,0,2]=3 4837 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [0,1,0,0,0,0|0,0,2]=3 4838 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [0,1,0,0,0,0|0,0,2]=3 4839 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [0,1,0,0,0,0|0,0,2]=3 4840 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [0,1,0,0,0,0|0,0,2]=3 4841 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [0,1,0,0,0,0|0,0,2]=3 4842 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [0,1,0,0,0,0|0,0,2]=3 4843 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [0,1,0,0,0,0|0,0,2]=3 4844 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [0,1,0,0,0,0|0,0,2]=3 4845 B10R0.71 C=CCCOCCCOCC 34a_100000757476_100000754431 [0,1,0,0,0,0|0,0,2]=3 4846 B10R0.71 C=CCCOCCCOCC 34a_100011205117_100012232248 [0,1,0,0,0,0|0,0,2]=3 4847 B10R0.71 C=CCCOCCCOCC 7a_100000757476_100000754431 [0,1,0,0,0,0|0,0,2]=3 4848 B10R0.71 C=CCCOCCCSCC 34a_100011216438_100000754431 [0,1,0,0,0,0|0,0,2]=3 4849 B10R0.71 C=CCCOCCCSCC 7a_100011216438_100000754431 [0,1,0,0,0,0|0,0,2]=3 4850 B10R0.71 C=CCCOCCOCCBr 34a_100000692535_100000754431 [0,1,0,0,0,0|1,0,2]=4 4851 B10R0.71 C=CCCOCCOCCBr 7a_100000692535_100000754431 [0,1,0,0,0,0|1,0,2]=4 4852 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [0,1,0,0,0,0|0,0,2]=3 4853 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [0,1,0,0,0,0|0,0,2]=3 4854 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [0,1,0,0,0,0|0,0,2]=3 4855 B10R0.71 C=CCCOCCOCCCl 34a_100011215305_100000754431 [0,1,0,0,0,0|1,0,2]=4 4856 B10R0.71 C=CCCOCCOCCCl 7a_100011215305_100000754431 [0,1,0,0,0,0|1,0,2]=4 4857 B10R0.71 C=CCCOCCOCCF 34a_200015357709_100000754431 [0,1,0,0,0,0|1,0,2]=4 4858 B10R0.71 C=CCCOCCOCCF 7a_200015357709_100000754431 [0,1,0,0,0,0|1,0,2]=4 4859 B10R0.71 C=CCCOCCOCCI 34a_100012149058_100000754431 [0,1,0,0,0,0|1,0,2]=4 4860 B10R0.71 C=CCCOCCOCCI 7a_100012149058_100000754431 [0,1,0,0,0,0|1,0,2]=4 4861 B10R0.71 C=CCCOCCOCCN 34a_100000211614_100000754431 [0,1,0,0,0,0|1,0,2]=4 4862 B10R0.71 C=CCCOCCOCCO 34a_100011205117_100000692535 [0,1,0,0,0,0|1,0,2]=4 4863 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [0,1,0,0,0,0|0,0,2]=3 4864 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [0,1,0,0,0,0|0,0,2]=3 4865 B10R0.71 C=CCCOCOCCCC 34a_100011205117_100011995733 [0,1,0,0,0,0|0,0,2]=3 4866 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [0,1,0,0,0,0|0,1,2]=4 4867 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [0,1,0,0,0,0|0,1,2]=4 4868 B10R0.71 C=CCCSCCCCCF 62a_100000729378_100000754431 [0,1,0,0,0,0|0,1,2]=4 4869 B10R0.71 C=CCCSCCCCCF 62a_100000754431_100000729378 [0,1,0,0,0,0|0,1,2]=4 4870 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [0,1,0,0,0,0|0,1,2]=4 4871 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [0,1,0,0,0,0|0,1,2]=4 4872 B10R0.71 C=CCCSCCCCOC 62a_100000730899_100000754431 [0,1,0,0,0,0|0,1,2]=4 4873 B10R0.71 C=CCCSCCCCOC 62a_100000754431_100000730899 [0,1,0,0,0,0|0,1,2]=4 4874 B10R0.71 C=CCCSCCCOCC 62a_100000754431_100012232248 [0,1,0,0,0,0|0,1,2]=4 4875 B10R0.71 C=CCCSCCCOCC 62a_100012232248_100000754431 [0,1,0,0,0,0|0,1,2]=4 4876 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [0,1,0,0,0,0|0,1,2]=4 4877 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [0,1,0,0,0,0|0,1,2]=4 4878 B10R0.71 C=CCCSCOCCCC 62a_100000754431_100011995733 [0,1,0,0,0,0|0,0,2]=3 4879 B10R0.71 C=CCCSCOCCCC 62a_100011995733_100000754431 [0,1,0,0,0,0|0,0,2]=3 4880 B10R0.71 C=CCCSCOCCOC 62a_100000231047_100000754431 [0,1,0,0,0,0|1,0,2]=4 4881 B10R0.71 C=CCCSCOCCOC 62a_100000754431_100000231047 [0,1,0,0,0,0|1,0,2]=4 4882 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [0,1,0,0,0,0|1,0,2]=4 4883 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [0,1,0,0,0,0|1,0,2]=4 4884 B10R0.71 C=CCNCCOCCCC 2230a_100020586998_100000743108 [0,1,0,0,0,0|0,0,2]=3 4885 B10R0.71 C=CCNCCOCCOC 2230a_100000745349_100000210623 [0,1,0,0,0,0|1,0,2]=4 4886 B10R0.71 C=CCNCCOCCOC 2230a_100020586998_100000695917 [0,1,0,0,0,0|1,0,2]=4 4887 B10R0.71 C=CCNCCOCCOC 34a_100000745349_100015514636 [0,1,0,0,0,0|1,0,2]=4 4888 B10R0.71 C=CCNCCSCCCC 2230a_100025743550_100000210623 [0,1,0,0,0,0|0,1,2]=4 4889 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [0,1,0,0,0,0|1,0,2]=4 4890 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [0,1,0,0,0,0|1,0,2]=4 4891 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [0,1,0,0,0,0|1,0,2]=4 4892 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [0,1,0,0,0,0|0,0,2]=3 4893 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [0,1,0,0,0,0|0,0,2]=3 4894 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [0,1,0,0,0,0|0,0,2]=3 4895 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [0,1,0,0,0,0|0,0,2]=3 4896 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [0,1,0,0,0,0|0,0,2]=3 4897 B10R0.71 C=CCOCCOCCCF 34a_100000037705_100011934791 [0,1,0,0,0,0|1,0,2]=4 4898 B10R0.71 C=CCOCCOCCCF 7a_100000037705_100011934791 [0,1,0,0,0,0|1,0,2]=4 4899 B10R0.71 C=CCOCCOCCCO 34a_100000037705_100000230001 [0,1,0,0,0,0|1,0,2]=4 4900 B10R0.71 C=CCOCCOCCCO 7a_100000037705_100011215043 [0,1,0,0,0,0|1,0,2]=4 4901 B10R0.71 C=CCOCCOCCNC 34a_100000228057_100015514636 [0,1,0,0,0,0|1,0,2]=4 4902 B10R0.71 C=CCOCCOCCOC 34a_100000037705_100011201679 [0,1,0,0,0,0|1,0,2]=4 4903 B10R0.71 C=CCOCCOCCOC 34a_100000065479_200000210301 [0,1,0,0,0,0|1,0,2]=4 4904 B10R0.71 C=CCOCCOCCOC 34a_100011215163_100015514636 [0,1,0,0,0,0|1,0,2]=4 4905 B10R0.71 C=CCOCCOCCOC 34a_200000210373_100000695917 [0,1,0,0,0,0|1,0,2]=4 4906 B10R0.71 C=CCOCCOCCOC 7a_100000037705_100000233755 [0,1,0,0,0,0|1,0,2]=4 4907 B10R0.71 C=CCOCCOCCOC 7a_100000065479_200000210301 [0,1,0,0,0,0|1,0,2]=4 4908 B10R0.71 C=CCOCCOCCOC 7a_100011215163_100015514636 [0,1,0,0,0,0|1,0,2]=4 4909 B10R0.71 C=CCOCCOCCO[13CH3] 34a_100000065479_200025704644 [0,1,0,0,0,0|1,0,2]=4 4910 B10R0.71 C=CCOCCOCCO[13CH3] 7a_100000065479_200025704644 [0,1,0,0,0,0|1,0,2]=4 4911 B10R0.71 C=CCOCCOCCSC 34a_100000037705_100000212216 [0,1,0,0,0,0|1,0,2]=4 4912 B10R0.71 C=CCOCCOCCSC 7a_100000037705_100000212216 [0,1,0,0,0,0|1,0,2]=4 4913 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [0,1,0,0,0,0|0,1,2]=4 4914 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [0,1,0,0,0,0|0,1,2]=4 4915 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [0,1,0,0,0,0|1,0,2]=4 4916 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [0,1,0,0,0,0|1,0,2]=4 4917 B10R0.71 C=CCSCCOCCCC 62a_100000210623_100000743108 [0,1,0,0,0,0|0,0,2]=3 4918 B10R0.71 C=CCSCCOCCCC 62a_100000743108_100000210623 [0,1,0,0,0,0|0,0,2]=3 4919 B10R0.71 C=CCSCCOCCOC 62a_100000210623_100000695917 [0,1,0,0,0,0|1,0,2]=4 4920 B10R0.71 C=CCSCCOCCOC 62a_100000695917_100000210623 [0,1,0,0,0,0|1,0,2]=4 4921 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [0,1,0,0,0,0|1,0,2]=4 4922 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [0,1,0,0,0,0|1,0,2]=4 4923 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [0,1,0,0,0,0|1,0,2]=4 4924 B10R0.71 C=COCCOCCCCBr 34a_100011216708_100000039644 [0,1,0,0,0,0|1,0,2]=4 4925 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [0,1,0,0,0,0|0,0,2]=3 4926 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [0,1,0,0,0,0|0,0,2]=3 4927 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [0,1,0,0,0,0|0,0,2]=3 4928 B10R0.71 C=COCCOCCCCCl 34a_100000210776_100000039644 [0,1,0,0,0,0|1,0,2]=4 4929 B10R0.71 C=COCCOCCCCCl 7a_100000210776_100000039644 [0,1,0,0,0,0|1,0,2]=4 4930 B10R0.71 C=COCCOCCCCF 34a_100000033082_100000729493 [0,1,0,0,0,0|1,0,2]=4 4931 B10R0.71 C=COCCOCCCCF 34a_100011995726_100000039644 [0,1,0,0,0,0|1,0,2]=4 4932 B10R0.71 C=COCCOCCCCF 7a_100011995726_100000039644 [0,1,0,0,0,0|1,0,2]=4 4933 B10R0.71 C=COCCOCCCCI 34a_200012148704_100000039644 [0,1,0,0,0,0|1,0,2]=4 4934 B10R0.71 C=COCCOCCCCN 34a_100000750430_100000039644 [0,1,0,0,0,0|1,0,2]=4 4935 B10R0.71 C=COCCOCCCCO 34a_100000033082_100011216708 [0,1,0,0,0,0|1,0,2]=4 4936 B10R0.71 C=COCCOCCCNC 34a_100000213112_100000039644 [0,1,0,0,0,0|1,0,2]=4 4937 B10R0.71 C=COCCOCCCOC 34a_100000033082_100000740836 [0,1,0,0,0,0|1,0,2]=4 4938 B10R0.71 C=COCCOCCCOC 34a_100000740835_100000039644 [0,1,0,0,0,0|1,0,2]=4 4939 B10R0.71 C=COCCOCCCSC 34a_100000690336_100000039644 [0,1,0,0,0,0|1,0,2]=4 4940 B10R0.71 C=COCCOCCCSC 7a_100000690336_100000039644 [0,1,0,0,0,0|1,0,2]=4 4941 B10R0.71 C=COCCOCCOCC 34a_100000033082_100000210147 [0,1,0,0,0,0|1,0,2]=4 4942 B10R0.71 C=COCCOCCOCC 34a_100000039918_100000210202 [0,1,0,0,0,0|1,0,2]=4 4943 B10R0.71 C=COCCOCCOCC 34a_100000210136_100000039644 [0,1,0,0,0,0|1,0,2]=4 4944 B10R0.71 C=COCCOCCOCC 7a_100000039918_100000210202 [0,1,0,0,0,0|1,0,2]=4 4945 B10R0.71 C=COCCOCCOCC 7a_100000210136_100000039644 [0,1,0,0,0,0|1,0,2]=4 4946 B10R0.71 C=COCCOCCSCC 34a_100000033082_100000757381 [0,1,0,0,0,0|1,0,2]=4 4947 B10R0.71 C=COCCOCCSCC 34a_100000212035_100000039644 [0,1,0,0,0,0|1,0,2]=4 4948 B10R0.71 C=COCCOCCSCC 7a_100000212035_100000039644 [0,1,0,0,0,0|1,0,2]=4 4949 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [0,1,0,0,0,0|0,1,2]=4 4950 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [0,1,0,0,0,0|0,1,2]=4 4951 B10R0.71 CC#CCCOC/C=C\CC 34a_100000750427_100103147603 [0,1,0,0,0,0|0,0,3]=4 4952 B10R0.71 CC#CCCOCC#CCC 34a_100000750427_100009813939 [0,1,0,0,0,0|0,0,3]=4 4953 B10R0.71 CC#CCCOCCCCC 34a_100000750427_100000718602 [0,1,0,0,0,0|0,0,1]=2 4954 B10R0.71 CC#CCCOCCCCF 34a_100000750427_100000729493 [0,1,0,0,0,0|0,0,2]=3 4955 B10R0.71 CC#CCCOCCCCO 34a_100000750427_100011216708 [0,1,0,0,0,0|0,0,2]=3 4956 B10R0.71 CC#CCCOCCCOC 34a_100000750427_100000740836 [0,1,0,0,0,0|0,0,2]=3 4957 B10R0.71 CC#CCCOCCOCC 34a_100000750427_100000210147 [0,1,0,0,0,0|0,0,2]=3 4958 B10R0.71 CC#CCCOCCSCC 34a_100000750427_100000757381 [0,1,0,0,0,0|0,0,2]=3 4959 B10R0.71 CC#CCNCCCCCC 2230a_100000210581_100000748600 [0,1,0,0,0,0|1,0,2]=4 4960 B10R0.71 CC#CCNCCCCCC 2230a_100000685387_100000210314 [0,1,0,0,0,0|1,0,2]=4 4961 B10R0.71 CC#CCNCCCCCC 34a_100000685387_100000210314 [0,1,0,0,0,0|1,0,2]=4 4962 B10R0.71 CC#CCNCCCCCF 2230a_100000685387_100000729378 [0,1,0,0,0,0|1,0,2]=4 4963 B10R0.71 CC#CCNCCCCCF 34a_100000685387_100000729378 [0,1,0,0,0,0|1,0,2]=4 4964 B10R0.71 CC#CCNCCCCCO 2230a_100000685387_100000746330 [0,1,0,0,0,0|1,0,2]=4 4965 B10R0.71 CC#CCNCCCCCO 2230a_100000762737_100000748600 [0,1,0,0,0,0|1,0,2]=4 4966 B10R0.71 CC#CCNCCCCCO 34a_100000685387_100000746330 [0,1,0,0,0,0|1,0,2]=4 4967 B10R0.71 CC#CCNCCCCCO 34a_100000762737_100000748600 [0,1,0,0,0,0|1,0,2]=4 4968 B10R0.71 CC#CCNCCCCOC 2230a_100000685387_100000730899 [0,1,0,0,0,0|1,0,2]=4 4969 B10R0.71 CC#CCNCCCCOC 34a_100000685387_100000755781 [0,1,0,0,0,0|1,0,2]=4 4970 B10R0.71 CC#CCNCCCOCC 2230a_100000210961_100000748600 [0,1,0,0,0,0|1,0,2]=4 4971 B10R0.71 CC#CCNCCCOCC 2230a_100000685387_100012232248 [0,1,0,0,0,0|1,0,2]=4 4972 B10R0.71 CC#CCNCCCOCC 34a_100000210961_100000748600 [0,1,0,0,0,0|1,0,2]=4 4973 B10R0.71 CC#CCNCCCOCC 34a_100000685387_100012232248 [0,1,0,0,0,0|1,0,2]=4 4974 B10R0.71 CC#CCNCCOCCC 2230a_100000685387_100011215938 [0,1,0,0,0,0|1,0,2]=4 4975 B10R0.71 CC#CCNCCOCCC 2230a_100161115042_100000748600 [0,1,0,0,0,0|1,0,2]=4 4976 B10R0.71 CC#CCNCCOCCC 34a_100000685387_100011215938 [0,1,0,0,0,0|1,0,2]=4 4977 B10R0.71 CC#CCNCCOCCC 34a_100161115042_100000748600 [0,1,0,0,0,0|1,0,2]=4 4978 B10R0.71 CC#CCNCCSCCC 2230a_100020603323_100000748600 [0,1,0,0,0,0|1,0,2]=4 4979 B10R0.71 CC#CCNCOCCCC 2230a_100000685387_100011995733 [0,1,0,0,0,0|0,0,2]=3 4980 B10R0.71 CC#CCNCOCCCC 34a_100000685387_100011995733 [0,1,0,0,0,0|0,0,2]=3 4981 B10R0.71 CC#CCNCOCCOC 2230a_100000685387_100000231047 [0,1,0,0,0,0|1,0,2]=4 4982 B10R0.71 CC#CCOC/C=C/CCC 34a_100016278788_100000748600 [0,1,0,0,0,0|0,0,3]=4 4983 B10R0.71 CC#CCOC/C=C/CCC 7a_100016278788_100000748600 [0,1,0,0,0,0|0,0,3]=4 4984 B10R0.71 CC#CCOCC#CCCC 34a_100000034806_100000748600 [0,1,0,0,0,0|0,0,3]=4 4985 B10R0.71 CC#CCOCC#CCCC 7a_100000034806_100000748600 [0,1,0,0,0,0|0,0,3]=4 4986 B10R0.71 CC#CCOCC/C=C\CC 34a_100000761923_100015370543 [0,1,0,0,0,0|0,0,3]=4 4987 B10R0.71 CC#CCOCC/C=C\CC 34a_100016288707_100000748600 [0,1,0,0,0,0|0,0,3]=4 4988 B10R0.71 CC#CCOCC/C=C\CC 7a_100016288707_100000748600 [0,1,0,0,0,0|0,0,3]=4 4989 B10R0.71 CC#CCOCCC#CCC 34a_100000036655_100000748600 [0,1,0,0,0,0|0,0,3]=4 4990 B10R0.71 CC#CCOCCC#CCC 7a_100000036655_100000748600 [0,1,0,0,0,0|0,0,3]=4 4991 B10R0.71 CC#CCOCCCC=CC 34a_100020645299_100000748600 [0,1,0,0,0,0|0,0,3]=4 4992 B10R0.71 CC#CCOCCCCCBr 34a_100000746331_100000748600 [0,1,0,0,0,0|0,0,2]=3 4993 B10R0.71 CC#CCOCCCCCBr 7a_100000746331_100000748600 [0,1,0,0,0,0|0,0,2]=3 4994 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [0,1,0,0,0,0|0,0,2]=3 4995 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [0,1,0,0,0,0|0,0,2]=3 4996 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [0,1,0,0,0,0|0,0,2]=3 4997 B10R0.71 CC#CCOCCCCCCl 34a_100000746330_100000748600 [0,1,0,0,0,0|0,0,2]=3 4998 B10R0.71 CC#CCOCCCCCCl 7a_100000746330_100000748600 [0,1,0,0,0,0|0,0,2]=3 4999 B10R0.71 CC#CCOCCCCCF 34a_100000761923_100000729378 [0,1,0,0,0,0|0,0,2]=3 5000 B10R0.71 CC#CCOCCCCCI 34a_200012148887_100000748600 [0,1,0,0,0,0|0,0,2]=3 5001 B10R0.71 CC#CCOCCCCCI 7a_200012148887_100000748600 [0,1,0,0,0,0|0,0,2]=3 5002 B10R0.71 CC#CCOCCCCCN 34a_100000762737_100000748600 [0,1,0,0,0,0|0,0,2]=3 5003 B10R0.71 CC#CCOCCCCCO 34a_100000761923_100000746330 [0,1,0,0,0,0|0,0,2]=3 5004 B10R0.71 CC#CCOCCCCOC 34a_100000740925_100000748600 [0,1,0,0,0,0|0,0,2]=3 5005 B10R0.71 CC#CCOCCCCOC 34a_100000761923_100000755781 [0,1,0,0,0,0|0,0,2]=3 5006 B10R0.71 CC#CCOCCCCSC 34a_100011217163_100000748600 [0,1,0,0,0,0|0,0,2]=3 5007 B10R0.71 CC#CCOCCCCSC 7a_100011217163_100000748600 [0,1,0,0,0,0|0,0,2]=3 5008 B10R0.71 CC#CCOCCCOCC 34a_100000757476_100000748600 [0,1,0,0,0,0|0,0,2]=3 5009 B10R0.71 CC#CCOCCCOCC 34a_100000761923_100012232248 [0,1,0,0,0,0|0,0,2]=3 5010 B10R0.71 CC#CCOCCCOCC 7a_100000757476_100000748600 [0,1,0,0,0,0|0,0,2]=3 5011 B10R0.71 CC#CCOCCCSCC 34a_100011216438_100000748600 [0,1,0,0,0,0|0,0,2]=3 5012 B10R0.71 CC#CCOCCCSCC 7a_100011216438_100000748600 [0,1,0,0,0,0|0,0,2]=3 5013 B10R0.71 CC#CCOCCOCCBr 34a_100000692535_100000748600 [0,1,0,0,0,0|1,0,2]=4 5014 B10R0.71 CC#CCOCCOCCBr 7a_100000692535_100000748600 [0,1,0,0,0,0|1,0,2]=4 5015 B10R0.71 CC#CCOCCOCCC 34a_100000752267_100000748600 [0,1,0,0,0,0|0,0,2]=3 5016 B10R0.71 CC#CCOCCOCCC 34a_100000761923_100011215938 [0,1,0,0,0,0|0,0,2]=3 5017 B10R0.71 CC#CCOCCOCCC 7a_100000752267_100000748600 [0,1,0,0,0,0|0,0,2]=3 5018 B10R0.71 CC#CCOCCOCCCl 34a_100011215305_100000748600 [0,1,0,0,0,0|1,0,2]=4 5019 B10R0.71 CC#CCOCCOCCCl 7a_100011215305_100000748600 [0,1,0,0,0,0|1,0,2]=4 5020 B10R0.71 CC#CCOCCOCCF 34a_200015357709_100000748600 [0,1,0,0,0,0|1,0,2]=4 5021 B10R0.71 CC#CCOCCOCCF 7a_200015357709_100000748600 [0,1,0,0,0,0|1,0,2]=4 5022 B10R0.71 CC#CCOCCOCCI 34a_100012149058_100000748600 [0,1,0,0,0,0|1,0,2]=4 5023 B10R0.71 CC#CCOCCOCCI 7a_100012149058_100000748600 [0,1,0,0,0,0|1,0,2]=4 5024 B10R0.71 CC#CCOCCOCCN 34a_100000211614_100000748600 [0,1,0,0,0,0|1,0,2]=4 5025 B10R0.71 CC#CCOCCOCCO 34a_100000761923_100000692535 [0,1,0,0,0,0|1,0,2]=4 5026 B10R0.71 CC#CCOCCSCCC 34a_200000230433_100000748600 [0,1,0,0,0,0|0,0,2]=3 5027 B10R0.71 CC#CCOCCSCCC 7a_200000230433_100000748600 [0,1,0,0,0,0|0,0,2]=3 5028 B10R0.71 CC#CCOCOCCCC 34a_100000761923_100011995733 [0,1,0,0,0,0|0,0,2]=3 5029 B10R0.71 CC#CCSCCCCCC 62a_100000210314_100000748600 [0,1,0,0,0,0|0,1,2]=4 5030 B10R0.71 CC#CCSCCCCCC 62a_100000748600_100000210757 [0,1,0,0,0,0|0,1,2]=4 5031 B10R0.71 CC#CCSCCCCCF 62a_100000729378_100000748600 [0,1,0,0,0,0|0,1,2]=4 5032 B10R0.71 CC#CCSCCCCCF 62a_100000748600_100000729378 [0,1,0,0,0,0|0,1,2]=4 5033 B10R0.71 CC#CCSCCCCCO 62a_100000746330_100000748600 [0,1,0,0,0,0|0,1,2]=4 5034 B10R0.71 CC#CCSCCCCCO 62a_100000748600_100000746330 [0,1,0,0,0,0|0,1,2]=4 5035 B10R0.71 CC#CCSCCCCOC 62a_100000730899_100000748600 [0,1,0,0,0,0|0,1,2]=4 5036 B10R0.71 CC#CCSCCCCOC 62a_100000748600_100000730899 [0,1,0,0,0,0|0,1,2]=4 5037 B10R0.71 CC#CCSCCCOCC 62a_100000748600_100012232248 [0,1,0,0,0,0|0,1,2]=4 5038 B10R0.71 CC#CCSCCCOCC 62a_100012232248_100000748600 [0,1,0,0,0,0|0,1,2]=4 5039 B10R0.71 CC#CCSCCOCCC 62a_100000748600_100011215938 [0,1,0,0,0,0|0,1,2]=4 5040 B10R0.71 CC#CCSCCOCCC 62a_100011215938_100000748600 [0,1,0,0,0,0|0,1,2]=4 5041 B10R0.71 CC#CCSCOCCCC 62a_100000748600_100011995733 [0,1,0,0,0,0|0,0,2]=3 5042 B10R0.71 CC#CCSCOCCCC 62a_100011995733_100000748600 [0,1,0,0,0,0|0,0,2]=3 5043 B10R0.71 CC#CCSCOCCOC 62a_100000231047_100000748600 [0,1,0,0,0,0|1,0,2]=4 5044 B10R0.71 CC#CCSCOCCOC 62a_100000748600_100000231047 [0,1,0,0,0,0|1,0,2]=4 5045 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [0,1,0,0,0,0|1,0,2]=4 5046 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [0,1,0,0,0,0|1,0,2]=4 5047 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [0,1,0,0,0,0|1,0,2]=4 5048 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [0,1,0,0,0,0|1,0,2]=4 5049 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [0,1,0,0,0,0|1,0,2]=4 5050 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [0,1,0,0,0,0|1,0,2]=4 5051 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [0,1,0,0,0,0|1,0,2]=4 5052 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [0,1,0,0,0,0|1,0,2]=4 5053 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [0,1,0,0,0,0|1,0,2]=4 5054 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [0,1,0,0,0,0|1,0,1]=3 5055 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [0,1,0,0,0,0|1,0,1]=3 5056 B10R0.71 CC/C=C\CCNCCCF 2230a_100015189416_100015370543 [0,1,0,0,0,0|2,0,1]=4 5057 B10R0.71 CC/C=C\CCNCCCF 34a_100015189416_100015370543 [0,1,0,0,0,0|2,0,1]=4 5058 B10R0.71 CC/C=C\CCNCCOC 2230a_100000209980_100015370543 [0,1,0,0,0,0|2,0,1]=4 5059 B10R0.71 CC/C=C\CCNCCSC 2230a_100020590264_100015370543 [0,1,0,0,0,0|2,0,1]=4 5060 B10R0.71 CC/C=C\CCOCCC#N 7a_100016288707_100000184422 [0,1,0,0,0,0|1,0,2]=4 5061 B10R0.71 CC/C=C\CCOCCCBr 34a_100011217188_100015370543 [0,1,0,0,0,0|1,0,1]=3 5062 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [0,1,0,0,0,0|0,0,1]=2 5063 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [0,1,0,0,0,0|0,0,1]=2 5064 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [0,1,0,0,0,0|0,0,1]=2 5065 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [0,1,0,0,0,0|0,0,1]=2 5066 B10R0.71 CC/C=C\CCOCCCCl 34a_100000230001_100015370543 [0,1,0,0,0,0|1,0,1]=3 5067 B10R0.71 CC/C=C\CCOCCCF 34a_100000759539_100015370543 [0,1,0,0,0,0|1,0,1]=3 5068 B10R0.71 CC/C=C\CCOCCCF 34a_100016288707_100011934791 [0,1,0,0,0,0|1,0,1]=3 5069 B10R0.71 CC/C=C\CCOCCCF 7a_100016288707_100011934791 [0,1,0,0,0,0|1,0,1]=3 5070 B10R0.71 CC/C=C\CCOCCCN 34a_100000182051_100015370543 [0,1,0,0,0,0|1,0,1]=3 5071 B10R0.71 CC/C=C\CCOCCCO 34a_100016288707_100000230001 [0,1,0,0,0,0|1,0,1]=3 5072 B10R0.71 CC/C=C\CCOCCCO 7a_100016288707_100011215043 [0,1,0,0,0,0|1,0,1]=3 5073 B10R0.71 CC/C=C\CCOCCOC 34a_100000210237_100015370543 [0,1,0,0,0,0|1,0,1]=3 5074 B10R0.71 CC/C=C\CCOCCOC 34a_100016288707_100011201679 [0,1,0,0,0,0|1,0,1]=3 5075 B10R0.71 CC/C=C\CCOCCOC 7a_100016288707_100000233755 [0,1,0,0,0,0|1,0,1]=3 5076 B10R0.71 CC/C=C\CCOCCON 34a_100000700252_100015370543 [0,1,0,0,0,0|2,0,1]=4 5077 B10R0.71 CC/C=C\CCOCCSC 34a_100000230434_100015370543 [0,1,0,0,0,0|1,0,1]=3 5078 B10R0.71 CC/C=C\CCOCCSC 34a_100016288707_100000212216 [0,1,0,0,0,0|1,0,1]=3 5079 B10R0.71 CC/C=C\CCOCCSC 7a_100000230434_100015370543 [0,1,0,0,0,0|1,0,1]=3 5080 B10R0.71 CC/C=C\CCOCCSC 7a_100016288707_100000212216 [0,1,0,0,0,0|1,0,1]=3 5081 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [0,1,0,0,0,0|0,1,1]=3 5082 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [0,1,0,0,0,0|0,1,1]=3 5083 B10R0.71 CC/C=C\CCSCCCF 62a_100011934791_100015370543 [0,1,0,0,0,0|1,1,1]=4 5084 B10R0.71 CC/C=C\CCSCCCF 62a_100015370543_100011934791 [0,1,0,0,0,0|1,1,1]=4 5085 B10R0.71 CC/C=C\CCSCCCO 62a_100011215043_100015370543 [0,1,0,0,0,0|1,1,1]=4 5086 B10R0.71 CC/C=C\CCSCCCO 62a_100015370543_100011215043 [0,1,0,0,0,0|1,1,1]=4 5087 B10R0.71 CC/C=C\CCSCCOC 62a_100000233755_100015370543 [0,1,0,0,0,0|1,1,1]=4 5088 B10R0.71 CC/C=C\CCSCCOC 62a_100015370543_100000233755 [0,1,0,0,0,0|1,1,1]=4 5089 B10R0.71 CC/C=C\CCSCCSC 62a_100000212216_100015370543 [0,1,0,0,0,0|1,1,1]=4 5090 B10R0.71 CC/C=C\CCSCCSC 62a_100015370543_100000751147 [0,1,0,0,0,0|1,1,1]=4 5091 B10R0.71 CC/C=C\CCSCOCC 62a_100000739092_100015370543 [0,1,0,0,0,0|1,1,1]=4 5092 B10R0.71 CC/C=C\CCSCOCC 62a_100015370543_100000739092 [0,1,0,0,0,0|1,1,1]=4 5093 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [0,1,0,0,0,0|1,0,1]=3 5094 B10R0.71 CC/C=C\CNCCCCO 2230a_100000750430_100103147603 [0,1,0,0,0,0|1,0,2]=4 5095 B10R0.71 CC/C=C\CNCCCCO 34a_100000750430_100103147603 [0,1,0,0,0,0|1,0,2]=4 5096 B10R0.71 CC/C=C\CNCCCOC 34a_100150723488_100103147603 [0,1,0,0,0,0|1,0,2]=4 5097 B10R0.71 CC/C=C\CNCCCSC 2230a_100000749238_100103147603 [0,1,0,0,0,0|1,0,2]=4 5098 B10R0.71 CC/C=C\CNCCOCC 2230a_102516460346_100103147603 [0,1,0,0,0,0|1,0,2]=4 5099 B10R0.71 CC/C=C\CNCCOCC 34a_102516460346_100103147603 [0,1,0,0,0,0|1,0,2]=4 5100 B10R0.71 CC/C=C\CNCCSCC 2230a_100000106463_100103147603 [0,1,0,0,0,0|1,0,2]=4 5101 B10R0.71 CC/C=C\COC/C=C\CC 34a_100016268518_100103147603 [0,1,0,0,0,0|0,0,3]=4 5102 B10R0.71 CC/C=C\COCCCCBr 34a_100011216708_100103147603 [0,1,0,0,0,0|0,0,2]=3 5103 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [0,1,0,0,0,0|0,0,1]=2 5104 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [0,1,0,0,0,0|0,0,1]=2 5105 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [0,1,0,0,0,0|0,0,1]=2 5106 B10R0.71 CC/C=C\COCCCCCl 34a_100000210776_100103147603 [0,1,0,0,0,0|0,0,2]=3 5107 B10R0.71 CC/C=C\COCCCCCl 7a_100000210776_100103147603 [0,1,0,0,0,0|0,0,2]=3 5108 B10R0.71 CC/C=C\COCCCCF 34a_100011995726_100103147603 [0,1,0,0,0,0|0,0,2]=3 5109 B10R0.71 CC/C=C\COCCCCF 34a_100016268518_100000729493 [0,1,0,0,0,0|0,0,2]=3 5110 B10R0.71 CC/C=C\COCCCCF 7a_100011995726_100103147603 [0,1,0,0,0,0|0,0,2]=3 5111 B10R0.71 CC/C=C\COCCCCI 34a_200012148704_100103147603 [0,1,0,0,0,0|0,0,2]=3 5112 B10R0.71 CC/C=C\COCCCCN 34a_100000750430_100103147603 [0,1,0,0,0,0|0,0,2]=3 5113 B10R0.71 CC/C=C\COCCCCO 34a_100016268518_100011216708 [0,1,0,0,0,0|0,0,2]=3 5114 B10R0.71 CC/C=C\COCCCNC 34a_100000213112_100103147603 [0,1,0,0,0,0|0,0,2]=3 5115 B10R0.71 CC/C=C\COCCCOC 34a_100000740835_100103147603 [0,1,0,0,0,0|0,0,2]=3 5116 B10R0.71 CC/C=C\COCCCOC 34a_100016268518_100000740836 [0,1,0,0,0,0|0,0,2]=3 5117 B10R0.71 CC/C=C\COCCCSC 34a_100000690336_100103147603 [0,1,0,0,0,0|0,0,2]=3 5118 B10R0.71 CC/C=C\COCCCSC 7a_100000690336_100103147603 [0,1,0,0,0,0|0,0,2]=3 5119 B10R0.71 CC/C=C\COCCOCC 34a_100000210136_100103147603 [0,1,0,0,0,0|0,0,2]=3 5120 B10R0.71 CC/C=C\COCCOCC 34a_100016268518_100000210147 [0,1,0,0,0,0|0,0,2]=3 5121 B10R0.71 CC/C=C\COCCOCC 7a_100000210136_100103147603 [0,1,0,0,0,0|0,0,2]=3 5122 B10R0.71 CC/C=C\COCCSCC 34a_100000212035_100103147603 [0,1,0,0,0,0|0,0,2]=3 5123 B10R0.71 CC/C=C\COCCSCC 34a_100016268518_100000757381 [0,1,0,0,0,0|0,0,2]=3 5124 B10R0.71 CC/C=C\COCCSCC 7a_100000212035_100103147603 [0,1,0,0,0,0|0,0,2]=3 5125 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [0,1,0,0,0,0|0,1,1]=3 5126 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [0,1,0,0,0,0|0,1,1]=3 5127 B10R0.71 CC/C=C\CSCCCCF 62a_100000729493_100103147603 [0,1,0,0,0,0|0,1,2]=4 5128 B10R0.71 CC/C=C\CSCCCCF 62a_100103147603_100000729493 [0,1,0,0,0,0|0,1,2]=4 5129 B10R0.71 CC/C=C\CSCCCCO 62a_100000210776_100103147603 [0,1,0,0,0,0|0,1,2]=4 5130 B10R0.71 CC/C=C\CSCCCCO 62a_100103147603_100000210776 [0,1,0,0,0,0|0,1,2]=4 5131 B10R0.71 CC/C=C\CSCCCOC 62a_100000709357_100103147603 [0,1,0,0,0,0|0,1,2]=4 5132 B10R0.71 CC/C=C\CSCCCOC 62a_100103147603_100000709357 [0,1,0,0,0,0|0,1,2]=4 5133 B10R0.71 CC/C=C\CSCCOCC 62a_100000210147_100103147603 [0,1,0,0,0,0|0,1,2]=4 5134 B10R0.71 CC/C=C\CSCCOCC 62a_100103147603_100011215890 [0,1,0,0,0,0|0,1,2]=4 5135 B10R0.71 CC/C=C\CSCCSCC 62a_100000757381_100103147603 [0,1,0,0,0,0|0,1,2]=4 5136 B10R0.71 CC/C=C\CSCCSCC 62a_100103147603_100000757381 [0,1,0,0,0,0|0,1,2]=4 5137 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [0,1,0,0,0,0|0,0,2]=3 5138 B10R0.71 CC=C=CCCOCCCF 34a_100011020354_100011934791 [0,1,0,0,0,0|1,0,2]=4 5139 B10R0.71 CC=C=CCCOCCCO 34a_100011020354_100000230001 [0,1,0,0,0,0|1,0,2]=4 5140 B10R0.71 CC=C=CCCOCCOC 34a_100011020354_100011201679 [0,1,0,0,0,0|1,0,2]=4 5141 B10R0.71 CC=C=CCCOCCSC 34a_100011020354_100000212216 [0,1,0,0,0,0|1,0,2]=4 5142 B10R0.71 CC=CCCCOC/C=C/C 34a_100020645299_100102629194 [0,1,0,0,0,0|0,0,3]=4 5143 B10R0.71 CC=CCCCOCC=CC 34a_100020645299_100000070051 [0,1,0,0,0,0|0,0,3]=4 5144 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [0,1,0,0,0,0|0,0,1]=2 5145 B10R0.71 CC=CCCCOCCCF 34a_100020645299_100011934791 [0,1,0,0,0,0|1,0,1]=3 5146 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [0,1,0,0,0,0|1,0,1]=3 5147 B10R0.71 CC=CCCCOCCOC 34a_100020645299_100011201679 [0,1,0,0,0,0|1,0,1]=3 5148 B10R0.71 CC=CCCCOCCSC 34a_100020645299_100000212216 [0,1,0,0,0,0|1,0,1]=3 5149 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [0,1,0,0,0,0|1,0,2]=4 5150 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [0,1,0,0,0,0|1,0,2]=4 5151 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [0,1,0,0,0,0|1,0,2]=4 5152 B10R0.71 CC=CCNCCCOCC 2230a_100000210961_100000070051 [0,1,0,0,0,0|1,0,2]=4 5153 B10R0.71 CC=CCNCCCOCC 34a_100000210961_100000070051 [0,1,0,0,0,0|1,0,2]=4 5154 B10R0.71 CC=CCNCCOCCC 2230a_100161115042_100000070051 [0,1,0,0,0,0|1,0,2]=4 5155 B10R0.71 CC=CCNCCOCCC 34a_100161115042_100000070051 [0,1,0,0,0,0|1,0,2]=4 5156 B10R0.71 CC=CCNCCSCCC 2230a_100020603323_100000070051 [0,1,0,0,0,0|1,0,2]=4 5157 B10R0.71 CC=CCOC/C=C/CCC 34a_100016278788_100000070051 [0,1,0,0,0,0|0,0,3]=4 5158 B10R0.71 CC=CCOC/C=C/CCC 7a_100016278788_100000070051 [0,1,0,0,0,0|0,0,3]=4 5159 B10R0.71 CC=CCOCC#CCCC 34a_100000034806_100000070051 [0,1,0,0,0,0|0,0,3]=4 5160 B10R0.71 CC=CCOCC#CCCC 7a_100000034806_100000070051 [0,1,0,0,0,0|0,0,3]=4 5161 B10R0.71 CC=CCOCC/C=C\CC 34a_100016288707_100000070051 [0,1,0,0,0,0|0,0,3]=4 5162 B10R0.71 CC=CCOCC/C=C\CC 7a_100016288707_100000070051 [0,1,0,0,0,0|0,0,3]=4 5163 B10R0.71 CC=CCOCCC#CCC 34a_100000036655_100000070051 [0,1,0,0,0,0|0,0,3]=4 5164 B10R0.71 CC=CCOCCC#CCC 7a_100000036655_100000070051 [0,1,0,0,0,0|0,0,3]=4 5165 B10R0.71 CC=CCOCCCCCBr 34a_100000746331_100000070051 [0,1,0,0,0,0|0,0,2]=3 5166 B10R0.71 CC=CCOCCCCCBr 7a_100000746331_100000070051 [0,1,0,0,0,0|0,0,2]=3 5167 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [0,1,0,0,0,0|0,0,2]=3 5168 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [0,1,0,0,0,0|0,0,2]=3 5169 B10R0.71 CC=CCOCCCCCCl 34a_100000746330_100000070051 [0,1,0,0,0,0|0,0,2]=3 5170 B10R0.71 CC=CCOCCCCCCl 7a_100000746330_100000070051 [0,1,0,0,0,0|0,0,2]=3 5171 B10R0.71 CC=CCOCCCCCI 34a_200012148887_100000070051 [0,1,0,0,0,0|0,0,2]=3 5172 B10R0.71 CC=CCOCCCCCI 7a_200012148887_100000070051 [0,1,0,0,0,0|0,0,2]=3 5173 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [0,1,0,0,0,0|0,0,2]=3 5174 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [0,1,0,0,0,0|0,0,2]=3 5175 B10R0.71 CC=CCOCCCCSC 34a_100011217163_100000070051 [0,1,0,0,0,0|0,0,2]=3 5176 B10R0.71 CC=CCOCCCCSC 7a_100011217163_100000070051 [0,1,0,0,0,0|0,0,2]=3 5177 B10R0.71 CC=CCOCCCOCC 34a_100000757476_100000070051 [0,1,0,0,0,0|0,0,2]=3 5178 B10R0.71 CC=CCOCCCOCC 7a_100000757476_100000070051 [0,1,0,0,0,0|0,0,2]=3 5179 B10R0.71 CC=CCOCCCSCC 34a_100011216438_100000070051 [0,1,0,0,0,0|0,0,2]=3 5180 B10R0.71 CC=CCOCCCSCC 7a_100011216438_100000070051 [0,1,0,0,0,0|0,0,2]=3 5181 B10R0.71 CC=CCOCCOCCBr 34a_100000692535_100000070051 [0,1,0,0,0,0|1,0,2]=4 5182 B10R0.71 CC=CCOCCOCCBr 7a_100000692535_100000070051 [0,1,0,0,0,0|1,0,2]=4 5183 B10R0.71 CC=CCOCCOCCC 34a_100000752267_100000070051 [0,1,0,0,0,0|0,0,2]=3 5184 B10R0.71 CC=CCOCCOCCC 7a_100000752267_100000070051 [0,1,0,0,0,0|0,0,2]=3 5185 B10R0.71 CC=CCOCCOCCCl 34a_100011215305_100000070051 [0,1,0,0,0,0|1,0,2]=4 5186 B10R0.71 CC=CCOCCOCCCl 7a_100011215305_100000070051 [0,1,0,0,0,0|1,0,2]=4 5187 B10R0.71 CC=CCOCCOCCF 34a_200015357709_100000070051 [0,1,0,0,0,0|1,0,2]=4 5188 B10R0.71 CC=CCOCCOCCF 7a_200015357709_100000070051 [0,1,0,0,0,0|1,0,2]=4 5189 B10R0.71 CC=CCOCCOCCI 34a_100012149058_100000070051 [0,1,0,0,0,0|1,0,2]=4 5190 B10R0.71 CC=CCOCCOCCI 7a_100012149058_100000070051 [0,1,0,0,0,0|1,0,2]=4 5191 B10R0.71 CC=CCOCCOCCN 34a_100000211614_100000070051 [0,1,0,0,0,0|1,0,2]=4 5192 B10R0.71 CC=CCOCCSCCC 34a_200000230433_100000070051 [0,1,0,0,0,0|0,0,2]=3 5193 B10R0.71 CC=CCOCCSCCC 7a_200000230433_100000070051 [0,1,0,0,0,0|0,0,2]=3 5194 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [0,1,0,0,0,0|0,1,2]=4 5195 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [0,1,0,0,0,0|0,1,2]=4 5196 B10R0.71 CC=CCSCCCCCF 62a_100000070051_100000729378 [0,1,0,0,0,0|0,1,2]=4 5197 B10R0.71 CC=CCSCCCCCF 62a_100000729378_100000070051 [0,1,0,0,0,0|0,1,2]=4 5198 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [0,1,0,0,0,0|0,1,2]=4 5199 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [0,1,0,0,0,0|0,1,2]=4 5200 B10R0.71 CC=CCSCCCCOC 62a_100000070051_100000730899 [0,1,0,0,0,0|0,1,2]=4 5201 B10R0.71 CC=CCSCCCCOC 62a_100000730899_100000070051 [0,1,0,0,0,0|0,1,2]=4 5202 B10R0.71 CC=CCSCCCOCC 62a_100000070051_100012232248 [0,1,0,0,0,0|0,1,2]=4 5203 B10R0.71 CC=CCSCCCOCC 62a_100012232248_100000070051 [0,1,0,0,0,0|0,1,2]=4 5204 B10R0.71 CC=CCSCCOCCC 62a_100000070051_100011215938 [0,1,0,0,0,0|0,1,2]=4 5205 B10R0.71 CC=CCSCCOCCC 62a_100011215938_100000070051 [0,1,0,0,0,0|0,1,2]=4 5206 B10R0.71 CC=CCSCOCCCC 62a_100000070051_100011995733 [0,1,0,0,0,0|0,0,2]=3 5207 B10R0.71 CC=CCSCOCCCC 62a_100011995733_100000070051 [0,1,0,0,0,0|0,0,2]=3 5208 B10R0.71 CC=CCSCOCCOC 62a_100000070051_100000231047 [0,1,0,0,0,0|1,0,2]=4 5209 B10R0.71 CC=CCSCOCCOC 62a_100000231047_100000070051 [0,1,0,0,0,0|1,0,2]=4 5210 B10R0.71 CCC#CCCOCCC#N 7a_100000036655_100000184422 [0,1,0,0,0,0|1,0,2]=4 5211 B10R0.71 CCC#CCCOCCCC 34a_100000036655_100000210210 [0,1,0,0,0,0|0,0,1]=2 5212 B10R0.71 CCC#CCCOCCCC 7a_100000036655_100000210211 [0,1,0,0,0,0|0,0,1]=2 5213 B10R0.71 CCC#CCCOCCCF 34a_100000036655_100011934791 [0,1,0,0,0,0|1,0,1]=3 5214 B10R0.71 CCC#CCCOCCCF 7a_100000036655_100011934791 [0,1,0,0,0,0|1,0,1]=3 5215 B10R0.71 CCC#CCCOCCCO 34a_100000036655_100000230001 [0,1,0,0,0,0|1,0,1]=3 5216 B10R0.71 CCC#CCCOCCCO 7a_100000036655_100011215043 [0,1,0,0,0,0|1,0,1]=3 5217 B10R0.71 CCC#CCCOCCOC 34a_100000036655_100011201679 [0,1,0,0,0,0|1,0,1]=3 5218 B10R0.71 CCC#CCCOCCOC 7a_100000036655_100000233755 [0,1,0,0,0,0|1,0,1]=3 5219 B10R0.71 CCC#CCCOCCSC 34a_100000036655_100000212216 [0,1,0,0,0,0|1,0,1]=3 5220 B10R0.71 CCC#CCCOCCSC 7a_100000036655_100000212216 [0,1,0,0,0,0|1,0,1]=3 5221 B10R0.71 CCC#CCNCCCCC 2230a_100000209983_100009813939 [0,1,0,0,0,0|1,0,1]=3 5222 B10R0.71 CCC#CCNCCCCO 2230a_100000750430_100009813939 [0,1,0,0,0,0|1,0,2]=4 5223 B10R0.71 CCC#CCNCCCCO 34a_100000750430_100009813939 [0,1,0,0,0,0|1,0,2]=4 5224 B10R0.71 CCC#CCNCCCOC 34a_100150723488_100009813939 [0,1,0,0,0,0|1,0,2]=4 5225 B10R0.71 CCC#CCNCCCSC 2230a_100000749238_100009813939 [0,1,0,0,0,0|1,0,2]=4 5226 B10R0.71 CCC#CCNCCOCC 2230a_102516460346_100009813939 [0,1,0,0,0,0|1,0,2]=4 5227 B10R0.71 CCC#CCNCCOCC 34a_102516460346_100009813939 [0,1,0,0,0,0|1,0,2]=4 5228 B10R0.71 CCC#CCNCCSCC 2230a_100000106463_100009813939 [0,1,0,0,0,0|1,0,2]=4 5229 B10R0.71 CCC#CCOC/C=C\CC 34a_100000032950_100103147603 [0,1,0,0,0,0|0,0,3]=4 5230 B10R0.71 CCC#CCOC/C=C\CC 34a_100016268518_100009813939 [0,1,0,0,0,0|0,0,3]=4 5231 B10R0.71 CCC#CCOCC#CCC 34a_100000032950_100009813939 [0,1,0,0,0,0|0,0,3]=4 5232 B10R0.71 CCC#CCOCCCCBr 34a_100011216708_100009813939 [0,1,0,0,0,0|0,0,2]=3 5233 B10R0.71 CCC#CCOCCCCC 34a_100000032950_100000718602 [0,1,0,0,0,0|0,0,1]=2 5234 B10R0.71 CCC#CCOCCCCC 34a_100000210253_100009813939 [0,1,0,0,0,0|0,0,1]=2 5235 B10R0.71 CCC#CCOCCCCC 7a_100000210253_100009813939 [0,1,0,0,0,0|0,0,1]=2 5236 B10R0.71 CCC#CCOCCCCCl 34a_100000210776_100009813939 [0,1,0,0,0,0|0,0,2]=3 5237 B10R0.71 CCC#CCOCCCCCl 7a_100000210776_100009813939 [0,1,0,0,0,0|0,0,2]=3 5238 B10R0.71 CCC#CCOCCCCF 34a_100000032950_100000729493 [0,1,0,0,0,0|0,0,2]=3 5239 B10R0.71 CCC#CCOCCCCF 34a_100011995726_100009813939 [0,1,0,0,0,0|0,0,2]=3 5240 B10R0.71 CCC#CCOCCCCF 7a_100011995726_100009813939 [0,1,0,0,0,0|0,0,2]=3 5241 B10R0.71 CCC#CCOCCCCI 34a_200012148704_100009813939 [0,1,0,0,0,0|0,0,2]=3 5242 B10R0.71 CCC#CCOCCCCN 34a_100000750430_100009813939 [0,1,0,0,0,0|0,0,2]=3 5243 B10R0.71 CCC#CCOCCCCO 34a_100000032950_100011216708 [0,1,0,0,0,0|0,0,2]=3 5244 B10R0.71 CCC#CCOCCCNC 34a_100000213112_100009813939 [0,1,0,0,0,0|0,0,2]=3 5245 B10R0.71 CCC#CCOCCCOC 34a_100000032950_100000740836 [0,1,0,0,0,0|0,0,2]=3 5246 B10R0.71 CCC#CCOCCCOC 34a_100000740835_100009813939 [0,1,0,0,0,0|0,0,2]=3 5247 B10R0.71 CCC#CCOCCCSC 34a_100000690336_100009813939 [0,1,0,0,0,0|0,0,2]=3 5248 B10R0.71 CCC#CCOCCCSC 7a_100000690336_100009813939 [0,1,0,0,0,0|0,0,2]=3 5249 B10R0.71 CCC#CCOCCOCC 34a_100000032950_100000210147 [0,1,0,0,0,0|0,0,2]=3 5250 B10R0.71 CCC#CCOCCOCC 34a_100000210136_100009813939 [0,1,0,0,0,0|0,0,2]=3 5251 B10R0.71 CCC#CCOCCOCC 7a_100000210136_100009813939 [0,1,0,0,0,0|0,0,2]=3 5252 B10R0.71 CCC#CCOCCSCC 34a_100000032950_100000757381 [0,1,0,0,0,0|0,0,2]=3 5253 B10R0.71 CCC#CCOCCSCC 34a_100000212035_100009813939 [0,1,0,0,0,0|0,0,2]=3 5254 B10R0.71 CCC#CCOCCSCC 7a_100000212035_100009813939 [0,1,0,0,0,0|0,0,2]=3 5255 B10R0.71 CCC#CCSCCCCC 62a_100000210326_100009813939 [0,1,0,0,0,0|0,1,1]=3 5256 B10R0.71 CCC#CCSCCCCC 62a_100009813939_100000210326 [0,1,0,0,0,0|0,1,1]=3 5257 B10R0.71 CCC#CCSCCCCF 62a_100000729493_100009813939 [0,1,0,0,0,0|0,1,2]=4 5258 B10R0.71 CCC#CCSCCCCF 62a_100009813939_100000729493 [0,1,0,0,0,0|0,1,2]=4 5259 B10R0.71 CCC#CCSCCCCO 62a_100000210776_100009813939 [0,1,0,0,0,0|0,1,2]=4 5260 B10R0.71 CCC#CCSCCCCO 62a_100009813939_100000210776 [0,1,0,0,0,0|0,1,2]=4 5261 B10R0.71 CCC#CCSCCCOC 62a_100000709357_100009813939 [0,1,0,0,0,0|0,1,2]=4 5262 B10R0.71 CCC#CCSCCCOC 62a_100009813939_100000709357 [0,1,0,0,0,0|0,1,2]=4 5263 B10R0.71 CCC#CCSCCOCC 62a_100000210147_100009813939 [0,1,0,0,0,0|0,1,2]=4 5264 B10R0.71 CCC#CCSCCOCC 62a_100009813939_100011215890 [0,1,0,0,0,0|0,1,2]=4 5265 B10R0.71 CCC#CCSCCSCC 62a_100000757381_100009813939 [0,1,0,0,0,0|0,1,2]=4 5266 B10R0.71 CCC#CCSCCSCC 62a_100009813939_100000757381 [0,1,0,0,0,0|0,1,2]=4 5267 B10R0.71 CCC/C=C/COCCC#N 7a_100016278788_100000184422 [0,1,0,0,0,0|1,0,2]=4 5268 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [0,1,0,0,0,0|0,0,1]=2 5269 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [0,1,0,0,0,0|0,0,1]=2 5270 B10R0.71 CCC/C=C/COCCCF 34a_100016278788_100011934791 [0,1,0,0,0,0|1,0,1]=3 5271 B10R0.71 CCC/C=C/COCCCF 7a_100016278788_100011934791 [0,1,0,0,0,0|1,0,1]=3 5272 B10R0.71 CCC/C=C/COCCCO 34a_100016278788_100000230001 [0,1,0,0,0,0|1,0,1]=3 5273 B10R0.71 CCC/C=C/COCCCO 7a_100016278788_100011215043 [0,1,0,0,0,0|1,0,1]=3 5274 B10R0.71 CCC/C=C/COCCOC 34a_100016278788_100011201679 [0,1,0,0,0,0|1,0,1]=3 5275 B10R0.71 CCC/C=C/COCCOC 7a_100016278788_100000233755 [0,1,0,0,0,0|1,0,1]=3 5276 B10R0.71 CCC/C=C/COCCSC 34a_100016278788_100000212216 [0,1,0,0,0,0|1,0,1]=3 5277 B10R0.71 CCC/C=C/COCCSC 7a_100016278788_100000212216 [0,1,0,0,0,0|1,0,1]=3 5278 B10R0.71 CCCC#CCCOCCC 34a_100000042726_100000210303 [0,1,0,0,0,0|1,0,1]=3 5279 B10R0.71 CCCC#CCCOCCC 7a_100000042726_100000210303 [0,1,0,0,0,0|1,0,1]=3 5280 B10R0.71 CCCC#CCCOCCF 34a_100000042726_100011217306 [0,1,0,0,0,0|2,0,1]=4 5281 B10R0.71 CCCC#CCCOCCF 7a_100000042726_100011217306 [0,1,0,0,0,0|2,0,1]=4 5282 B10R0.71 CCCC#CCCOCCO 34a_100000042726_100000211926 [0,1,0,0,0,0|2,0,1]=4 5283 B10R0.71 CCCC#CCCOCCO 7a_100000042726_100000211926 [0,1,0,0,0,0|2,0,1]=4 5284 B10R0.71 CCCC#CCCOCSC 34a_100000042726_100011218213 [0,1,0,0,0,0|2,0,1]=4 5285 B10R0.71 CCCC#CCOCCC#N 7a_100000034806_100000184422 [0,1,0,0,0,0|1,0,2]=4 5286 B10R0.71 CCCC#CCOCCCC 34a_100000034806_100000210210 [0,1,0,0,0,0|0,0,1]=2 5287 B10R0.71 CCCC#CCOCCCC 7a_100000034806_100000210211 [0,1,0,0,0,0|0,0,1]=2 5288 B10R0.71 CCCC#CCOCCCF 34a_100000034806_100011934791 [0,1,0,0,0,0|1,0,1]=3 5289 B10R0.71 CCCC#CCOCCCF 7a_100000034806_100011934791 [0,1,0,0,0,0|1,0,1]=3 5290 B10R0.71 CCCC#CCOCCCO 34a_100000034806_100000230001 [0,1,0,0,0,0|1,0,1]=3 5291 B10R0.71 CCCC#CCOCCCO 7a_100000034806_100011215043 [0,1,0,0,0,0|1,0,1]=3 5292 B10R0.71 CCCC#CCOCCOC 34a_100000034806_100011201679 [0,1,0,0,0,0|1,0,1]=3 5293 B10R0.71 CCCC#CCOCCOC 7a_100000034806_100000233755 [0,1,0,0,0,0|1,0,1]=3 5294 B10R0.71 CCCC#CCOCCSC 34a_100000034806_100000212216 [0,1,0,0,0,0|1,0,1]=3 5295 B10R0.71 CCCC#CCOCCSC 7a_100000034806_100000212216 [0,1,0,0,0,0|1,0,1]=3 5296 B10R0.71 CCCC/C=C/COCCC 34a_200016272032_100000210303 [0,1,0,0,0,0|1,0,1]=3 5297 B10R0.71 CCCC/C=C/COCCC 7a_200016272032_100000210303 [0,1,0,0,0,0|1,0,1]=3 5298 B10R0.71 CCCC/C=C/COCCF 34a_200016272032_100011217306 [0,1,0,0,0,0|2,0,1]=4 5299 B10R0.71 CCCC/C=C/COCCF 7a_200016272032_100011217306 [0,1,0,0,0,0|2,0,1]=4 5300 B10R0.71 CCCC/C=C/COCCO 34a_200016272032_100000211926 [0,1,0,0,0,0|2,0,1]=4 5301 B10R0.71 CCCC/C=C/COCCO 7a_200016272032_100000211926 [0,1,0,0,0,0|2,0,1]=4 5302 B10R0.71 CCCC/C=C/COCSC 34a_200016272032_100011218213 [0,1,0,0,0,0|2,0,1]=4 5303 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [0,1,0,0,0,0|1,0,1]=3 5304 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [0,1,0,0,0,0|1,0,1]=3 5305 B10R0.71 CCCC/C=C\CCOCF 34a_200016286491_100015361967 [0,1,0,0,0,0|2,0,1]=4 5306 B10R0.71 CCCC/C=C\CCOCF 7a_200016286491_100015361967 [0,1,0,0,0,0|2,0,1]=4 5307 B10R0.71 CCCC=NNCCCCC 4a_100000694160_100000185831 [0,1,0,0,0,0|1,0,1]=3 5308 B10R0.71 CCCC=NNCCOCC 4a_100000732670_100000185831 [0,1,0,0,0,0|2,0,1]=4 5309 B10R0.71 CCCCC#CCCCNC 2230a_106832991635_200000047210 [0,1,0,0,0,0|1,0,1]=3 5310 B10R0.71 CCCCC#CCCCNC 34a_100102657272_200000047210 [0,1,0,0,0,0|1,0,1]=3 5311 B10R0.71 CCCCC#CCCCNC 7a_106832991635_200000047210 [0,1,0,0,0,0|1,0,1]=3 5312 B10R0.71 CCCCC#CCCCOC 34a_100138415774_200000047210 [0,1,0,0,0,0|1,0,1]=3 5313 B10R0.71 CCCCC#CCCCSC 62a_200000047210_200000210301 [0,1,0,0,0,0|1,0,1]=3 5314 B10R0.71 CCCCC#CCCCSC 62a_200000210301_200000047210 [0,1,0,0,0,0|1,0,1]=3 5315 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200000047210_200025704644 [0,1,0,0,0,0|1,0,1]=3 5316 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200025704644_200000047210 [0,1,0,0,0,0|1,0,1]=3 5317 B10R0.71 CCCCC#CCCOCC 34a_100000037610_100000210202 [0,1,0,0,0,0|1,0,1]=3 5318 B10R0.71 CCCCC#CCCOCC 7a_100000037610_100000210202 [0,1,0,0,0,0|1,0,1]=3 5319 B10R0.71 CCCCC#CCCOCF 34a_100000037610_100015361967 [0,1,0,0,0,0|2,0,1]=4 5320 B10R0.71 CCCCC#CCCOCF 7a_100000037610_100015361967 [0,1,0,0,0,0|2,0,1]=4 5321 B10R0.71 CCCCC#CCOCCC 34a_200000034558_100000210303 [0,1,0,0,0,0|1,0,1]=3 5322 B10R0.71 CCCCC#CCOCCC 7a_200000034558_100000210303 [0,1,0,0,0,0|1,0,1]=3 5323 B10R0.71 CCCCC#CCOCCF 34a_200000034558_100011217306 [0,1,0,0,0,0|2,0,1]=4 5324 B10R0.71 CCCCC#CCOCCF 7a_200000034558_100011217306 [0,1,0,0,0,0|2,0,1]=4 5325 B10R0.71 CCCCC#CCOCCO 34a_200000034558_100000211926 [0,1,0,0,0,0|2,0,1]=4 5326 B10R0.71 CCCCC#CCOCCO 7a_200000034558_100000211926 [0,1,0,0,0,0|2,0,1]=4 5327 B10R0.71 CCCCC#CCOCSC 34a_200000034558_100011218213 [0,1,0,0,0,0|2,0,1]=4 5328 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [0,1,0,0,0,0|1,0,1]=3 5329 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [0,1,0,0,0,0|1,0,1]=3 5330 B10R0.71 CCCCC/C=C/COCF 34a_100016258190_100015361967 [0,1,0,0,0,0|2,0,1]=4 5331 B10R0.71 CCCCC/C=C/COCF 7a_100016258190_100015361967 [0,1,0,0,0,0|2,0,1]=4 5332 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [0,1,0,0,0,0|1,0,1]=3 5333 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [0,1,0,0,0,0|1,0,1]=3 5334 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [0,1,0,0,0,0|1,0,1]=3 5335 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [0,1,0,0,0,0|1,0,1]=3 5336 B10R0.71 CCCCC=NNCCCC 4a_100025702795_100000210104 [0,1,0,0,0,0|1,0,1]=3 5337 B10R0.71 CCCCCC#CCCOC 34a_200000042877_200000210301 [0,1,0,0,0,0|1,0,1]=3 5338 B10R0.71 CCCCCC#CCCOC 7a_200000042877_200000210301 [0,1,0,0,0,0|1,0,1]=3 5339 B10R0.71 CCCCCC#CCCO[13CH3] 34a_200000042877_200025704644 [0,1,0,0,0,0|1,0,1]=3 5340 B10R0.71 CCCCCC#CCCO[13CH3] 7a_200000042877_200025704644 [0,1,0,0,0,0|1,0,1]=3 5341 B10R0.71 CCCCCC#CCNCC 2230a_100015525214_100009816472 [0,1,0,0,0,0|1,0,1]=3 5342 B10R0.71 CCCCCC#CCOCC 34a_100121572206_100009816472 [0,1,0,0,0,0|1,0,1]=3 5343 B10R0.71 CCCCCC#CCOCC 34a_200000033628_100000210202 [0,1,0,0,0,0|1,0,1]=3 5344 B10R0.71 CCCCCC#CCOCC 7a_200000033628_100000210202 [0,1,0,0,0,0|1,0,1]=3 5345 B10R0.71 CCCCCC#CCOCF 34a_200000033628_100015361967 [0,1,0,0,0,0|2,0,1]=4 5346 B10R0.71 CCCCCC#CCOCF 7a_200000033628_100015361967 [0,1,0,0,0,0|2,0,1]=4 5347 B10R0.71 CCCCCC#CCSCC 62a_100000210202_100009816472 [0,1,0,0,0,0|1,0,1]=3 5348 B10R0.71 CCCCCC#CCSCC 62a_100009816472_100000210202 [0,1,0,0,0,0|1,0,1]=3 5349 B10R0.71 CCCCCC#CCSCF 62a_100009816472_100015361967 [0,1,0,0,0,0|2,0,1]=4 5350 B10R0.71 CCCCCC#CCSCF 62a_100015361967_100009816472 [0,1,0,0,0,0|2,0,1]=4 5351 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [0,1,0,0,0,0|1,0,2]=4 5352 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [0,1,0,0,0,0|1,0,2]=4 5353 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [0,1,0,0,0,0|1,0,2]=4 5354 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [0,1,0,0,0,0|1,0,2]=4 5355 B10R0.71 CCCCCC=NNCCC 4a_100000740057_100000737632 [0,1,0,0,0,0|2,0,0]=3 5356 B10R0.71 CCCCCC=NNCCO 4a_100000210001_100000737632 [0,1,0,0,0,0|3,0,0]=4 5357 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [0,1,0,0,0,0|1,0,2]=4 5358 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [0,1,0,0,0,0|1,0,2]=4 5359 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [0,1,0,0,0,0|1,0,2]=4 5360 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [0,1,0,0,0,0|1,0,2]=4 5361 B10R0.71 CCCCCCC=NNCC 4a_100000756455_100000234349 [0,1,0,0,0,0|2,0,1]=4 5362 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [0,1,0,0,0,0|1,0,0]=2 5363 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [0,1,0,0,0,0|1,0,0]=2 5364 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [0,1,0,0,0,0|1,0,0]=2 5365 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [0,1,0,0,0,0|1,0,0]=2 5366 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [0,1,0,0,0,0|1,0,0]=2 5367 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [0,1,0,0,0,0|1,0,0]=2 5368 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [0,1,0,0,0,0|1,0,0]=2 5369 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [0,1,0,0,0,0|1,0,0]=2 5370 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [0,1,0,0,0,0|1,0,0]=2 5371 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [0,1,0,0,0,0|1,0,0]=2 5372 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [0,1,0,0,0,0|1,0,0]=2 5373 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [0,1,0,0,0,0|1,0,0]=2 5374 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [0,1,0,0,0,0|1,0,0]=2 5375 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [0,1,0,0,0,0|1,0,0]=2 5376 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [0,1,0,0,0,0|1,0,0]=2 5377 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [0,1,0,0,0,0|1,0,0]=2 5378 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [0,1,0,0,0,0|1,0,0]=2 5379 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [0,1,0,0,0,0|2,0,0]=3 5380 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [0,1,0,0,0,0|1,0,0]=2 5381 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [0,1,0,0,0,0|1,0,0]=2 5382 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [0,1,0,0,0,0|1,0,0]=2 5383 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [0,1,0,0,0,0|2,0,0]=3 5384 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [0,1,0,0,0,0|2,0,0]=3 5385 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [0,1,0,0,0,0|1,0,0]=2 5386 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [0,1,0,0,0,0|1,0,0]=2 5387 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [0,1,0,0,0,0|2,0,0]=3 5388 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [0,1,0,0,0,0|2,0,0]=3 5389 B10R0.71 CCCCCCCNCC#N 2230a_100000229938_100011215382 [0,1,0,0,0,0|2,0,1]=4 5390 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [0,1,0,0,0,0|2,0,1]=4 5391 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [0,1,0,0,0,0|1,0,0]=2 5392 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [0,1,0,0,0,0|2,0,0]=3 5393 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [0,1,0,0,0,0|2,0,0]=3 5394 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [0,1,0,0,0,0|2,0,0]=3 5395 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [0,1,0,0,0,0|2,0,0]=3 5396 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [0,1,0,0,0,0|2,0,0]=3 5397 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [0,1,0,0,0,0|2,0,0]=3 5398 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [0,1,0,0,0,0|2,0,0]=3 5399 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [0,1,0,0,0,0|2,0,1]=4 5400 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [0,1,0,0,0,0|2,0,1]=4 5401 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [0,1,0,0,0,0|2,0,1]=4 5402 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [0,1,0,0,0,0|2,0,0]=3 5403 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [0,1,0,0,0,0|1,0,0]=2 5404 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [0,1,0,0,0,0|1,0,0]=2 5405 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [0,1,0,0,0,0|1,0,0]=2 5406 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [0,1,0,0,0,0|2,0,0]=3 5407 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [0,1,0,0,0,0|2,0,0]=3 5408 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [0,1,0,0,0,0|2,0,0]=3 5409 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [0,1,0,0,0,0|2,0,0]=3 5410 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [0,1,0,0,0,0|2,0,0]=3 5411 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [0,1,0,0,0,0|2,0,0]=3 5412 B10R0.71 CCCCCCCSCC#N 62a_100000210614_100011215382 [0,1,0,0,0,0|2,0,1]=4 5413 B10R0.71 CCCCCCCSCC#N 62a_100011215382_100000210316 [0,1,0,0,0,0|2,0,1]=4 5414 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [0,1,0,0,0,0|2,0,1]=4 5415 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [0,1,0,0,0,0|2,0,1]=4 5416 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [0,1,0,0,0,0|1,0,0]=2 5417 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [0,1,0,0,0,0|1,0,0]=2 5418 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [0,1,0,0,0,0|2,0,0]=3 5419 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [0,1,0,0,0,0|2,0,0]=3 5420 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [0,1,0,0,0,0|2,0,0]=3 5421 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [0,1,0,0,0,0|2,0,0]=3 5422 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [0,1,0,0,0,0|2,0,0]=3 5423 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [0,1,0,0,0,0|2,0,0]=3 5424 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [0,1,0,0,0,0|2,0,0]=3 5425 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [0,1,0,0,0,0|2,0,0]=3 5426 B10R0.71 CCCCCCNCCC#N 2230a_100000210581_100011215226 [0,1,0,0,0,0|2,0,1]=4 5427 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [0,1,0,0,0,0|1,0,0]=2 5428 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [0,1,0,0,0,0|1,0,0]=2 5429 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [0,1,0,0,0,0|1,0,0]=2 5430 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [0,1,0,0,0,0|2,0,0]=3 5431 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [0,1,0,0,0,0|2,0,0]=3 5432 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [0,1,0,0,0,0|2,0,0]=3 5433 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [0,1,0,0,0,0|2,0,0]=3 5434 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [0,1,0,0,0,0|2,0,0]=3 5435 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [0,1,0,0,0,0|2,0,0]=3 5436 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [0,1,0,0,0,0|2,0,0]=3 5437 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [0,1,0,0,0,0|2,0,0]=3 5438 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [0,1,0,0,0,0|1,0,1]=3 5439 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [0,1,0,0,0,0|1,0,0]=2 5440 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [0,1,0,0,0,0|0,0,0]=1 5441 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [0,1,0,0,0,0|0,0,0]=1 5442 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [0,1,0,0,0,0|0,0,0]=1 5443 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [0,1,0,0,0,0|0,0,0]=1 5444 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [0,1,0,0,0,0|1,0,0]=2 5445 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [0,1,0,0,0,0|1,0,0]=2 5446 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [0,1,0,0,0,0|1,0,0]=2 5447 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [0,1,0,0,0,0|1,0,0]=2 5448 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [0,1,0,0,0,0|1,0,0]=2 5449 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [0,1,0,0,0,0|1,0,0]=2 5450 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [0,1,0,0,0,0|1,0,0]=2 5451 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [0,1,0,0,0,0|1,0,0]=2 5452 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [0,1,0,0,0,0|1,0,0]=2 5453 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [0,1,0,0,0,0|1,0,0]=2 5454 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [0,1,0,0,0,0|1,0,0]=2 5455 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [0,1,0,0,0,0|1,0,0]=2 5456 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [0,1,0,0,0,0|2,0,0]=3 5457 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [0,1,0,0,0,0|1,0,0]=2 5458 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [0,1,0,0,0,0|1,0,0]=2 5459 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [0,1,0,0,0,0|1,0,0]=2 5460 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [0,1,0,0,0,0|1,0,0]=2 5461 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [0,1,0,0,0,0|1,0,0]=2 5462 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [0,1,0,0,0,0|1,0,0]=2 5463 B10R0.71 CCCCCCSCCC#N 62a_100000210314_100011215226 [0,1,0,0,0,0|1,1,1]=4 5464 B10R0.71 CCCCCCSCCC#N 62a_100011215226_100000210757 [0,1,0,0,0,0|1,1,1]=4 5465 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [0,1,0,0,0,0|0,1,0]=2 5466 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [0,1,0,0,0,0|0,1,0]=2 5467 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [0,1,0,0,0,0|1,1,0]=3 5468 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [0,1,0,0,0,0|1,1,0]=3 5469 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [0,1,0,0,0,0|1,1,0]=3 5470 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [0,1,0,0,0,0|1,1,0]=3 5471 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [0,1,0,0,0,0|1,1,0]=3 5472 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [0,1,0,0,0,0|1,1,0]=3 5473 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [0,1,0,0,0,0|1,1,0]=3 5474 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [0,1,0,0,0,0|1,1,0]=3 5475 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [0,1,0,0,0,0|1,1,0]=3 5476 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [0,1,0,0,0,0|1,1,0]=3 5477 B10R0.71 CCCCCNCC#CCO 2230a_100000209983_200000047223 [0,1,0,0,0,0|1,0,2]=4 5478 B10R0.71 CCCCCNCCCC#N 2230a_100000209983_100000687738 [0,1,0,0,0,0|1,0,1]=3 5479 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [0,1,0,0,0,0|1,0,1]=3 5480 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [0,1,0,0,0,0|1,0,0]=2 5481 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [0,1,0,0,0,0|1,0,0]=2 5482 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [0,1,0,0,0,0|1,0,0]=2 5483 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [0,1,0,0,0,0|1,0,0]=2 5484 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [0,1,0,0,0,0|1,0,0]=2 5485 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [0,1,0,0,0,0|1,0,0]=2 5486 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [0,1,0,0,0,0|1,0,0]=2 5487 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [0,1,0,0,0,0|1,0,0]=2 5488 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [0,1,0,0,0,0|1,0,0]=2 5489 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [0,1,0,0,0,0|1,0,0]=2 5490 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [0,1,0,0,0,0|1,0,0]=2 5491 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [0,1,0,0,0,0|1,0,0]=2 5492 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [0,1,0,0,0,0|2,0,0]=3 5493 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [0,1,0,0,0,0|1,0,0]=2 5494 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [0,1,0,0,0,0|1,0,0]=2 5495 B10R0.71 CCCCCOCC#CCCl 34a_200000047223_100000718602 [0,1,0,0,0,0|0,0,2]=3 5496 B10R0.71 CCCCCOCC#CCO 34a_100000210253_200000047223 [0,1,0,0,0,0|0,0,2]=3 5497 B10R0.71 CCCCCOCC#CCO 7a_100000210253_200000047223 [0,1,0,0,0,0|0,0,2]=3 5498 B10R0.71 CCCCCOCCCC#N 7a_100000210253_100000687738 [0,1,0,0,0,0|0,0,1]=2 5499 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [0,1,0,0,0,0|0,0,1]=2 5500 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [0,1,0,0,0,0|0,0,0]=1 5501 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [0,1,0,0,0,0|0,0,0]=1 5502 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [0,1,0,0,0,0|0,0,0]=1 5503 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [0,1,0,0,0,0|0,0,0]=1 5504 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [0,1,0,0,0,0|0,0,0]=1 5505 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [0,1,0,0,0,0|0,0,0]=1 5506 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [0,1,0,0,0,0|0,0,0]=1 5507 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [0,1,0,0,0,0|0,0,0]=1 5508 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [0,1,0,0,0,0|0,0,0]=1 5509 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [0,1,0,0,0,0|0,0,0]=1 5510 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [0,1,0,0,0,0|0,0,0]=1 5511 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [0,1,0,0,0,0|0,0,0]=1 5512 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [0,1,0,0,0,0|0,0,0]=1 5513 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [0,1,0,0,0,0|0,0,0]=1 5514 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [0,1,0,0,0,0|0,0,0]=1 5515 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [0,1,0,0,0,0|0,0,0]=1 5516 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [0,1,0,0,0,0|0,0,0]=1 5517 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [0,1,0,0,0,0|0,0,0]=1 5518 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [0,1,0,0,0,0|0,0,0]=1 5519 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [0,1,0,0,0,0|0,0,0]=1 5520 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [0,1,0,0,0,0|0,0,0]=1 5521 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [0,1,0,0,0,0|0,0,0]=1 5522 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [0,1,0,0,0,0|0,0,0]=1 5523 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [0,1,0,0,0,0|0,0,0]=1 5524 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [0,1,0,0,0,0|0,0,0]=1 5525 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [0,1,0,0,0,0|1,0,0]=2 5526 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [0,1,0,0,0,0|1,0,0]=2 5527 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [0,1,0,0,0,0|0,0,0]=1 5528 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [0,1,0,0,0,0|0,0,0]=1 5529 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [0,1,0,0,0,0|0,0,0]=1 5530 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [0,1,0,0,0,0|0,0,0]=1 5531 B10R0.71 CCCCCSCC#CCO 62a_100000210326_200000047223 [0,1,0,0,0,0|0,1,2]=4 5532 B10R0.71 CCCCCSCC#CCO 62a_200000047223_100000210326 [0,1,0,0,0,0|0,1,2]=4 5533 B10R0.71 CCCCCSCCCC#N 62a_100000210326_100000687738 [0,1,0,0,0,0|0,1,1]=3 5534 B10R0.71 CCCCCSCCCC#N 62a_100000687738_100000210326 [0,1,0,0,0,0|0,1,1]=3 5535 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [0,1,0,0,0,0|0,1,1]=3 5536 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [0,1,0,0,0,0|0,1,1]=3 5537 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [0,1,0,0,0,0|0,1,0]=2 5538 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [0,1,0,0,0,0|0,1,0]=2 5539 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [0,1,0,0,0,0|0,1,0]=2 5540 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [0,1,0,0,0,0|0,1,0]=2 5541 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [0,1,0,0,0,0|0,1,0]=2 5542 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [0,1,0,0,0,0|0,1,0]=2 5543 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [0,1,0,0,0,0|0,1,0]=2 5544 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [0,1,0,0,0,0|0,1,0]=2 5545 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [0,1,0,0,0,0|0,1,0]=2 5546 B10R0.71 CCCCCSCCSC#N 62a_100000034367_100000210326 [0,1,0,0,0,0|1,1,1]=4 5547 B10R0.71 CCCCCSCCSC#N 62a_100000210326_100000034367 [0,1,0,0,0,0|1,1,1]=4 5548 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [0,1,0,0,0,0|0,1,0]=2 5549 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [0,1,0,0,0,0|0,1,0]=2 5550 B10R0.71 CCCCNCCCCC#N 2230a_100000102301_100000211819 [0,1,0,0,0,0|1,0,1]=3 5551 B10R0.71 CCCCNCCCCC#N 7a_106832991798_100000211819 [0,1,0,0,0,0|1,0,1]=3 5552 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [0,1,0,0,0,0|1,0,1]=3 5553 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [0,1,0,0,0,0|1,0,1]=3 5554 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [0,1,0,0,0,0|1,0,0]=2 5555 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [0,1,0,0,0,0|1,0,0]=2 5556 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [0,1,0,0,0,0|1,0,0]=2 5557 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [0,1,0,0,0,0|1,0,0]=2 5558 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [0,1,0,0,0,0|1,0,0]=2 5559 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [0,1,0,0,0,0|1,0,0]=2 5560 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [0,1,0,0,0,0|1,0,0]=2 5561 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [0,1,0,0,0,0|1,0,0]=2 5562 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [0,1,0,0,0,0|1,0,0]=2 5563 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [0,1,0,0,0,0|1,0,0]=2 5564 B10R0.71 CCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210211 [0,1,0,0,0,0|3,0,0]=4 5565 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [0,1,0,0,0,0|1,0,0]=2 5566 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [0,1,0,0,0,0|1,0,0]=2 5567 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [0,1,0,0,0,0|1,0,0]=2 5568 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [0,1,0,0,0,0|1,0,0]=2 5569 B10R0.71 CCCCNCCOCC#N 2230a_100000102301_200000047693 [0,1,0,0,0,0|2,0,1]=4 5570 B10R0.71 CCCCNCCOCC#N 7a_106832991798_200000047693 [0,1,0,0,0,0|2,0,1]=4 5571 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [0,1,0,0,0,0|1,0,0]=2 5572 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [0,1,0,0,0,0|1,0,0]=2 5573 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [0,1,0,0,0,0|1,0,0]=2 5574 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [0,1,0,0,0,0|1,0,0]=2 5575 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [0,1,0,0,0,0|2,0,0]=3 5576 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [0,1,0,0,0,0|2,0,0]=3 5577 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [0,1,0,0,0,0|2,0,0]=3 5578 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [0,1,0,0,0,0|2,0,0]=3 5579 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [0,1,0,0,0,0|1,0,0]=2 5580 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [0,1,0,0,0,0|2,0,0]=3 5581 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [0,1,0,0,0,0|0,0,0]=1 5582 B10R0.71 CCCCNCOCCOC 2230a_100000102301_100000231047 [0,1,0,0,0,0|1,0,0]=2 5583 B10R0.71 CCCCNN=CCCSC 4a_100025702795_100000210997 [0,1,0,0,0,0|2,0,1]=4 5584 B10R0.71 CCCCOCCCCC#N 7a_100000210227_100000211819 [0,1,0,0,0,0|0,0,1]=2 5585 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [0,1,0,0,0,0|0,0,1]=2 5586 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [0,1,0,0,0,0|0,0,0]=1 5587 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [0,1,0,0,0,0|0,0,0]=1 5588 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [0,1,0,0,0,0|0,0,0]=1 5589 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [0,1,0,0,0,0|0,0,0]=1 5590 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [0,1,0,0,0,0|0,0,0]=1 5591 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [0,1,0,0,0,0|0,0,0]=1 5592 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [0,1,0,0,0,0|0,0,0]=1 5593 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [0,1,0,0,0,0|0,0,0]=1 5594 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [0,1,0,0,0,0|0,0,0]=1 5595 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [0,1,0,0,0,0|0,0,0]=1 5596 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [0,1,0,0,0,0|0,0,0]=1 5597 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [0,1,0,0,0,0|0,0,0]=1 5598 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [0,1,0,0,0,0|0,0,0]=1 5599 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [0,1,0,0,0,0|0,0,0]=1 5600 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [0,1,0,0,0,0|0,0,0]=1 5601 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [0,1,0,0,0,0|0,0,0]=1 5602 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [0,1,0,0,0,0|0,0,0]=1 5603 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [0,1,0,0,0,0|0,0,0]=1 5604 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [0,1,0,0,0,0|0,0,0]=1 5605 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [0,1,0,0,0,0|0,0,0]=1 5606 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [0,1,0,0,0,0|0,0,0]=1 5607 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [0,1,0,0,0,0|0,0,0]=1 5608 B10R0.71 CCCCOCCCNCF 34a_200000211371_100015361967 [0,1,0,0,0,0|1,0,0]=2 5609 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [0,1,0,0,0,0|0,0,0]=1 5610 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [0,1,0,0,0,0|0,0,0]=1 5611 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [0,1,0,0,0,0|0,0,0]=1 5612 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [0,1,0,0,0,0|0,0,0]=1 5613 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [0,1,0,0,0,0|0,0,0]=1 5614 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [0,1,0,0,0,0|0,0,0]=1 5615 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [0,1,0,0,0,0|1,0,0]=2 5616 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [0,1,0,0,0,0|1,0,0]=2 5617 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [0,1,0,0,0,0|0,0,0]=1 5618 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [0,1,0,0,0,0|0,0,0]=1 5619 B10R0.71 CCCCOCCNCCF 34a_100000724931_100000743108 [0,1,0,0,0,0|1,0,0]=2 5620 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [0,1,0,0,0,0|1,0,0]=2 5621 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [0,1,0,0,0,0|1,0,0]=2 5622 B10R0.71 CCCCOCCOCC#N 7a_100000210227_200000047693 [0,1,0,0,0,0|1,0,1]=3 5623 B10R0.71 CCCCOCCOCC#N 7a_100000210238_100011215382 [0,1,0,0,0,0|1,0,1]=3 5624 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [0,1,0,0,0,0|1,0,1]=3 5625 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [0,1,0,0,0,0|1,0,1]=3 5626 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [0,1,0,0,0,0|1,0,0]=2 5627 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [0,1,0,0,0,0|1,0,0]=2 5628 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [0,1,0,0,0,0|1,0,0]=2 5629 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [0,1,0,0,0,0|0,0,0]=1 5630 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [0,1,0,0,0,0|0,0,0]=1 5631 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [0,1,0,0,0,0|0,0,0]=1 5632 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [0,1,0,0,0,0|0,0,0]=1 5633 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [0,1,0,0,0,0|0,0,0]=1 5634 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [0,1,0,0,0,0|0,0,0]=1 5635 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [0,1,0,0,0,0|0,0,0]=1 5636 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [0,1,0,0,0,0|1,0,0]=2 5637 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [0,1,0,0,0,0|1,0,0]=2 5638 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [0,1,0,0,0,0|1,0,0]=2 5639 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [0,1,0,0,0,0|1,0,0]=2 5640 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [0,1,0,0,0,0|1,0,0]=2 5641 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [0,1,0,0,0,0|1,0,0]=2 5642 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [0,1,0,0,0,0|1,0,0]=2 5643 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [0,1,0,0,0,0|1,0,0]=2 5644 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [0,1,0,0,0,0|1,0,0]=2 5645 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [0,1,0,0,0,0|1,0,0]=2 5646 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [0,1,0,0,0,0|1,0,0]=2 5647 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [0,1,0,0,0,0|1,0,0]=2 5648 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [0,1,0,0,0,0|1,0,0]=2 5649 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [0,1,0,0,0,0|1,0,0]=2 5650 B10R0.71 CCCCOCCOCSC 34a_100000210238_100011218213 [0,1,0,0,0,0|1,0,0]=2 5651 B10R0.71 CCCCOCCSCC#N 62a_100000743108_100011215382 [0,1,0,0,0,0|1,0,1]=3 5652 B10R0.71 CCCCOCCSCC#N 62a_100011215382_100000743108 [0,1,0,0,0,0|1,0,1]=3 5653 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [0,1,0,0,0,0|1,0,1]=3 5654 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [0,1,0,0,0,0|1,0,1]=3 5655 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [0,1,0,0,0,0|0,0,0]=1 5656 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [0,1,0,0,0,0|0,0,0]=1 5657 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [0,1,0,0,0,0|0,0,0]=1 5658 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [0,1,0,0,0,0|0,0,0]=1 5659 B10R0.71 CCCCOCCSCCF 62a_100000743108_100011217306 [0,1,0,0,0,0|1,0,0]=2 5660 B10R0.71 CCCCOCCSCCF 62a_100011217306_100000743108 [0,1,0,0,0,0|1,0,0]=2 5661 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [0,1,0,0,0,0|1,0,0]=2 5662 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [0,1,0,0,0,0|1,0,0]=2 5663 B10R0.71 CCCCOCCSCOC 62a_100000743108_100000766300 [0,1,0,0,0,0|1,0,0]=2 5664 B10R0.71 CCCCOCCSCOC 62a_100000766300_100000743108 [0,1,0,0,0,0|1,0,0]=2 5665 B10R0.71 CCCCOCCSCSC 62a_100000743108_100011218213 [0,1,0,0,0,0|1,0,0]=2 5666 B10R0.71 CCCCOCCSCSC 62a_100011218213_100000743108 [0,1,0,0,0,0|1,0,0]=2 5667 B10R0.71 CCCCOCNCCCF 2230a_100015189416_100011995733 [0,1,0,0,0,0|1,0,0]=2 5668 B10R0.71 CCCCOCNCCCF 34a_100015189416_100011995733 [0,1,0,0,0,0|1,0,0]=2 5669 B10R0.71 CCCCOCNCCOC 2230a_100000209980_100011995733 [0,1,0,0,0,0|1,0,0]=2 5670 B10R0.71 CCCCOCNCCSC 2230a_100020590264_100011995733 [0,1,0,0,0,0|1,0,0]=2 5671 B10R0.71 CCCCOCOCCCBr 34a_100011217188_100011995733 [0,1,0,0,0,0|1,0,0]=2 5672 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [0,1,0,0,0,0|0,0,0]=1 5673 B10R0.71 CCCCOCOCCCCl 34a_100000230001_100011995733 [0,1,0,0,0,0|1,0,0]=2 5674 B10R0.71 CCCCOCOCCCF 34a_100000759539_100011995733 [0,1,0,0,0,0|1,0,0]=2 5675 B10R0.71 CCCCOCOCCCN 34a_100000182051_100011995733 [0,1,0,0,0,0|1,0,0]=2 5676 B10R0.71 CCCCOCOCCOC 34a_100000210237_100011995733 [0,1,0,0,0,0|1,0,0]=2 5677 B10R0.71 CCCCOCOCCON 34a_100000700252_100011995733 [0,1,0,0,0,0|2,0,0]=3 5678 B10R0.71 CCCCOCOCCSC 34a_100000230434_100011995733 [0,1,0,0,0,0|1,0,0]=2 5679 B10R0.71 CCCCOCSCCC#N 62a_100011215226_100011995733 [0,1,0,0,0,0|1,0,1]=3 5680 B10R0.71 CCCCOCSCCC#N 62a_100011995733_100011215226 [0,1,0,0,0,0|1,0,1]=3 5681 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [0,1,0,0,0,0|0,0,0]=1 5682 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [0,1,0,0,0,0|0,0,0]=1 5683 B10R0.71 CCCCOCSCCCF 62a_100011934791_100011995733 [0,1,0,0,0,0|1,0,0]=2 5684 B10R0.71 CCCCOCSCCCF 62a_100011995733_100011934791 [0,1,0,0,0,0|1,0,0]=2 5685 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [0,1,0,0,0,0|1,0,0]=2 5686 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [0,1,0,0,0,0|1,0,0]=2 5687 B10R0.71 CCCCOCSCCOC 62a_100000233755_100011995733 [0,1,0,0,0,0|1,0,0]=2 5688 B10R0.71 CCCCOCSCCOC 62a_100011995733_100000233755 [0,1,0,0,0,0|1,0,0]=2 5689 B10R0.71 CCCCOCSCCSC 62a_100000212216_100011995733 [0,1,0,0,0,0|1,0,0]=2 5690 B10R0.71 CCCCOCSCCSC 62a_100011995733_100000751147 [0,1,0,0,0,0|1,0,0]=2 5691 B10R0.71 CCCCOCSCOCC 62a_100000739092_100011995733 [0,1,0,0,0,0|1,0,0]=2 5692 B10R0.71 CCCCOCSCOCC 62a_100011995733_100000739092 [0,1,0,0,0,0|1,0,0]=2 5693 B10R0.71 CCCCOCSCSC#N 62a_100000211825_100011995733 [0,1,0,0,0,0|2,0,1]=4 5694 B10R0.71 CCCCOCSCSC#N 62a_100011995733_100000211825 [0,1,0,0,0,0|2,0,1]=4 5695 B10R0.71 CCCCSCCCCC#N 62a_100000210211_100000211819 [0,1,0,0,0,0|0,1,1]=3 5696 B10R0.71 CCCCSCCCCC#N 62a_100011219923_100000210210 [0,1,0,0,0,0|0,1,1]=3 5697 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [0,1,0,0,0,0|0,1,1]=3 5698 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [0,1,0,0,0,0|0,1,1]=3 5699 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [0,1,0,0,0,0|0,1,0]=2 5700 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [0,1,0,0,0,0|0,1,0]=2 5701 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [0,1,0,0,0,0|0,1,0]=2 5702 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [0,1,0,0,0,0|0,1,0]=2 5703 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [0,1,0,0,0,0|0,1,0]=2 5704 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [0,1,0,0,0,0|0,1,0]=2 5705 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [0,1,0,0,0,0|0,1,0]=2 5706 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [0,1,0,0,0,0|0,1,0]=2 5707 B10R0.71 CCCCSCCNCC#N 2230a_100025743550_100011215382 [0,1,0,0,0,0|1,1,1]=4 5708 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [0,1,0,0,0,0|1,1,1]=4 5709 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [0,1,0,0,0,0|0,1,0]=2 5710 B10R0.71 CCCCSCCNCCF 2230a_100025743550_100011217306 [0,1,0,0,0,0|1,1,0]=3 5711 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [0,1,0,0,0,0|1,1,0]=3 5712 B10R0.71 CCCCSCCNCOC 2230a_100025743550_100000766300 [0,1,0,0,0,0|1,1,0]=3 5713 B10R0.71 CCCCSCCNCSC 2230a_100025743550_100011218213 [0,1,0,0,0,0|1,1,0]=3 5714 B10R0.71 CCCCSCCOCC#N 62a_100000210211_200000047693 [0,1,0,0,0,0|1,1,1]=4 5715 B10R0.71 CCCCSCCOCC#N 62a_200000047693_100000210210 [0,1,0,0,0,0|1,1,1]=4 5716 B10R0.71 CCCCSCCOCC#N 7a_200000230436_100011215382 [0,1,0,0,0,0|1,1,1]=4 5717 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [0,1,0,0,0,0|1,1,1]=4 5718 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [0,1,0,0,0,0|1,1,1]=4 5719 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [0,1,0,0,0,0|0,1,0]=2 5720 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [0,1,0,0,0,0|0,1,0]=2 5721 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [0,1,0,0,0,0|0,1,0]=2 5722 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [0,1,0,0,0,0|0,1,0]=2 5723 B10R0.71 CCCCSCCOCCF 34a_200000230436_100011217306 [0,1,0,0,0,0|1,1,0]=3 5724 B10R0.71 CCCCSCCOCCF 7a_200000230436_100011217306 [0,1,0,0,0,0|1,1,0]=3 5725 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [0,1,0,0,0,0|1,1,0]=3 5726 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [0,1,0,0,0,0|1,1,0]=3 5727 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [0,1,0,0,0,0|1,1,0]=3 5728 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [0,1,0,0,0,0|1,1,0]=3 5729 B10R0.71 CCCCSCCOCSC 34a_200000230436_100011218213 [0,1,0,0,0,0|1,1,0]=3 5730 B10R0.71 CCCCSCOCCOC 62a_100000210211_100000231047 [0,1,0,0,0,0|1,0,0]=2 5731 B10R0.71 CCCCSCOCCOC 62a_100000231047_100000210210 [0,1,0,0,0,0|1,0,0]=2 5732 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [0,1,0,0,0,0|2,0,0]=3 5733 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [0,1,0,0,0,0|2,0,0]=3 5734 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [0,1,0,0,0,0|2,0,0]=3 5735 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [0,1,0,0,0,0|2,0,0]=3 5736 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [0,1,0,0,0,0|2,0,0]=3 5737 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [0,1,0,0,0,0|2,0,0]=3 5738 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [0,1,0,0,0,0|1,0,0]=2 5739 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [0,1,0,0,0,0|1,0,0]=2 5740 B10R0.71 CCCNN=CCCCCO 4a_100000740057_100000031955 [0,1,0,0,0,0|2,0,1]=4 5741 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [0,1,0,0,0,0|2,0,0]=3 5742 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [0,1,0,0,0,0|2,0,0]=3 5743 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [0,1,0,0,0,0|2,0,0]=3 5744 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [0,1,0,0,0,0|2,0,0]=3 5745 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [0,1,0,0,0,0|2,0,0]=3 5746 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [0,1,0,0,0,0|2,0,0]=3 5747 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [0,1,0,0,0,0|2,0,0]=3 5748 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [0,1,0,0,0,0|2,0,0]=3 5749 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [0,1,0,0,0,0|2,0,0]=3 5750 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [0,1,0,0,0,0|2,0,0]=3 5751 B10R0.71 CCCOCCCNCCF 2230a_100011217757_100011217306 [0,1,0,0,0,0|3,0,0]=4 5752 B10R0.71 CCCOCCCNCCF 34a_100011217757_100011217306 [0,1,0,0,0,0|3,0,0]=4 5753 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [0,1,0,0,0,0|3,0,0]=4 5754 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [0,1,0,0,0,0|3,0,0]=4 5755 B10R0.71 CCCOCCCNCOC 2230a_100011217757_100000766300 [0,1,0,0,0,0|3,0,0]=4 5756 B10R0.71 CCCOCCCNCSC 2230a_100011217757_100011218213 [0,1,0,0,0,0|3,0,0]=4 5757 B10R0.71 CCCOCCCNCSC 34a_100011217757_100011218213 [0,1,0,0,0,0|3,0,0]=4 5758 B10R0.71 CCCOCCNCCC#N 2230a_100161115042_100011215226 [0,1,0,0,0,0|2,0,1]=4 5759 B10R0.71 CCCOCCNCCCF 2230a_100015189416_100011215938 [0,1,0,0,0,0|2,0,0]=3 5760 B10R0.71 CCCOCCNCCCF 2230a_100161115042_100011934791 [0,1,0,0,0,0|2,0,0]=3 5761 B10R0.71 CCCOCCNCCCF 34a_100015189416_100011215938 [0,1,0,0,0,0|2,0,0]=3 5762 B10R0.71 CCCOCCNCCCF 34a_100161115042_100011934791 [0,1,0,0,0,0|2,0,0]=3 5763 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [0,1,0,0,0,0|2,0,0]=3 5764 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [0,1,0,0,0,0|2,0,0]=3 5765 B10R0.71 CCCOCCNCCOC 2230a_100000209980_100011215938 [0,1,0,0,0,0|2,0,0]=3 5766 B10R0.71 CCCOCCNCCOC 2230a_100161115042_100011201679 [0,1,0,0,0,0|2,0,0]=3 5767 B10R0.71 CCCOCCNCCOC 34a_100161115042_100011201679 [0,1,0,0,0,0|2,0,0]=3 5768 B10R0.71 CCCOCCNCCSC 2230a_100020590264_100011215938 [0,1,0,0,0,0|2,0,0]=3 5769 B10R0.71 CCCOCCNCCSC 2230a_100161115042_100000751147 [0,1,0,0,0,0|2,0,0]=3 5770 B10R0.71 CCCOCCNCCSC 34a_100161115042_100000212216 [0,1,0,0,0,0|2,0,0]=3 5771 B10R0.71 CCCOCCOCCC#N 7a_100000752267_100000184422 [0,1,0,0,0,0|1,0,1]=3 5772 B10R0.71 CCCOCCOCCCBr 34a_100011217188_100011215938 [0,1,0,0,0,0|1,0,0]=2 5773 B10R0.71 CCCOCCOCCCCl 34a_100000230001_100011215938 [0,1,0,0,0,0|1,0,0]=2 5774 B10R0.71 CCCOCCOCCCF 34a_100000752267_100011934791 [0,1,0,0,0,0|1,0,0]=2 5775 B10R0.71 CCCOCCOCCCF 34a_100000759539_100011215938 [0,1,0,0,0,0|1,0,0]=2 5776 B10R0.71 CCCOCCOCCCF 7a_100000752267_100011934791 [0,1,0,0,0,0|1,0,0]=2 5777 B10R0.71 CCCOCCOCCCN 34a_100000182051_100011215938 [0,1,0,0,0,0|1,0,0]=2 5778 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [0,1,0,0,0,0|1,0,0]=2 5779 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [0,1,0,0,0,0|1,0,0]=2 5780 B10R0.71 CCCOCCOCCNC 2230a_200011904461_200000210301 [0,1,0,0,0,0|1,0,0]=2 5781 B10R0.71 CCCOCCOCCNC 34a_100000228057_100000210303 [0,1,0,0,0,0|1,0,0]=2 5782 B10R0.71 CCCOCCOCCNC 34a_200011904461_200000210301 [0,1,0,0,0,0|1,0,0]=2 5783 B10R0.71 CCCOCCOCCN[13CH3] 2230a_200011904461_200025704644 [0,1,0,0,0,0|1,0,0]=2 5784 B10R0.71 CCCOCCOCCN[13CH3] 34a_200011904461_200025704644 [0,1,0,0,0,0|1,0,0]=2 5785 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [0,1,0,0,0,0|1,0,0]=2 5786 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [0,1,0,0,0,0|1,0,0]=2 5787 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [0,1,0,0,0,0|1,0,0]=2 5788 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [0,1,0,0,0,0|1,0,0]=2 5789 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [0,1,0,0,0,0|1,0,0]=2 5790 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [0,1,0,0,0,0|1,0,0]=2 5791 B10R0.71 CCCOCCOCCON 34a_100000700252_100011215938 [0,1,0,0,0,0|2,0,0]=3 5792 B10R0.71 CCCOCCOCCSC 34a_100000230434_100011215938 [0,1,0,0,0,0|1,0,0]=2 5793 B10R0.71 CCCOCCOCCSC 34a_100000752267_100000212216 [0,1,0,0,0,0|1,0,0]=2 5794 B10R0.71 CCCOCCOCCSC 7a_100000230434_100011215938 [0,1,0,0,0,0|1,0,0]=2 5795 B10R0.71 CCCOCCOCCSC 7a_100000752267_100000212216 [0,1,0,0,0,0|1,0,0]=2 5796 B10R0.71 CCCOCCSCCC#N 62a_100011215226_100011215938 [0,1,0,0,0,0|1,1,1]=4 5797 B10R0.71 CCCOCCSCCC#N 62a_100011215938_100011215226 [0,1,0,0,0,0|1,1,1]=4 5798 B10R0.71 CCCOCCSCCCF 62a_100011215938_100011934791 [0,1,0,0,0,0|1,1,0]=3 5799 B10R0.71 CCCOCCSCCCF 62a_100011934791_100011215938 [0,1,0,0,0,0|1,1,0]=3 5800 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [0,1,0,0,0,0|1,1,0]=3 5801 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [0,1,0,0,0,0|1,1,0]=3 5802 B10R0.71 CCCOCCSCCOC 62a_100000233755_100011215938 [0,1,0,0,0,0|1,1,0]=3 5803 B10R0.71 CCCOCCSCCOC 62a_100011215938_100000233755 [0,1,0,0,0,0|1,1,0]=3 5804 B10R0.71 CCCOCCSCCSC 62a_100000212216_100011215938 [0,1,0,0,0,0|1,1,0]=3 5805 B10R0.71 CCCOCCSCCSC 62a_100011215938_100000751147 [0,1,0,0,0,0|1,1,0]=3 5806 B10R0.71 CCCOCCSCOCC 62a_100000739092_100011215938 [0,1,0,0,0,0|1,1,0]=3 5807 B10R0.71 CCCOCCSCOCC 62a_100011215938_100000739092 [0,1,0,0,0,0|1,1,0]=3 5808 B10R0.71 CCCSCCCCCC#N 62a_100000210303_100009813376 [0,1,0,0,0,0|2,0,1]=4 5809 B10R0.71 CCCSCCCCCC#N 62a_100009813376_100000210303 [0,1,0,0,0,0|2,0,1]=4 5810 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [0,1,0,0,0,0|2,0,1]=4 5811 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [0,1,0,0,0,0|2,0,1]=4 5812 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [0,1,0,0,0,0|2,0,0]=3 5813 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [0,1,0,0,0,0|2,0,0]=3 5814 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [0,1,0,0,0,0|2,0,0]=3 5815 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [0,1,0,0,0,0|2,0,0]=3 5816 B10R0.71 CCCSCCNCCC#N 2230a_100020603323_100011215226 [0,1,0,0,0,0|2,0,1]=4 5817 B10R0.71 CCCSCCNCCCF 2230a_100020603323_100011934791 [0,1,0,0,0,0|2,0,0]=3 5818 B10R0.71 CCCSCCNCCCO 2230a_100020603323_100000230001 [0,1,0,0,0,0|2,0,0]=3 5819 B10R0.71 CCCSCCNCCOC 2230a_100020603323_100011201679 [0,1,0,0,0,0|2,0,0]=3 5820 B10R0.71 CCCSCCNCCSC 2230a_100020603323_100000751147 [0,1,0,0,0,0|2,0,0]=3 5821 B10R0.71 CCCSCCOCCC#N 7a_200000230433_100000184422 [0,1,0,0,0,0|1,0,1]=3 5822 B10R0.71 CCCSCCOCCCF 34a_200000230433_100011934791 [0,1,0,0,0,0|1,0,0]=2 5823 B10R0.71 CCCSCCOCCCF 7a_200000230433_100011934791 [0,1,0,0,0,0|1,0,0]=2 5824 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [0,1,0,0,0,0|1,0,0]=2 5825 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [0,1,0,0,0,0|1,0,0]=2 5826 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [0,1,0,0,0,0|1,0,0]=2 5827 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [0,1,0,0,0,0|1,0,0]=2 5828 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [0,1,0,0,0,0|1,0,0]=2 5829 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [0,1,0,0,0,0|1,0,0]=2 5830 B10R0.71 CCCSCCOCCSC 34a_200000230433_100000212216 [0,1,0,0,0,0|1,0,0]=2 5831 B10R0.71 CCCSCCOCCSC 7a_200000230433_100000212216 [0,1,0,0,0,0|1,0,0]=2 5832 B10R0.71 CCNCCCCCCC#N 2230a_100015525214_100009813337 [0,1,0,0,0,0|2,0,1]=4 5833 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [0,1,0,0,0,0|2,0,0]=3 5834 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [0,1,0,0,0,0|2,0,0]=3 5835 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [0,1,0,0,0,0|2,0,0]=3 5836 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [0,1,0,0,0,0|2,0,0]=3 5837 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [0,1,0,0,0,0|1,0,0]=2 5838 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [0,1,0,0,0,0|1,0,0]=2 5839 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [0,1,0,0,0,0|1,0,0]=2 5840 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [0,1,0,0,0,0|1,0,0]=2 5841 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [0,1,0,0,0,0|1,0,0]=2 5842 B10R0.71 CCNCCOCCN=[N+]=[N-] 2230a_100102953956_100000210202 [0,1,0,0,0,0|3,0,0]=4 5843 B10R0.71 CCNCCOCCOCC 2230a_100015525214_100011211534 [0,1,0,0,0,0|1,0,0]=2 5844 B10R0.71 CCNCCOCCOCC 2230a_100102712874_100000210202 [0,1,0,0,0,0|1,0,0]=2 5845 B10R0.71 CCNCCOCCOCC 34a_100102712874_100000210202 [0,1,0,0,0,0|1,0,0]=2 5846 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [0,1,0,0,0,0|2,0,0]=3 5847 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [0,1,0,0,0,0|2,0,0]=3 5848 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [0,1,0,0,0,0|2,0,0]=3 5849 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [0,1,0,0,0,0|2,0,0]=3 5850 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [0,1,0,0,0,0|2,0,0]=3 5851 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [0,1,0,0,0,0|2,0,0]=3 5852 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [0,1,0,0,0,0|2,0,0]=3 5853 B10R0.71 CCOCCCNCCC#N 2230a_100000210961_100011215226 [0,1,0,0,0,0|2,0,1]=4 5854 B10R0.71 CCOCCCNCCCF 2230a_100000210961_100011934791 [0,1,0,0,0,0|2,0,0]=3 5855 B10R0.71 CCOCCCNCCCF 2230a_100015189416_100012232248 [0,1,0,0,0,0|2,0,0]=3 5856 B10R0.71 CCOCCCNCCCF 34a_100000210961_100011934791 [0,1,0,0,0,0|2,0,0]=3 5857 B10R0.71 CCOCCCNCCCF 34a_100015189416_100012232248 [0,1,0,0,0,0|2,0,0]=3 5858 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [0,1,0,0,0,0|2,0,0]=3 5859 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [0,1,0,0,0,0|2,0,0]=3 5860 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [0,1,0,0,0,0|2,0,0]=3 5861 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [0,1,0,0,0,0|2,0,0]=3 5862 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [0,1,0,0,0,0|2,0,0]=3 5863 B10R0.71 CCOCCCNCCSC 2230a_100000210961_100000751147 [0,1,0,0,0,0|2,0,0]=3 5864 B10R0.71 CCOCCCNCCSC 2230a_100020590264_100012232248 [0,1,0,0,0,0|2,0,0]=3 5865 B10R0.71 CCOCCCNCCSC 34a_100000210961_100000212216 [0,1,0,0,0,0|2,0,0]=3 5866 B10R0.71 CCOCCCOCCC#N 7a_100000757476_100000184422 [0,1,0,0,0,0|1,0,1]=3 5867 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [0,1,0,0,0,0|1,0,0]=2 5868 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [0,1,0,0,0,0|1,0,0]=2 5869 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [0,1,0,0,0,0|1,0,0]=2 5870 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [0,1,0,0,0,0|1,0,0]=2 5871 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [0,1,0,0,0,0|1,0,0]=2 5872 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [0,1,0,0,0,0|1,0,0]=2 5873 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [0,1,0,0,0,0|1,0,0]=2 5874 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [0,1,0,0,0,0|1,0,0]=2 5875 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [0,1,0,0,0,0|1,0,0]=2 5876 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [0,1,0,0,0,0|1,0,0]=2 5877 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [0,1,0,0,0,0|1,0,0]=2 5878 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [0,1,0,0,0,0|1,0,0]=2 5879 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [0,1,0,0,0,0|1,0,0]=2 5880 B10R0.71 CCOCCCOCCON 34a_100000700252_100012232248 [0,1,0,0,0,0|2,0,0]=3 5881 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [0,1,0,0,0,0|1,0,0]=2 5882 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [0,1,0,0,0,0|1,0,0]=2 5883 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [0,1,0,0,0,0|1,0,0]=2 5884 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [0,1,0,0,0,0|1,0,0]=2 5885 B10R0.71 CCOCCCSCCC#N 62a_100011215226_100012232248 [0,1,0,0,0,0|1,1,1]=4 5886 B10R0.71 CCOCCCSCCC#N 62a_100012232248_100011215226 [0,1,0,0,0,0|1,1,1]=4 5887 B10R0.71 CCOCCCSCCCF 62a_100011934791_100012232248 [0,1,0,0,0,0|1,1,0]=3 5888 B10R0.71 CCOCCCSCCCF 62a_100012232248_100011934791 [0,1,0,0,0,0|1,1,0]=3 5889 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [0,1,0,0,0,0|1,1,0]=3 5890 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [0,1,0,0,0,0|1,1,0]=3 5891 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [0,1,0,0,0,0|1,1,0]=3 5892 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [0,1,0,0,0,0|1,1,0]=3 5893 B10R0.71 CCOCCCSCCSC 62a_100000212216_100012232248 [0,1,0,0,0,0|1,1,0]=3 5894 B10R0.71 CCOCCCSCCSC 62a_100012232248_100000751147 [0,1,0,0,0,0|1,1,0]=3 5895 B10R0.71 CCOCCCSCOCC 62a_100000739092_100012232248 [0,1,0,0,0,0|1,1,0]=3 5896 B10R0.71 CCOCCCSCOCC 62a_100012232248_100000739092 [0,1,0,0,0,0|1,1,0]=3 5897 B10R0.71 CCOCCNCCCC#N 2230a_102516460346_100000687738 [0,1,0,0,0,0|2,0,1]=4 5898 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [0,1,0,0,0,0|2,0,1]=4 5899 B10R0.71 CCOCCNCCCCF 2230a_102516460346_100000729493 [0,1,0,0,0,0|2,0,0]=3 5900 B10R0.71 CCOCCNCCCCF 34a_102516460346_100000729493 [0,1,0,0,0,0|2,0,0]=3 5901 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [0,1,0,0,0,0|2,0,0]=3 5902 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [0,1,0,0,0,0|2,0,0]=3 5903 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [0,1,0,0,0,0|2,0,0]=3 5904 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [0,1,0,0,0,0|2,0,0]=3 5905 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [0,1,0,0,0,0|2,0,0]=3 5906 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [0,1,0,0,0,0|2,0,0]=3 5907 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [0,1,0,0,0,0|2,0,0]=3 5908 B10R0.71 CCOCCNCCCSC 2230a_100000749238_100011215890 [0,1,0,0,0,0|2,0,0]=3 5909 B10R0.71 CCOCCNCCOCC 2230a_102516460346_100011215890 [0,1,0,0,0,0|2,0,0]=3 5910 B10R0.71 CCOCCNCCOCC 34a_102516460346_100000210147 [0,1,0,0,0,0|2,0,0]=3 5911 B10R0.71 CCOCCNCCSCC 2230a_100000106463_100011215890 [0,1,0,0,0,0|2,0,0]=3 5912 B10R0.71 CCOCCNCCSCC 2230a_102516460346_100000757381 [0,1,0,0,0,0|2,0,0]=3 5913 B10R0.71 CCOCCNCCSCC 34a_102516460346_100000757381 [0,1,0,0,0,0|2,0,0]=3 5914 B10R0.71 CCOCCOCC#CCCl 34a_200000047223_100000210147 [0,1,0,0,0,0|1,0,2]=4 5915 B10R0.71 CCOCCOCC#CCO 34a_100000210136_200000047223 [0,1,0,0,0,0|1,0,2]=4 5916 B10R0.71 CCOCCOCC#CCO 7a_100000210136_200000047223 [0,1,0,0,0,0|1,0,2]=4 5917 B10R0.71 CCOCCOCCCC#N 7a_100000210136_100000687738 [0,1,0,0,0,0|1,0,1]=3 5918 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [0,1,0,0,0,0|1,0,1]=3 5919 B10R0.71 CCOCCOCCCCBr 34a_100011216708_100000210147 [0,1,0,0,0,0|1,0,0]=2 5920 B10R0.71 CCOCCOCCCCCl 34a_100000210776_100000210147 [0,1,0,0,0,0|1,0,0]=2 5921 B10R0.71 CCOCCOCCCCCl 7a_100000210776_100011215890 [0,1,0,0,0,0|1,0,0]=2 5922 B10R0.71 CCOCCOCCCCF 34a_100000210136_100000729493 [0,1,0,0,0,0|1,0,0]=2 5923 B10R0.71 CCOCCOCCCCF 34a_100011995726_100000210147 [0,1,0,0,0,0|1,0,0]=2 5924 B10R0.71 CCOCCOCCCCF 7a_100000210136_100000729493 [0,1,0,0,0,0|1,0,0]=2 5925 B10R0.71 CCOCCOCCCCF 7a_100011995726_100011215890 [0,1,0,0,0,0|1,0,0]=2 5926 B10R0.71 CCOCCOCCCCI 34a_200012148704_100000210147 [0,1,0,0,0,0|1,0,0]=2 5927 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [0,1,0,0,0,0|1,0,0]=2 5928 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [0,1,0,0,0,0|1,0,0]=2 5929 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [0,1,0,0,0,0|1,0,0]=2 5930 B10R0.71 CCOCCOCCCNC 34a_100000213112_100000210147 [0,1,0,0,0,0|1,0,0]=2 5931 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [0,1,0,0,0,0|1,0,0]=2 5932 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [0,1,0,0,0,0|1,0,0]=2 5933 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [0,1,0,0,0,0|1,0,0]=2 5934 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [0,1,0,0,0,0|1,0,0]=2 5935 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [0,1,0,0,0,0|1,0,0]=2 5936 B10R0.71 CCOCCOCCNCF 34a_100102712874_100015361967 [0,1,0,0,0,0|2,0,0]=3 5937 B10R0.71 CCOCCOCCOCC 34a_100000210136_100000210147 [0,1,0,0,0,0|1,0,0]=2 5938 B10R0.71 CCOCCOCCOCC 34a_100000210240_100000210202 [0,1,0,0,0,0|1,0,0]=2 5939 B10R0.71 CCOCCOCCOCC 34a_100121572206_100011211534 [0,1,0,0,0,0|1,0,0]=2 5940 B10R0.71 CCOCCOCCOCC 7a_100000210136_100011215890 [0,1,0,0,0,0|1,0,0]=2 5941 B10R0.71 CCOCCOCCOCC 7a_100000210240_100000210202 [0,1,0,0,0,0|1,0,0]=2 5942 B10R0.71 CCOCCOCCOCF 34a_100000210240_100015361967 [0,1,0,0,0,0|2,0,0]=3 5943 B10R0.71 CCOCCOCCOCF 7a_100000210240_100015361967 [0,1,0,0,0,0|2,0,0]=3 5944 B10R0.71 CCOCCOCCSCC 34a_100000210136_100000757381 [0,1,0,0,0,0|1,0,0]=2 5945 B10R0.71 CCOCCOCCSCC 34a_100000212035_100000210147 [0,1,0,0,0,0|1,0,0]=2 5946 B10R0.71 CCOCCOCCSCC 62a_100000210202_100011211534 [0,1,0,0,0,0|1,0,0]=2 5947 B10R0.71 CCOCCOCCSCC 62a_100011211534_100000210202 [0,1,0,0,0,0|1,0,0]=2 5948 B10R0.71 CCOCCOCCSCC 7a_100000210136_100000757381 [0,1,0,0,0,0|1,0,0]=2 5949 B10R0.71 CCOCCOCCSCC 7a_100000212035_100011215890 [0,1,0,0,0,0|1,0,0]=2 5950 B10R0.71 CCOCCOCCSCF 62a_100011211534_100015361967 [0,1,0,0,0,0|2,0,0]=3 5951 B10R0.71 CCOCCOCCSCF 62a_100015361967_100011211534 [0,1,0,0,0,0|2,0,0]=3 5952 B10R0.71 CCOCCSCCCC#N 62a_100000210147_100000687738 [0,1,0,0,0,0|1,1,1]=4 5953 B10R0.71 CCOCCSCCCC#N 62a_100000687738_100011215890 [0,1,0,0,0,0|1,1,1]=4 5954 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [0,1,0,0,0,0|1,1,1]=4 5955 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [0,1,0,0,0,0|1,1,1]=4 5956 B10R0.71 CCOCCSCCCCF 62a_100000210147_100000729493 [0,1,0,0,0,0|1,1,0]=3 5957 B10R0.71 CCOCCSCCCCF 62a_100000729493_100011215890 [0,1,0,0,0,0|1,1,0]=3 5958 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [0,1,0,0,0,0|1,1,0]=3 5959 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [0,1,0,0,0,0|1,1,0]=3 5960 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [0,1,0,0,0,0|1,1,0]=3 5961 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [0,1,0,0,0,0|1,1,0]=3 5962 B10R0.71 CCOCCSCCOCC 62a_100000210147_100011215890 [0,1,0,0,0,0|1,1,0]=3 5963 B10R0.71 CCOCCSCCSCC 62a_100000210147_100000757381 [0,1,0,0,0,0|1,1,0]=3 5964 B10R0.71 CCOCCSCCSCC 62a_100000757381_100011215890 [0,1,0,0,0,0|1,1,0]=3 5965 B10R0.71 CCOCSCCCCC#N 62a_100000739092_100000211819 [0,1,0,0,0,0|1,1,1]=4 5966 B10R0.71 CCOCSCCCCC#N 62a_100011219923_100000739092 [0,1,0,0,0,0|1,1,1]=4 5967 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [0,1,0,0,0,0|1,1,1]=4 5968 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [0,1,0,0,0,0|1,1,1]=4 5969 B10R0.71 CCOCSCCCCCF 62a_100000729378_100000739092 [0,1,0,0,0,0|1,1,0]=3 5970 B10R0.71 CCOCSCCCCCF 62a_100000739092_100000729378 [0,1,0,0,0,0|1,1,0]=3 5971 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [0,1,0,0,0,0|1,1,0]=3 5972 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [0,1,0,0,0,0|1,1,0]=3 5973 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [0,1,0,0,0,0|1,1,0]=3 5974 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [0,1,0,0,0,0|1,1,0]=3 5975 B10R0.71 CCOCSCCOCCO 62a_100000739092_100011215305 [0,1,0,0,0,0|2,1,0]=4 5976 B10R0.71 CCOCSCCOCCO 62a_100011215305_100000739092 [0,1,0,0,0,0|2,1,0]=4 5977 B10R0.71 CCOCSCOCCOC 62a_100000231047_100000739092 [0,1,0,0,0,0|2,0,0]=3 5978 B10R0.71 CCOCSCOCCOC 62a_100000739092_100000231047 [0,1,0,0,0,0|2,0,0]=3 5979 B10R0.71 CCSCCCCCCC#N 62a_100000210202_100009813337 [0,1,0,0,0,0|2,0,1]=4 5980 B10R0.71 CCSCCCCCCC#N 62a_100009813337_100000210202 [0,1,0,0,0,0|2,0,1]=4 5981 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [0,1,0,0,0,0|2,0,0]=3 5982 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [0,1,0,0,0,0|2,0,0]=3 5983 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [0,1,0,0,0,0|2,0,0]=3 5984 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [0,1,0,0,0,0|2,0,0]=3 5985 B10R0.71 CCSCCCOCCC#N 7a_100011216438_100000184422 [0,1,0,0,0,0|1,0,1]=3 5986 B10R0.71 CCSCCCOCCCF 34a_100011216438_100011934791 [0,1,0,0,0,0|1,0,0]=2 5987 B10R0.71 CCSCCCOCCCF 7a_100011216438_100011934791 [0,1,0,0,0,0|1,0,0]=2 5988 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [0,1,0,0,0,0|1,0,0]=2 5989 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [0,1,0,0,0,0|1,0,0]=2 5990 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [0,1,0,0,0,0|1,0,0]=2 5991 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [0,1,0,0,0,0|1,0,0]=2 5992 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [0,1,0,0,0,0|1,0,0]=2 5993 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [0,1,0,0,0,0|1,0,0]=2 5994 B10R0.71 CCSCCCOCCSC 34a_100011216438_100000212216 [0,1,0,0,0,0|1,0,0]=2 5995 B10R0.71 CCSCCCOCCSC 7a_100011216438_100000212216 [0,1,0,0,0,0|1,0,0]=2 5996 B10R0.71 CCSCCNCCCC#N 2230a_100000106463_100000687738 [0,1,0,0,0,0|2,0,1]=4 5997 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [0,1,0,0,0,0|2,0,1]=4 5998 B10R0.71 CCSCCNCCCCF 2230a_100000106463_100000729493 [0,1,0,0,0,0|2,0,0]=3 5999 B10R0.71 CCSCCNCCCCO 2230a_100000106463_100000210776 [0,1,0,0,0,0|2,0,0]=3 6000 B10R0.71 CCSCCNCCCCO 2230a_100000750430_100000757381 [0,1,0,0,0,0|2,0,0]=3 6001 B10R0.71 CCSCCNCCCCO 34a_100000750430_100000757381 [0,1,0,0,0,0|2,0,0]=3 6002 B10R0.71 CCSCCNCCCOC 2230a_100000106463_100000740836 [0,1,0,0,0,0|2,0,0]=3 6003 B10R0.71 CCSCCNCCCOC 34a_100150723488_100000757381 [0,1,0,0,0,0|2,0,0]=3 6004 B10R0.71 CCSCCNCCCSC 2230a_100000749238_100000757381 [0,1,0,0,0,0|2,0,0]=3 6005 B10R0.71 CCSCCNCCSCC 2230a_100000106463_100000757381 [0,1,0,0,0,0|2,0,0]=3 6006 B10R0.71 CCSCCOCC#CCCl 34a_200000047223_100000757381 [0,1,0,0,0,0|1,0,2]=4 6007 B10R0.71 CCSCCOCC#CCO 34a_100000212035_200000047223 [0,1,0,0,0,0|1,0,2]=4 6008 B10R0.71 CCSCCOCC#CCO 7a_100000212035_200000047223 [0,1,0,0,0,0|1,0,2]=4 6009 B10R0.71 CCSCCOCCCC#N 7a_100000212035_100000687738 [0,1,0,0,0,0|1,0,1]=3 6010 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [0,1,0,0,0,0|1,0,1]=3 6011 B10R0.71 CCSCCOCCCCBr 34a_100011216708_100000757381 [0,1,0,0,0,0|1,0,0]=2 6012 B10R0.71 CCSCCOCCCCCl 34a_100000210776_100000757381 [0,1,0,0,0,0|1,0,0]=2 6013 B10R0.71 CCSCCOCCCCCl 7a_100000210776_100000757381 [0,1,0,0,0,0|1,0,0]=2 6014 B10R0.71 CCSCCOCCCCF 34a_100000212035_100000729493 [0,1,0,0,0,0|1,0,0]=2 6015 B10R0.71 CCSCCOCCCCF 34a_100011995726_100000757381 [0,1,0,0,0,0|1,0,0]=2 6016 B10R0.71 CCSCCOCCCCF 7a_100000212035_100000729493 [0,1,0,0,0,0|1,0,0]=2 6017 B10R0.71 CCSCCOCCCCF 7a_100011995726_100000757381 [0,1,0,0,0,0|1,0,0]=2 6018 B10R0.71 CCSCCOCCCCI 34a_200012148704_100000757381 [0,1,0,0,0,0|1,0,0]=2 6019 B10R0.71 CCSCCOCCCCN 34a_100000750430_100000757381 [0,1,0,0,0,0|1,0,0]=2 6020 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [0,1,0,0,0,0|1,0,0]=2 6021 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [0,1,0,0,0,0|1,0,0]=2 6022 B10R0.71 CCSCCOCCCNC 34a_100000213112_100000757381 [0,1,0,0,0,0|1,0,0]=2 6023 B10R0.71 CCSCCOCCCOC 34a_100000212035_100000740836 [0,1,0,0,0,0|1,0,0]=2 6024 B10R0.71 CCSCCOCCCOC 34a_100000740835_100000757381 [0,1,0,0,0,0|1,0,0]=2 6025 B10R0.71 CCSCCOCCCOC 7a_100000212035_100000740836 [0,1,0,0,0,0|1,0,0]=2 6026 B10R0.71 CCSCCOCCCSC 34a_100000690336_100000757381 [0,1,0,0,0,0|1,0,0]=2 6027 B10R0.71 CCSCCOCCCSC 7a_100000690336_100000757381 [0,1,0,0,0,0|1,0,0]=2 6028 B10R0.71 CCSCCOCCSCC 34a_100000212035_100000757381 [0,1,0,0,0,0|1,0,0]=2 6029 B10R0.71 CCSCCOCCSCC 7a_100000212035_100000757381 [0,1,0,0,0,0|1,0,0]=2 6030 B10R0.71 CCSCCSCCCC#N 62a_100000687738_100000757381 [0,1,0,0,0,0|1,1,1]=4 6031 B10R0.71 CCSCCSCCCC#N 62a_100000757381_100000687738 [0,1,0,0,0,0|1,1,1]=4 6032 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [0,1,0,0,0,0|1,1,1]=4 6033 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [0,1,0,0,0,0|1,1,1]=4 6034 B10R0.71 CCSCCSCCCCF 62a_100000729493_100000757381 [0,1,0,0,0,0|1,1,0]=3 6035 B10R0.71 CCSCCSCCCCF 62a_100000757381_100000729493 [0,1,0,0,0,0|1,1,0]=3 6036 B10R0.71 CCSCCSCCCCO 62a_100000210776_100000757381 [0,1,0,0,0,0|1,1,0]=3 6037 B10R0.71 CCSCCSCCCCO 62a_100000757381_100000210776 [0,1,0,0,0,0|1,1,0]=3 6038 B10R0.71 CCSCCSCCCOC 62a_100000709357_100000757381 [0,1,0,0,0,0|1,1,0]=3 6039 B10R0.71 CCSCCSCCCOC 62a_100000757381_100000709357 [0,1,0,0,0,0|1,1,0]=3 6040 B10R0.71 CCSCCSCCSCC 62a_100000757381_100000757381 [0,1,0,0,0,0|1,1,0]=3 6041 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [0,1,0,0,0,0|2,0,0]=3 6042 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [0,1,0,0,0,0|2,0,0]=3 6043 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [0,1,0,0,0,0|2,0,0]=3 6044 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [0,1,0,0,0,0|2,0,0]=3 6045 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [0,1,0,0,0,0|2,0,0]=3 6046 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [0,1,0,0,0,0|3,0,0]=4 6047 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [0,1,0,0,0,0|3,0,0]=4 6048 B10R0.71 CNCCCCCOCSC 34a_100000722520_100011218213 [0,1,0,0,0,0|3,0,0]=4 6049 B10R0.71 CNCCCOCC#CCO 34a_100000213112_200000047223 [0,1,0,0,0,0|1,0,2]=4 6050 B10R0.71 CNCCCOCCCCF 34a_100000213112_100000729493 [0,1,0,0,0,0|1,0,0]=2 6051 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [0,1,0,0,0,0|1,0,0]=2 6052 B10R0.71 CNCCCOCCCOC 34a_100000213112_100000740836 [0,1,0,0,0,0|1,0,0]=2 6053 B10R0.71 CNCCOCCOCC=O 34a_100000228057_200009817547 [0,1,0,0,0,0|2,0,1]=4 6054 B10R0.71 CNCCOCCOCCF 34a_100000228057_100011217306 [0,1,0,0,0,0|2,0,0]=3 6055 B10R0.71 CNCCOCCOCCO 2230a_100011998139_200000210301 [0,1,0,0,0,0|2,0,0]=3 6056 B10R0.71 CNCCOCCOCCO 2230a_106832991635_100000032323 [0,1,0,0,0,0|2,0,0]=3 6057 B10R0.71 CNCCOCCOCCO 34a_100000228057_100000211926 [0,1,0,0,0,0|2,0,0]=3 6058 B10R0.71 CNCCOCCOCCO 34a_100011998139_200000210301 [0,1,0,0,0,0|2,0,0]=3 6059 B10R0.71 CNCCOCCOCCO 34a_100102657272_100000032323 [0,1,0,0,0,0|2,0,0]=3 6060 B10R0.71 CNCCOCCOCCO 7a_106832991635_100000032323 [0,1,0,0,0,0|2,0,0]=3 6061 B10R0.71 CNCCOCCOCSC 34a_100000228057_100011218213 [0,1,0,0,0,0|2,0,0]=3 6062 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [0,1,0,0,0,0|2,0,0]=3 6063 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [0,1,0,0,0,0|2,0,0]=3 6064 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [0,1,0,0,0,0|2,0,0]=3 6065 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [0,1,0,0,0,0|2,0,0]=3 6066 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [0,1,0,0,0,0|2,0,0]=3 6067 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [0,1,0,0,0,0|2,0,0]=3 6068 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [0,1,0,0,0,0|3,0,0]=4 6069 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [0,1,0,0,0,0|3,0,0]=4 6070 B10R0.71 COCCCCCCSCF 62a_100011998445_100015361967 [0,1,0,0,0,0|3,0,0]=4 6071 B10R0.71 COCCCCCCSCF 62a_100015361967_100011998445 [0,1,0,0,0,0|3,0,0]=4 6072 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [0,1,0,0,0,0|3,0,0]=4 6073 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [0,1,0,0,0,0|3,0,0]=4 6074 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [0,1,0,0,0,0|3,0,0]=4 6075 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [0,1,0,0,0,0|3,0,0]=4 6076 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [0,1,0,0,0,0|3,0,0]=4 6077 B10R0.71 COCCCCCNCOC 2230a_100000747528_100000766300 [0,1,0,0,0,0|3,0,0]=4 6078 B10R0.71 COCCCCCNCSC 2230a_100000747528_100011218213 [0,1,0,0,0,0|3,0,0]=4 6079 B10R0.71 COCCCCCNCSC 34a_100000747528_100011218213 [0,1,0,0,0,0|3,0,0]=4 6080 B10R0.71 COCCCCNCCCF 2230a_100015189416_100000730899 [0,1,0,0,0,0|2,0,0]=3 6081 B10R0.71 COCCCCNCCCF 34a_100015189416_100000755781 [0,1,0,0,0,0|2,0,0]=3 6082 B10R0.71 COCCCCNCCOC 2230a_100000209980_100000730899 [0,1,0,0,0,0|2,0,0]=3 6083 B10R0.71 COCCCCNCCSC 2230a_100020590264_100000730899 [0,1,0,0,0,0|2,0,0]=3 6084 B10R0.71 COCCCCOCCCBr 34a_100011217188_100000755781 [0,1,0,0,0,0|1,0,0]=2 6085 B10R0.71 COCCCCOCCCCl 34a_100000230001_100000755781 [0,1,0,0,0,0|1,0,0]=2 6086 B10R0.71 COCCCCOCCCF 34a_100000740925_100011934791 [0,1,0,0,0,0|1,0,0]=2 6087 B10R0.71 COCCCCOCCCF 34a_100000759539_100000755781 [0,1,0,0,0,0|1,0,0]=2 6088 B10R0.71 COCCCCOCCCN 34a_100000182051_100000755781 [0,1,0,0,0,0|1,0,0]=2 6089 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [0,1,0,0,0,0|1,0,0]=2 6090 B10R0.71 COCCCCOCCOC 34a_100000210237_100000755781 [0,1,0,0,0,0|1,0,0]=2 6091 B10R0.71 COCCCCOCCOC 34a_100000740925_100011201679 [0,1,0,0,0,0|1,0,0]=2 6092 B10R0.71 COCCCCOCCON 34a_100000700252_100000755781 [0,1,0,0,0,0|2,0,0]=3 6093 B10R0.71 COCCCCOCCSC 34a_100000230434_100000755781 [0,1,0,0,0,0|1,0,0]=2 6094 B10R0.71 COCCCCOCCSC 34a_100000740925_100000212216 [0,1,0,0,0,0|1,0,0]=2 6095 B10R0.71 COCCCCOCCSC 7a_100000230434_100000730899 [0,1,0,0,0,0|1,0,0]=2 6096 B10R0.71 COCCCCSCCC#N 62a_100000730899_100011215226 [0,1,0,0,0,0|1,1,1]=4 6097 B10R0.71 COCCCCSCCC#N 62a_100011215226_100000730899 [0,1,0,0,0,0|1,1,1]=4 6098 B10R0.71 COCCCCSCCCF 62a_100000730899_100011934791 [0,1,0,0,0,0|1,1,0]=3 6099 B10R0.71 COCCCCSCCCF 62a_100011934791_100000730899 [0,1,0,0,0,0|1,1,0]=3 6100 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [0,1,0,0,0,0|1,1,0]=3 6101 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [0,1,0,0,0,0|1,1,0]=3 6102 B10R0.71 COCCCCSCCOC 62a_100000233755_100000730899 [0,1,0,0,0,0|1,1,0]=3 6103 B10R0.71 COCCCCSCCOC 62a_100000730899_100000233755 [0,1,0,0,0,0|1,1,0]=3 6104 B10R0.71 COCCCCSCCSC 62a_100000212216_100000730899 [0,1,0,0,0,0|1,1,0]=3 6105 B10R0.71 COCCCCSCCSC 62a_100000730899_100000751147 [0,1,0,0,0,0|1,1,0]=3 6106 B10R0.71 COCCCNCCCCF 34a_100150723488_100000729493 [0,1,0,0,0,0|2,0,0]=3 6107 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [0,1,0,0,0,0|2,0,0]=3 6108 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [0,1,0,0,0,0|2,0,0]=3 6109 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [0,1,0,0,0,0|2,0,0]=3 6110 B10R0.71 COCCCNCCCOC 34a_100150723488_100000740836 [0,1,0,0,0,0|2,0,0]=3 6111 B10R0.71 COCCCNCCCSC 2230a_100000749238_100000740836 [0,1,0,0,0,0|2,0,0]=3 6112 B10R0.71 COCCCOCC#CCCl 34a_200000047223_100000740836 [0,1,0,0,0,0|1,0,2]=4 6113 B10R0.71 COCCCOCC#CCO 34a_100000740835_200000047223 [0,1,0,0,0,0|1,0,2]=4 6114 B10R0.71 COCCCOCCCCBr 34a_100011216708_100000740836 [0,1,0,0,0,0|1,0,0]=2 6115 B10R0.71 COCCCOCCCCCl 34a_100000210776_100000740836 [0,1,0,0,0,0|1,0,0]=2 6116 B10R0.71 COCCCOCCCCCl 7a_100000210776_100000740836 [0,1,0,0,0,0|1,0,0]=2 6117 B10R0.71 COCCCOCCCCF 34a_100000740835_100000729493 [0,1,0,0,0,0|1,0,0]=2 6118 B10R0.71 COCCCOCCCCF 34a_100011995726_100000740836 [0,1,0,0,0,0|1,0,0]=2 6119 B10R0.71 COCCCOCCCCF 7a_100011995726_100000740836 [0,1,0,0,0,0|1,0,0]=2 6120 B10R0.71 COCCCOCCCCI 34a_200012148704_100000740836 [0,1,0,0,0,0|1,0,0]=2 6121 B10R0.71 COCCCOCCCCN 34a_100000750430_100000740836 [0,1,0,0,0,0|1,0,0]=2 6122 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [0,1,0,0,0,0|1,0,0]=2 6123 B10R0.71 COCCCOCCCOC 34a_100000740835_100000740836 [0,1,0,0,0,0|1,0,0]=2 6124 B10R0.71 COCCCOCCCOC 34a_200011215475_200000210301 [0,1,0,0,0,0|1,0,0]=2 6125 B10R0.71 COCCCOCCCOC 7a_200011215475_200000210301 [0,1,0,0,0,0|1,0,0]=2 6126 B10R0.71 COCCCOCCCO[13CH3] 34a_200011215475_200025704644 [0,1,0,0,0,0|1,0,0]=2 6127 B10R0.71 COCCCOCCCO[13CH3] 7a_200011215475_200025704644 [0,1,0,0,0,0|1,0,0]=2 6128 B10R0.71 COCCCOCCCSC 34a_100000690336_100000740836 [0,1,0,0,0,0|1,0,0]=2 6129 B10R0.71 COCCCOCCCSC 7a_100000690336_100000740836 [0,1,0,0,0,0|1,0,0]=2 6130 B10R0.71 COCCCSCCCC#N 62a_100000687738_100000709357 [0,1,0,0,0,0|1,1,1]=4 6131 B10R0.71 COCCCSCCCC#N 62a_100000709357_100000687738 [0,1,0,0,0,0|1,1,1]=4 6132 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [0,1,0,0,0,0|1,1,1]=4 6133 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [0,1,0,0,0,0|1,1,1]=4 6134 B10R0.71 COCCCSCCCCF 62a_100000709357_100000729493 [0,1,0,0,0,0|1,1,0]=3 6135 B10R0.71 COCCCSCCCCF 62a_100000729493_100000709357 [0,1,0,0,0,0|1,1,0]=3 6136 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [0,1,0,0,0,0|1,1,0]=3 6137 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [0,1,0,0,0,0|1,1,0]=3 6138 B10R0.71 COCCCSCCCOC 62a_100000709357_100000709357 [0,1,0,0,0,0|1,1,0]=3 6139 B10R0.71 COCCNCCCCC#N 2230a_100000209980_100000211819 [0,1,0,0,0,0|2,0,1]=4 6140 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [0,1,0,0,0,0|2,0,1]=4 6141 B10R0.71 COCCNCCCCCF 2230a_100000209980_100000729378 [0,1,0,0,0,0|2,0,0]=3 6142 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [0,1,0,0,0,0|2,0,0]=3 6143 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [0,1,0,0,0,0|2,0,0]=3 6144 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [0,1,0,0,0,0|2,0,0]=3 6145 B10R0.71 COCCNCCOCCO 2230a_100000209980_100011215305 [0,1,0,0,0,0|3,0,0]=4 6146 B10R0.71 COCCNCCOCCO 2230a_100000211614_100011201679 [0,1,0,0,0,0|3,0,0]=4 6147 B10R0.71 COCCNCCOCCO 34a_100000211614_100011201679 [0,1,0,0,0,0|3,0,0]=4 6148 B10R0.71 COCCNCCSCCO 2230a_100011219999_100011201679 [0,1,0,0,0,0|3,0,0]=4 6149 B10R0.71 COCCNCOCCOC 2230a_100000209980_100000231047 [0,1,0,0,0,0|2,0,0]=3 6150 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [0,1,0,0,0,0|1,0,0]=2 6151 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [0,1,0,0,0,0|1,0,0]=2 6152 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [0,1,0,0,0,0|1,0,0]=2 6153 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [0,1,0,0,0,0|1,0,0]=2 6154 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [0,1,0,0,0,0|1,0,0]=2 6155 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [0,1,0,0,0,0|1,0,0]=2 6156 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [0,1,0,0,0,0|1,0,0]=2 6157 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [0,1,0,0,0,0|1,0,0]=2 6158 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [0,1,0,0,0,0|1,0,0]=2 6159 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [0,1,0,0,0,0|1,0,0]=2 6160 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [0,1,0,0,0,0|1,0,0]=2 6161 B10R0.71 COCCOCCCNCF 34a_100000206027_100015361967 [0,1,0,0,0,0|2,0,0]=3 6162 B10R0.71 COCCOCCCSCF 62a_100011216529_100015361967 [0,1,0,0,0,0|2,0,0]=3 6163 B10R0.71 COCCOCCCSCF 62a_100015361967_100011216529 [0,1,0,0,0,0|2,0,0]=3 6164 B10R0.71 COCCOCCNCC#N 2230a_100000745349_100011215382 [0,1,0,0,0,0|2,0,1]=4 6165 B10R0.71 COCCOCCNCC=O 2230a_100000745349_200015260668 [0,1,0,0,0,0|2,0,1]=4 6166 B10R0.71 COCCOCCNCC=O 34a_100000745349_200009817547 [0,1,0,0,0,0|2,0,1]=4 6167 B10R0.71 COCCOCCNCCF 2230a_100000745349_100011217306 [0,1,0,0,0,0|2,0,0]=3 6168 B10R0.71 COCCOCCNCCF 34a_100000724931_100000695917 [0,1,0,0,0,0|2,0,0]=3 6169 B10R0.71 COCCOCCNCCF 34a_100000745349_100011217306 [0,1,0,0,0,0|2,0,0]=3 6170 B10R0.71 COCCOCCNCCO 2230a_100000745349_100000211926 [0,1,0,0,0,0|2,0,0]=3 6171 B10R0.71 COCCOCCNCCO 2230a_100016997473_100000695917 [0,1,0,0,0,0|2,0,0]=3 6172 B10R0.71 COCCOCCNCCO 34a_100000745349_100000211926 [0,1,0,0,0,0|2,0,0]=3 6173 B10R0.71 COCCOCCNCCO 34a_100016990907_100000695917 [0,1,0,0,0,0|2,0,0]=3 6174 B10R0.71 COCCOCCNCOC 2230a_100000745349_100000766300 [0,1,0,0,0,0|2,0,0]=3 6175 B10R0.71 COCCOCCNCSC 2230a_100000745349_100011218213 [0,1,0,0,0,0|2,0,0]=3 6176 B10R0.71 COCCOCCNCSC 34a_100000745349_100011218213 [0,1,0,0,0,0|2,0,0]=3 6177 B10R0.71 COCCOCCOCC#N 7a_100011215163_100011215382 [0,1,0,0,0,0|2,0,1]=4 6178 B10R0.71 COCCOCCOCC=O 34a_100011215163_200009817547 [0,1,0,0,0,0|2,0,1]=4 6179 B10R0.71 COCCOCCOCC=O 7a_100011215163_200015260668 [0,1,0,0,0,0|2,0,1]=4 6180 B10R0.71 COCCOCCOCCBr 34a_100000211926_100000695917 [0,1,0,0,0,0|2,0,0]=3 6181 B10R0.71 COCCOCCOCCBr 34a_100000692535_100011201679 [0,1,0,0,0,0|2,0,0]=3 6182 B10R0.71 COCCOCCOCCBr 34a_100010132937_200000210301 [0,1,0,0,0,0|2,0,0]=3 6183 B10R0.71 COCCOCCOCCBr 7a_100000692535_100000233755 [0,1,0,0,0,0|2,0,0]=3 6184 B10R0.71 COCCOCCOCCBr 7a_100010132937_200000210301 [0,1,0,0,0,0|2,0,0]=3 6185 B10R0.71 COCCOCCOCCCl 34a_100000032323_200000210301 [0,1,0,0,0,0|2,0,0]=3 6186 B10R0.71 COCCOCCOCCCl 34a_100011215305_100011201679 [0,1,0,0,0,0|2,0,0]=3 6187 B10R0.71 COCCOCCOCCCl 7a_100000032323_200000210301 [0,1,0,0,0,0|2,0,0]=3 6188 B10R0.71 COCCOCCOCCCl 7a_100011215305_100000233755 [0,1,0,0,0,0|2,0,0]=3 6189 B10R0.71 COCCOCCOCCF 34a_100011215163_100011217306 [0,1,0,0,0,0|2,0,0]=3 6190 B10R0.71 COCCOCCOCCF 34a_200015357709_100011201679 [0,1,0,0,0,0|2,0,0]=3 6191 B10R0.71 COCCOCCOCCF 7a_100011215163_100011217306 [0,1,0,0,0,0|2,0,0]=3 6192 B10R0.71 COCCOCCOCCF 7a_200015357709_100000233755 [0,1,0,0,0,0|2,0,0]=3 6193 B10R0.71 COCCOCCOCCI 34a_100012149058_100011201679 [0,1,0,0,0,0|2,0,0]=3 6194 B10R0.71 COCCOCCOCCI 7a_100012149058_100000233755 [0,1,0,0,0,0|2,0,0]=3 6195 B10R0.71 COCCOCCOCCN 34a_100000210304_100000695917 [0,1,0,0,0,0|2,0,0]=3 6196 B10R0.71 COCCOCCOCCN 34a_100000211614_100011201679 [0,1,0,0,0,0|2,0,0]=3 6197 B10R0.71 COCCOCCOCCN 34a_100011998139_200000210301 [0,1,0,0,0,0|2,0,0]=3 6198 B10R0.71 COCCOCCOCCO 34a_100000210237_100000692535 [0,1,0,0,0,0|2,0,0]=3 6199 B10R0.71 COCCOCCOCCO 34a_100011215163_100000211926 [0,1,0,0,0,0|2,0,0]=3 6200 B10R0.71 COCCOCCOCCO 34a_100138415774_100000032323 [0,1,0,0,0,0|2,0,0]=3 6201 B10R0.71 COCCOCCOCCO 7a_100011215163_100000211926 [0,1,0,0,0,0|2,0,0]=3 6202 B10R0.71 COCCOCCOCSC 34a_100011215163_100011218213 [0,1,0,0,0,0|2,0,0]=3 6203 B10R0.71 COCCOCCSCC#N 62a_100000695917_100011215382 [0,1,0,0,0,0|2,0,1]=4 6204 B10R0.71 COCCOCCSCC#N 62a_100011215382_100000695917 [0,1,0,0,0,0|2,0,1]=4 6205 B10R0.71 COCCOCCSCC=O 62a_100000695917_200015260668 [0,1,0,0,0,0|2,0,1]=4 6206 B10R0.71 COCCOCCSCC=O 62a_200015260668_100000695917 [0,1,0,0,0,0|2,0,1]=4 6207 B10R0.71 COCCOCCSCCF 62a_100000695917_100011217306 [0,1,0,0,0,0|2,0,0]=3 6208 B10R0.71 COCCOCCSCCF 62a_100011217306_100000695917 [0,1,0,0,0,0|2,0,0]=3 6209 B10R0.71 COCCOCCSCCO 62a_100000211926_100000695917 [0,1,0,0,0,0|2,0,0]=3 6210 B10R0.71 COCCOCCSCCO 62a_100000695917_100000211926 [0,1,0,0,0,0|2,0,0]=3 6211 B10R0.71 COCCOCCSCOC 62a_100000695917_100000766300 [0,1,0,0,0,0|2,0,0]=3 6212 B10R0.71 COCCOCCSCOC 62a_100000766300_100000695917 [0,1,0,0,0,0|2,0,0]=3 6213 B10R0.71 COCCOCCSCSC 62a_100000695917_100011218213 [0,1,0,0,0,0|2,0,0]=3 6214 B10R0.71 COCCOCCSCSC 62a_100011218213_100000695917 [0,1,0,0,0,0|2,0,0]=3 6215 B10R0.71 COCCOCNCCCF 2230a_100015189416_100000231047 [0,1,0,0,0,0|2,0,0]=3 6216 B10R0.71 COCCOCNCCSC 2230a_100020590264_100000231047 [0,1,0,0,0,0|2,0,0]=3 6217 B10R0.71 COCCOCSCCC#N 62a_100000231047_100011215226 [0,1,0,0,0,0|2,0,1]=4 6218 B10R0.71 COCCOCSCCC#N 62a_100011215226_100000231047 [0,1,0,0,0,0|2,0,1]=4 6219 B10R0.71 COCCOCSCCCF 62a_100000231047_100011934791 [0,1,0,0,0,0|2,0,0]=3 6220 B10R0.71 COCCOCSCCCF 62a_100011934791_100000231047 [0,1,0,0,0,0|2,0,0]=3 6221 B10R0.71 COCCOCSCCCO 62a_100000231047_100011215043 [0,1,0,0,0,0|2,0,0]=3 6222 B10R0.71 COCCOCSCCCO 62a_100011215043_100000231047 [0,1,0,0,0,0|2,0,0]=3 6223 B10R0.71 COCCOCSCCOC 62a_100000231047_100000233755 [0,1,0,0,0,0|2,0,0]=3 6224 B10R0.71 COCCOCSCCOC 62a_100000233755_100000231047 [0,1,0,0,0,0|2,0,0]=3 6225 B10R0.71 COCCOCSCCSC 62a_100000212216_100000231047 [0,1,0,0,0,0|2,0,0]=3 6226 B10R0.71 COCCOCSCCSC 62a_100000231047_100000751147 [0,1,0,0,0,0|2,0,0]=3 6227 B10R0.71 COCCSCCCCC#N 62a_100000233755_100000211819 [0,1,0,0,0,0|1,1,1]=4 6228 B10R0.71 COCCSCCCCC#N 62a_100011219923_100000233755 [0,1,0,0,0,0|1,1,1]=4 6229 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [0,1,0,0,0,0|1,1,1]=4 6230 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [0,1,0,0,0,0|1,1,1]=4 6231 B10R0.71 COCCSCCCCCF 62a_100000233755_100000729378 [0,1,0,0,0,0|1,1,0]=3 6232 B10R0.71 COCCSCCCCCF 62a_100000729378_100000233755 [0,1,0,0,0,0|1,1,0]=3 6233 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [0,1,0,0,0,0|1,1,0]=3 6234 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [0,1,0,0,0,0|1,1,0]=3 6235 B10R0.71 COCCSCCOCCO 62a_100000233755_100011215305 [0,1,0,0,0,0|2,1,0]=4 6236 B10R0.71 COCCSCCOCCO 62a_100011215305_100000233755 [0,1,0,0,0,0|2,1,0]=4 6237 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [0,1,0,0,0,0|3,0,0]=4 6238 B10R0.71 COCSCCCCCCF 62a_100000766300_100015922095 [0,1,0,0,0,0|3,0,0]=4 6239 B10R0.71 COCSCCCCCCF 62a_100015922095_100000766300 [0,1,0,0,0,0|3,0,0]=4 6240 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [0,1,0,0,0,0|3,0,0]=4 6241 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [0,1,0,0,0,0|3,0,0]=4 6242 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [0,1,0,0,0,0|2,0,0]=3 6243 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [0,1,0,0,0,0|2,0,0]=3 6244 B10R0.71 CSCCCCOCCC#N 7a_100011217163_100000184422 [0,1,0,0,0,0|1,0,1]=3 6245 B10R0.71 CSCCCCOCCCF 34a_100011217163_100011934791 [0,1,0,0,0,0|1,0,0]=2 6246 B10R0.71 CSCCCCOCCCF 7a_100011217163_100011934791 [0,1,0,0,0,0|1,0,0]=2 6247 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [0,1,0,0,0,0|1,0,0]=2 6248 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [0,1,0,0,0,0|1,0,0]=2 6249 B10R0.71 CSCCCCOCCSC 34a_100011217163_100000212216 [0,1,0,0,0,0|1,0,0]=2 6250 B10R0.71 CSCCCCOCCSC 7a_100011217163_100000212216 [0,1,0,0,0,0|1,0,0]=2 6251 B10R0.71 CSCCCNCCCC#N 2230a_100000749238_100000687738 [0,1,0,0,0,0|2,0,1]=4 6252 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [0,1,0,0,0,0|2,0,1]=4 6253 B10R0.71 CSCCCNCCCCF 2230a_100000749238_100000729493 [0,1,0,0,0,0|2,0,0]=3 6254 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [0,1,0,0,0,0|2,0,0]=3 6255 B10R0.71 CSCCCOCC#CCO 34a_100000690336_200000047223 [0,1,0,0,0,0|1,0,2]=4 6256 B10R0.71 CSCCCOCC#CCO 7a_100000690336_200000047223 [0,1,0,0,0,0|1,0,2]=4 6257 B10R0.71 CSCCCOCCCC#N 7a_100000690336_100000687738 [0,1,0,0,0,0|1,0,1]=3 6258 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [0,1,0,0,0,0|1,0,1]=3 6259 B10R0.71 CSCCCOCCCCF 34a_100000690336_100000729493 [0,1,0,0,0,0|1,0,0]=2 6260 B10R0.71 CSCCCOCCCCF 7a_100000690336_100000729493 [0,1,0,0,0,0|1,0,0]=2 6261 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [0,1,0,0,0,0|1,0,0]=2 6262 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [0,1,0,0,0,0|1,0,0]=2 6263 B10R0.71 CSCCNCCCCC#N 2230a_100020590264_100000211819 [0,1,0,0,0,0|2,0,1]=4 6264 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [0,1,0,0,0,0|2,0,1]=4 6265 B10R0.71 CSCCNCCCCCF 2230a_100020590264_100000729378 [0,1,0,0,0,0|2,0,0]=3 6266 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [0,1,0,0,0,0|2,0,0]=3 6267 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [0,1,0,0,0,0|2,0,0]=3 6268 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [0,1,0,0,0,0|2,0,0]=3 6269 B10R0.71 CSCCNCCOCCO 2230a_100000211614_100000751147 [0,1,0,0,0,0|3,0,0]=4 6270 B10R0.71 CSCCNCCOCCO 2230a_100020590264_100011215305 [0,1,0,0,0,0|3,0,0]=4 6271 B10R0.71 CSCCNCCOCCO 34a_100000211614_100000212216 [0,1,0,0,0,0|3,0,0]=4 6272 B10R0.71 CSCCNCCSCCO 2230a_100011219999_100000751147 [0,1,0,0,0,0|3,0,0]=4 6273 B10R0.71 CSCCOCCCCC#N 7a_100000230434_100000211819 [0,1,0,0,0,0|1,0,1]=3 6274 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [0,1,0,0,0,0|1,0,1]=3 6275 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [0,1,0,0,0,0|1,0,0]=2 6276 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [0,1,0,0,0,0|1,0,0]=2 6277 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [0,1,0,0,0,0|1,0,0]=2 6278 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [0,1,0,0,0,0|1,0,0]=2 6279 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [0,1,0,0,0,0|1,0,0]=2 6280 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [0,1,0,0,0,0|1,0,0]=2 6281 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [0,1,0,0,0,0|1,0,0]=2 6282 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [0,1,0,0,0,0|1,0,0]=2 6283 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [0,1,0,0,0,0|1,0,0]=2 6284 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [0,1,0,0,0,0|1,0,0]=2 6285 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [0,1,0,0,0,0|1,0,0]=2 6286 B10R0.71 CSCCOCCOCC#N 7a_100000230434_200000047693 [0,1,0,0,0,0|2,0,1]=4 6287 B10R0.71 CSCCOCCOCCBr 34a_100000692535_100000212216 [0,1,0,0,0,0|2,0,0]=3 6288 B10R0.71 CSCCOCCOCCBr 7a_100000692535_100000212216 [0,1,0,0,0,0|2,0,0]=3 6289 B10R0.71 CSCCOCCOCCCl 34a_100011215305_100000212216 [0,1,0,0,0,0|2,0,0]=3 6290 B10R0.71 CSCCOCCOCCCl 7a_100011215305_100000212216 [0,1,0,0,0,0|2,0,0]=3 6291 B10R0.71 CSCCOCCOCCF 34a_200015357709_100000212216 [0,1,0,0,0,0|2,0,0]=3 6292 B10R0.71 CSCCOCCOCCF 7a_200015357709_100000212216 [0,1,0,0,0,0|2,0,0]=3 6293 B10R0.71 CSCCOCCOCCI 34a_100012149058_100000212216 [0,1,0,0,0,0|2,0,0]=3 6294 B10R0.71 CSCCOCCOCCI 7a_100012149058_100000212216 [0,1,0,0,0,0|2,0,0]=3 6295 B10R0.71 CSCCOCCOCCN 34a_100000211614_100000212216 [0,1,0,0,0,0|2,0,0]=3 6296 B10R0.71 CSCCOCCOCCO 34a_100000230434_100000692535 [0,1,0,0,0,0|2,0,0]=3 6297 B10R0.71 CSCCOCCOCCO 62a_100000032323_200000210301 [0,1,0,0,0,0|2,0,0]=3 6298 B10R0.71 CSCCOCCOCCO 62a_200000210301_100000032323 [0,1,0,0,0,0|2,0,0]=3 6299 B10R0.71 CSCCOCCOCCO 7a_100000230434_100011215305 [0,1,0,0,0,0|2,0,0]=3 6300 B10R0.71 CSCCSCCCCC#N 62a_100000212216_100000211819 [0,1,0,0,0,0|1,1,1]=4 6301 B10R0.71 CSCCSCCCCC#N 62a_100011219923_100000751147 [0,1,0,0,0,0|1,1,1]=4 6302 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [0,1,0,0,0,0|1,1,1]=4 6303 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [0,1,0,0,0,0|1,1,1]=4 6304 B10R0.71 CSCCSCCCCCF 62a_100000212216_100000729378 [0,1,0,0,0,0|1,1,0]=3 6305 B10R0.71 CSCCSCCCCCF 62a_100000729378_100000751147 [0,1,0,0,0,0|1,1,0]=3 6306 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [0,1,0,0,0,0|1,1,0]=3 6307 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [0,1,0,0,0,0|1,1,0]=3 6308 B10R0.71 CSCCSCCOCCO 62a_100000212216_100011215305 [0,1,0,0,0,0|2,1,0]=4 6309 B10R0.71 CSCCSCCOCCO 62a_100011215305_100000751147 [0,1,0,0,0,0|2,1,0]=4 6310 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [0,1,0,0,0,0|3,0,0]=4 6311 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [0,1,0,0,0,0|3,0,0]=4 6312 B10R0.71 CSCOCCCCCCBr 34a_100011215345_100011218213 [0,1,0,0,0,0|3,0,0]=4 6313 B10R0.71 CSCOCCCCCCCl 34a_100000766143_100011218213 [0,1,0,0,0,0|3,0,0]=4 6314 B10R0.71 CSCOCCCCCCF 34a_100000732779_100011218213 [0,1,0,0,0,0|3,0,0]=4 6315 B10R0.71 CSCOCCCCCCN 34a_100000686447_100011218213 [0,1,0,0,0,0|3,0,0]=4 6316 B10R0.71 CSCSCCCCCCF 62a_100011218213_100015922095 [0,1,0,0,0,0|3,0,0]=4 6317 B10R0.71 CSCSCCCCCCF 62a_100015922095_100011218213 [0,1,0,0,0,0|3,0,0]=4 6318 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [0,1,0,0,0,0|3,0,0]=4 6319 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [0,1,0,0,0,0|3,0,0]=4 6320 B10R0.71 FCCCCCCNCCF 34a_100000724931_100015922095 [0,1,0,0,0,0|3,0,0]=4 6321 B10R0.71 FCCCCCCOCCBr 34a_100000211926_100015922095 [0,1,0,0,0,0|3,0,0]=4 6322 B10R0.71 FCCCCCCOCCF 34a_100000732779_100011217306 [0,1,0,0,0,0|3,0,0]=4 6323 B10R0.71 FCCCCCCOCCF 7a_100000732779_100011217306 [0,1,0,0,0,0|3,0,0]=4 6324 B10R0.71 FCCCCCCSCCF 62a_100011217306_100015922095 [0,1,0,0,0,0|3,0,0]=4 6325 B10R0.71 FCCCCCCSCCF 62a_100015922095_100011217306 [0,1,0,0,0,0|3,0,0]=4 6326 B10R0.71 FCCCCCNCCCF 2230a_100015189416_100000729378 [0,1,0,0,0,0|2,0,0]=3 6327 B10R0.71 FCCCCCNCCCF 34a_100015189416_100000729378 [0,1,0,0,0,0|2,0,0]=3 6328 B10R0.71 FCCCCCOCCCBr 34a_100011217188_100000729378 [0,1,0,0,0,0|1,0,0]=2 6329 B10R0.71 FCCCCCOCCCCl 34a_100000230001_100000729378 [0,1,0,0,0,0|1,0,0]=2 6330 B10R0.71 FCCCCCOCCCF 34a_100000759539_100000729378 [0,1,0,0,0,0|1,0,0]=2 6331 B10R0.71 FCCCCCSCCCF 62a_100000729378_100011934791 [0,1,0,0,0,0|1,1,0]=3 6332 B10R0.71 FCCCCCSCCCF 62a_100011934791_100000729378 [0,1,0,0,0,0|1,1,0]=3 6333 B10R0.71 FCCCCOCC#CCCl 34a_200000047223_100000729493 [0,1,0,0,0,0|1,0,2]=4 6334 B10R0.71 FCCCCOCCCCBr 34a_100011216708_100000729493 [0,1,0,0,0,0|1,0,0]=2 6335 B10R0.71 FCCCCOCCCCCl 34a_100000210776_100000729493 [0,1,0,0,0,0|1,0,0]=2 6336 B10R0.71 FCCCCOCCCCCl 7a_100000210776_100000729493 [0,1,0,0,0,0|1,0,0]=2 6337 B10R0.71 FCCCCOCCCCF 34a_100011995726_100000729493 [0,1,0,0,0,0|1,0,0]=2 6338 B10R0.71 FCCCCOCCCCF 7a_100011995726_100000729493 [0,1,0,0,0,0|1,0,0]=2 6339 B10R0.71 FCCCCOCCCCI 34a_200012148704_100000729493 [0,1,0,0,0,0|1,0,0]=2 6340 B10R0.71 FCCCCSCCCCF 62a_100000729493_100000729493 [0,1,0,0,0,0|1,1,0]=3 6341 B10R0.71 FCCCOCCCCCBr 34a_100000746331_100011934791 [0,1,0,0,0,0|1,0,0]=2 6342 B10R0.71 FCCCOCCCCCBr 7a_100000746331_100011934791 [0,1,0,0,0,0|1,0,0]=2 6343 B10R0.71 FCCCOCCCCCCl 34a_100000746330_100011934791 [0,1,0,0,0,0|1,0,0]=2 6344 B10R0.71 FCCCOCCCCCCl 7a_100000746330_100011934791 [0,1,0,0,0,0|1,0,0]=2 6345 B10R0.71 FCCCOCCCCCI 34a_200012148887_100011934791 [0,1,0,0,0,0|1,0,0]=2 6346 B10R0.71 FCCCOCCCCCI 7a_200012148887_100011934791 [0,1,0,0,0,0|1,0,0]=2 6347 B10R0.71 FCCCOCCOCCBr 34a_100000692535_100011934791 [0,1,0,0,0,0|2,0,0]=3 6348 B10R0.71 FCCCOCCOCCBr 7a_100000692535_100011934791 [0,1,0,0,0,0|2,0,0]=3 6349 B10R0.71 FCCCOCCOCCCl 34a_100011215305_100011934791 [0,1,0,0,0,0|2,0,0]=3 6350 B10R0.71 FCCCOCCOCCCl 7a_100011215305_100011934791 [0,1,0,0,0,0|2,0,0]=3 6351 B10R0.71 FCCCOCCOCCF 34a_200015357709_100011934791 [0,1,0,0,0,0|2,0,0]=3 6352 B10R0.71 FCCCOCCOCCF 7a_200015357709_100011934791 [0,1,0,0,0,0|2,0,0]=3 6353 B10R0.71 FCCCOCCOCCI 34a_100012149058_100011934791 [0,1,0,0,0,0|2,0,0]=3 6354 B10R0.71 FCCCOCCOCCI 7a_100012149058_100011934791 [0,1,0,0,0,0|2,0,0]=3 6355 B10R0.71 FCCOCCCCCCBr 34a_100011215345_100011217306 [0,1,0,0,0,0|3,0,0]=4 6356 B10R0.71 FCCOCCCCCCBr 7a_100011215345_100011217306 [0,1,0,0,0,0|3,0,0]=4 6357 B10R0.71 FCCOCCCCCCCl 34a_100000766143_100011217306 [0,1,0,0,0,0|3,0,0]=4 6358 B10R0.71 FCCOCCCCCCCl 7a_100000766143_100011217306 [0,1,0,0,0,0|3,0,0]=4 6359 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [0,1,0,0,0,0|3,0,0]=4 6360 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [0,1,0,0,0,0|3,0,0]=4 6361 B10R0.71 N#CCCCCNCCCF 2230a_100015189416_100000211819 [0,1,0,0,0,0|2,0,1]=4 6362 B10R0.71 N#CCCCCSCCCF 62a_100011219923_100011934791 [0,1,0,0,0,0|1,1,1]=4 6363 B10R0.71 N#CCCCCSCCCF 62a_100011934791_100000211819 [0,1,0,0,0,0|1,1,1]=4 6364 B10R0.71 N#CCCCCSCCCO 62a_100011215043_100000211819 [0,1,0,0,0,0|1,1,1]=4 6365 B10R0.71 N#CCCCCSCCCO 62a_100011219923_100011215043 [0,1,0,0,0,0|1,1,1]=4 6366 B10R0.71 N#CCCCNCCCCO 2230a_100000750430_100000687738 [0,1,0,0,0,0|2,0,1]=4 6367 B10R0.71 N#CCCCOCCCCCl 7a_100000210776_100000687738 [0,1,0,0,0,0|1,0,1]=3 6368 B10R0.71 N#CCCCOCCCCF 7a_100011995726_100000687738 [0,1,0,0,0,0|1,0,1]=3 6369 B10R0.71 N#CCCCSCCCCF 62a_100000687738_100000729493 [0,1,0,0,0,0|1,1,1]=4 6370 B10R0.71 N#CCCCSCCCCF 62a_100000729493_100000687738 [0,1,0,0,0,0|1,1,1]=4 6371 B10R0.71 N#CCCCSCCCCO 62a_100000210776_100000687738 [0,1,0,0,0,0|1,1,1]=4 6372 B10R0.71 N#CCCCSCCCCO 62a_100000687738_100000210776 [0,1,0,0,0,0|1,1,1]=4 6373 B10R0.71 N#CCCNCCCCCO 2230a_100000762737_100011215226 [0,1,0,0,0,0|2,0,1]=4 6374 B10R0.71 N#CCCOCCCCCBr 7a_100000746331_100000184422 [0,1,0,0,0,0|1,0,1]=3 6375 B10R0.71 N#CCCOCCCCCCl 7a_100000746330_100000184422 [0,1,0,0,0,0|1,0,1]=3 6376 B10R0.71 N#CCCOCCCCCI 7a_200012148887_100000184422 [0,1,0,0,0,0|1,0,1]=3 6377 B10R0.71 N#CCCOCCOCCBr 7a_100000692535_100000184422 [0,1,0,0,0,0|2,0,1]=4 6378 B10R0.71 N#CCCOCCOCCCl 7a_100011215305_100000184422 [0,1,0,0,0,0|2,0,1]=4 6379 B10R0.71 N#CCCOCCOCCF 7a_200015357709_100000184422 [0,1,0,0,0,0|2,0,1]=4 6380 B10R0.71 N#CCCOCCOCCI 7a_100012149058_100000184422 [0,1,0,0,0,0|2,0,1]=4 6381 B10R0.71 N#CCCSCCCCCF 62a_100000729378_100011215226 [0,1,0,0,0,0|1,1,1]=4 6382 B10R0.71 N#CCCSCCCCCF 62a_100011215226_100000729378 [0,1,0,0,0,0|1,1,1]=4 6383 B10R0.71 N#CCCSCCCCCO 62a_100000746330_100011215226 [0,1,0,0,0,0|1,1,1]=4 6384 B10R0.71 N#CCCSCCCCCO 62a_100011215226_100000746330 [0,1,0,0,0,0|1,1,1]=4 6385 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [0,1,0,0,0,0|3,0,0]=4 6386 B10R0.71 NCCCCCCOCCF 34a_100000686447_100011217306 [0,1,0,0,0,0|3,0,0]=4 6387 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [0,1,0,0,0,0|3,0,0]=4 6388 B10R0.71 NCCCCCOCCCF 34a_100000762737_100011934791 [0,1,0,0,0,0|1,0,0]=2 6389 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [0,1,0,0,0,0|1,0,0]=2 6390 B10R0.71 NCCCCOCC#CCO 34a_100000750430_200000047223 [0,1,0,0,0,0|1,0,2]=4 6391 B10R0.71 NCCCCOCCCCF 34a_100000750430_100000729493 [0,1,0,0,0,0|1,0,0]=2 6392 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [0,1,0,0,0,0|1,0,0]=2 6393 B10R0.71 NCCCOCCCCCF 34a_100000182051_100000729378 [0,1,0,0,0,0|1,0,0]=2 6394 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [0,1,0,0,0,0|1,0,0]=2 6395 B10R0.71 NCCCOCCCOCF 34a_100011310245_100015361967 [0,1,0,0,0,0|2,0,0]=3 6396 B10R0.71 NCCCOCCOCCO 34a_100000182051_100000692535 [0,1,0,0,0,0|2,0,0]=3 6397 B10R0.71 NCCOCCCCCCF 34a_100000210304_100015922095 [0,1,0,0,0,0|3,0,0]=4 6398 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [0,1,0,0,0,0|3,0,0]=4 6399 B10R0.71 NCCOCCOCCCF 34a_100000211614_100011934791 [0,1,0,0,0,0|2,0,0]=3 6400 B10R0.71 NCCOCCOCCCO 34a_100000211614_100000230001 [0,1,0,0,0,0|2,0,0]=3 6401 B10R0.71 NOCCOCCCCCF 34a_100000700252_100000729378 [0,1,0,0,0,0|2,0,0]=3 6402 B10R0.71 NOCCOCCCCCO 34a_100000700252_100000746330 [0,1,0,0,0,0|2,0,0]=3 6403 B10R0.71 NOCCOCCOCCO 34a_100000700252_100000692535 [0,1,0,0,0,0|3,0,0]=4 6404 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [0,1,0,0,0,0|2,0,1]=4 6405 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [0,1,0,0,0,0|1,1,1]=4 6406 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [0,1,0,0,0,0|1,1,1]=4 6407 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [0,1,0,0,0,0|1,1,1]=4 6408 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [0,1,0,0,0,0|1,1,1]=4 6409 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [0,1,0,0,0,0|2,0,1]=4 6410 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [0,1,0,0,0,0|1,0,1]=3 6411 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [0,1,0,0,0,0|1,0,1]=3 6412 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [0,1,0,0,0,0|1,1,1]=4 6413 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [0,1,0,0,0,0|1,1,1]=4 6414 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [0,1,0,0,0,0|1,1,1]=4 6415 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [0,1,0,0,0,0|1,1,1]=4 6416 B10R0.71 OCC#CCOCCCCBr 34a_100011216708_200000047223 [0,1,0,0,0,0|1,0,2]=4 6417 B10R0.71 OCC#CCOCCCCCl 34a_100000210776_200000047223 [0,1,0,0,0,0|1,0,2]=4 6418 B10R0.71 OCC#CCOCCCCCl 7a_100000210776_200000047223 [0,1,0,0,0,0|1,0,2]=4 6419 B10R0.71 OCC#CCOCCCCF 34a_100011995726_200000047223 [0,1,0,0,0,0|1,0,2]=4 6420 B10R0.71 OCC#CCOCCCCF 7a_100011995726_200000047223 [0,1,0,0,0,0|1,0,2]=4 6421 B10R0.71 OCC#CCOCCCCI 34a_200012148704_200000047223 [0,1,0,0,0,0|1,0,2]=4 6422 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [0,1,0,0,0,0|3,0,0]=4 6423 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [0,1,0,0,0,0|3,0,0]=4 6424 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [0,1,0,0,0,0|3,0,0]=4 6425 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [0,1,0,0,0,0|3,0,0]=4 6426 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [0,1,0,0,0,0|3,0,0]=4 6427 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [0,1,0,0,0,0|3,0,0]=4 6428 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [0,1,0,0,0,0|3,0,0]=4 6429 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [0,1,0,0,0,0|3,0,0]=4 6430 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [0,1,0,0,0,0|3,0,0]=4 6431 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [0,1,0,0,0,0|3,0,0]=4 6432 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [0,1,0,0,0,0|3,0,0]=4 6433 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [0,1,0,0,0,0|3,0,0]=4 6434 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [0,1,0,0,0,0|3,0,0]=4 6435 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [0,1,0,0,0,0|3,0,0]=4 6436 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [0,1,0,0,0,0|3,0,0]=4 6437 B10R0.71 OCCCCCNCCCF 2230a_100000762737_100011934791 [0,1,0,0,0,0|2,0,0]=3 6438 B10R0.71 OCCCCCNCCCF 2230a_100015189416_100000746330 [0,1,0,0,0,0|2,0,0]=3 6439 B10R0.71 OCCCCCNCCCF 34a_100000762737_100011934791 [0,1,0,0,0,0|2,0,0]=3 6440 B10R0.71 OCCCCCNCCCF 34a_100015189416_100000746330 [0,1,0,0,0,0|2,0,0]=3 6441 B10R0.71 OCCCCCNCCCO 2230a_100000762737_100000230001 [0,1,0,0,0,0|2,0,0]=3 6442 B10R0.71 OCCCCCNCCCO 34a_100000762737_100000230001 [0,1,0,0,0,0|2,0,0]=3 6443 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [0,1,0,0,0,0|1,0,0]=2 6444 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [0,1,0,0,0,0|1,0,0]=2 6445 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [0,1,0,0,0,0|1,0,0]=2 6446 B10R0.71 OCCCCCSCCCF 62a_100000746330_100011934791 [0,1,0,0,0,0|1,1,0]=3 6447 B10R0.71 OCCCCCSCCCF 62a_100011934791_100000746330 [0,1,0,0,0,0|1,1,0]=3 6448 B10R0.71 OCCCCCSCCCO 62a_100000746330_100011215043 [0,1,0,0,0,0|1,1,0]=3 6449 B10R0.71 OCCCCCSCCCO 62a_100011215043_100000746330 [0,1,0,0,0,0|1,1,0]=3 6450 B10R0.71 OCCCCNCCCCF 2230a_100000750430_100000729493 [0,1,0,0,0,0|2,0,0]=3 6451 B10R0.71 OCCCCNCCCCF 34a_100000750430_100000729493 [0,1,0,0,0,0|2,0,0]=3 6452 B10R0.71 OCCCCNCCCCO 2230a_100000750430_100000210776 [0,1,0,0,0,0|2,0,0]=3 6453 B10R0.71 OCCCCNCCCCO 34a_100000750430_100011216708 [0,1,0,0,0,0|2,0,0]=3 6454 B10R0.71 OCCCCOCC#CCCl 34a_200000047223_100011216708 [0,1,0,0,0,0|1,0,2]=4 6455 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [0,1,0,0,0,0|1,0,0]=2 6456 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [0,1,0,0,0,0|1,0,0]=2 6457 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [0,1,0,0,0,0|1,0,0]=2 6458 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [0,1,0,0,0,0|1,0,0]=2 6459 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [0,1,0,0,0,0|1,0,0]=2 6460 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [0,1,0,0,0,0|1,0,0]=2 6461 B10R0.71 OCCCCSCCCCF 62a_100000210776_100000729493 [0,1,0,0,0,0|1,1,0]=3 6462 B10R0.71 OCCCCSCCCCF 62a_100000729493_100000210776 [0,1,0,0,0,0|1,1,0]=3 6463 B10R0.71 OCCCCSCCCCO 62a_100000210776_100000210776 [0,1,0,0,0,0|1,1,0]=3 6464 B10R0.71 OCCCNCCOCCO 2230a_100000211614_100000230001 [0,1,0,0,0,0|3,0,0]=4 6465 B10R0.71 OCCCNCCOCCO 34a_100000211614_100000230001 [0,1,0,0,0,0|3,0,0]=4 6466 B10R0.71 OCCCNCCSCCO 2230a_100011219999_100000230001 [0,1,0,0,0,0|3,0,0]=4 6467 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [0,1,0,0,0,0|1,0,0]=2 6468 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [0,1,0,0,0,0|1,0,0]=2 6469 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [0,1,0,0,0,0|1,0,0]=2 6470 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [0,1,0,0,0,0|1,0,0]=2 6471 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [0,1,0,0,0,0|1,0,0]=2 6472 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [0,1,0,0,0,0|1,0,0]=2 6473 B10R0.71 OCCCOCCCNCF 34a_100011310245_100015361967 [0,1,0,0,0,0|2,0,0]=3 6474 B10R0.71 OCCCOCCOCCBr 34a_100000692535_100000230001 [0,1,0,0,0,0|2,0,0]=3 6475 B10R0.71 OCCCOCCOCCBr 7a_100000692535_100011215043 [0,1,0,0,0,0|2,0,0]=3 6476 B10R0.71 OCCCOCCOCCCl 34a_100011215305_100000230001 [0,1,0,0,0,0|2,0,0]=3 6477 B10R0.71 OCCCOCCOCCCl 7a_100011215305_100011215043 [0,1,0,0,0,0|2,0,0]=3 6478 B10R0.71 OCCCOCCOCCF 34a_200015357709_100000230001 [0,1,0,0,0,0|2,0,0]=3 6479 B10R0.71 OCCCOCCOCCF 7a_200015357709_100011215043 [0,1,0,0,0,0|2,0,0]=3 6480 B10R0.71 OCCCOCCOCCI 34a_100012149058_100000230001 [0,1,0,0,0,0|2,0,0]=3 6481 B10R0.71 OCCCOCCOCCI 7a_100012149058_100011215043 [0,1,0,0,0,0|2,0,0]=3 6482 B10R0.71 OCCCSCCCCCF 62a_100000729378_100011215043 [0,1,0,0,0,0|1,1,0]=3 6483 B10R0.71 OCCCSCCCCCF 62a_100011215043_100000729378 [0,1,0,0,0,0|1,1,0]=3 6484 B10R0.71 OCCCSCCOCCO 62a_100011215043_100011215305 [0,1,0,0,0,0|2,1,0]=4 6485 B10R0.71 OCCCSCCOCCO 62a_100011215305_100011215043 [0,1,0,0,0,0|2,1,0]=4 6486 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [0,1,0,0,0,0|3,0,0]=4 6487 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [0,1,0,0,0,0|3,0,0]=4 6488 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [0,1,0,0,0,0|3,0,0]=4 6489 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [0,1,0,0,0,0|3,0,0]=4 6490 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [0,1,0,0,0,0|3,0,0]=4 6491 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [0,1,0,0,0,0|3,0,0]=4 6492 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [0,1,0,0,0,0|3,0,0]=4 6493 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [0,1,0,0,0,0|3,0,0]=4 6494 B10R0.71 OCCOCCNCCCF 2230a_100000211614_100011934791 [0,1,0,0,0,0|3,0,0]=4 6495 B10R0.71 OCCOCCNCCCF 2230a_100015189416_100011215305 [0,1,0,0,0,0|3,0,0]=4 6496 B10R0.71 OCCOCCNCCCF 34a_100000211614_100011934791 [0,1,0,0,0,0|3,0,0]=4 6497 B10R0.71 OCCOCCNCCCF 34a_100015189416_100000692535 [0,1,0,0,0,0|3,0,0]=4 6498 B10R0.71 OCCOCCOCCCBr 34a_100011217188_100000692535 [0,1,0,0,0,0|2,0,0]=3 6499 B10R0.71 OCCOCCOCCCCl 34a_100000230001_100000692535 [0,1,0,0,0,0|2,0,0]=3 6500 B10R0.71 OCCOCCOCCCF 34a_100000759539_100000692535 [0,1,0,0,0,0|2,0,0]=3 6501 B10R0.71 OCCOCCSCCCF 62a_100011215305_100011934791 [0,1,0,0,0,0|2,1,0]=4 6502 B10R0.71 OCCOCCSCCCF 62a_100011934791_100011215305 [0,1,0,0,0,0|2,1,0]=4 6503 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [0,1,0,0,0,0|3,0,0]=4 6504 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [0,1,0,0,0,0|3,0,0]=4 6505 B10R0.71 OCCSCCNCCCF 2230a_100011219999_100011934791 [0,1,0,0,0,0|3,0,0]=4 6506 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [0,1,0,0,0,0|2,0,0]=3 6507 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [0,1,0,0,0,0|2,0,0]=3 6508 B10R0.71 [13CH3]NCCOCCOCCO 2230a_100011998139_200025704644 [0,1,0,0,0,0|2,0,0]=3 6509 B10R0.71 [13CH3]NCCOCCOCCO 34a_100011998139_200025704644 [0,1,0,0,0,0|2,0,0]=3 6510 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [0,1,0,0,0,0|2,0,0]=3 6511 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [0,1,0,0,0,0|2,0,0]=3 6512 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [0,1,0,0,0,0|2,0,0]=3 6513 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [0,1,0,0,0,0|2,0,0]=3 6514 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [0,1,0,0,0,0|2,0,0]=3 6515 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [0,1,0,0,0,0|3,0,0]=4 6516 B10R0.71 [13CH3]OCCOCCOCCBr 34a_100010132937_200025704644 [0,1,0,0,0,0|2,0,0]=3 6517 B10R0.71 [13CH3]OCCOCCOCCBr 7a_100010132937_200025704644 [0,1,0,0,0,0|2,0,0]=3 6518 B10R0.71 [13CH3]OCCOCCOCCCl 34a_100000032323_200025704644 [0,1,0,0,0,0|2,0,0]=3 6519 B10R0.71 [13CH3]OCCOCCOCCCl 7a_100000032323_200025704644 [0,1,0,0,0,0|2,0,0]=3 6520 B10R0.71 [13CH3]OCCOCCOCCN 34a_100011998139_200025704644 [0,1,0,0,0,0|2,0,0]=3 6521 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [0,1,0,0,0,0|2,0,0]=3 6522 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [0,1,0,0,0,0|2,0,0]=3 6523 B10R0.71 [13CH3]SCCOCCOCCO 62a_100000032323_200025704644 [0,1,0,0,0,0|2,0,0]=3 6524 B10R0.71 [13CH3]SCCOCCOCCO 62a_200025704644_100000032323 [0,1,0,0,0,0|2,0,0]=3 6525 B10R0.74 C#CC(=O)CCOCCCC 1458a_100000211873_100000743108 [0,1,0,0,0,0|0,0,3]=4 6526 B10R0.74 C#CC(C)NCOCCCC 2230a_100000707721_100011995733 [0,1,0,0,0,0|1,0,2]=4 6527 B10R0.74 C#CC(C)NCOCCCC 34a_100000707721_100011995733 [0,1,0,0,0,0|1,0,2]=4 6528 B10R0.74 C#CC(C)SCOCCCC 62a_200000035995_100011995733 [0,1,0,0,0,0|1,0,2]=4 6529 B10R0.74 C#CCCCNCC(C)CC 2230a_100020588543_100000731252 [0,1,0,0,0,0|1,0,2]=4 6530 B10R0.74 C#CCCCNCC(C)CC 270004a_100000718082_100000243153 [0,1,0,0,0,0|1,0,2]=4 6531 B10R0.74 C#CCCCNCC(C)CC 34a_100000718082_100000748023 [0,1,0,0,0,0|1,0,2]=4 6532 B10R0.74 C#CCCCNCC(O)CC 2230a_100011218483_100000731252 [0,1,0,0,0,0|1,0,2]=4 6533 B10R0.74 C#CCCCNCC(O)CC 34a_100000718082_100011218378 [0,1,0,0,0,0|1,0,2]=4 6534 B10R0.74 C#CCCCNC[C@@H](C)CC 34a_100000718082_100009816398 [0,1,0,0,0,0|1,0,2]=4 6535 B10R0.74 C#CCCCOCC(=O)CC 34a_100000725409_100000695029 [0,1,0,0,0,0|0,0,3]=4 6536 B10R0.74 C#CCCCOCC(=O)CC 7a_100000215630_100000747405 [0,1,0,0,0,0|0,0,3]=4 6537 B10R0.74 C#CCCCOCC(C)CC 34a_100000215630_100000748023 [0,1,0,0,0,0|0,0,2]=3 6538 B10R0.74 C#CCCCOCC(C)CC 7a_100000215630_100000748023 [0,1,0,0,0,0|0,0,2]=3 6539 B10R0.74 C#CCCCOCC(C)CN 34a_100000744482_100000695029 [0,1,0,0,0,0|1,0,2]=4 6540 B10R0.74 C#CCCCOCC(C)OC 34a_100000690652_100000695029 [0,1,0,0,0,0|1,0,2]=4 6541 B10R0.74 C#CCCCOCC(Cl)CCl 34a_100000033668_100000695029 [0,1,0,0,0,0|1,0,2]=4 6542 B10R0.74 C#CCCCOCC(O)CC 34a_100000215630_100011218378 [0,1,0,0,0,0|0,0,2]=3 6543 B10R0.74 C#CCCCOCC(O)CC 7a_100000215630_100011218378 [0,1,0,0,0,0|0,0,2]=3 6544 B10R0.74 C#CCCCOCC(O)CO 34a_100000215630_100011219619 [0,1,0,0,0,0|1,0,2]=4 6545 B10R0.74 C#CCCCOCC(O)CO 7a_100000215630_100011219619 [0,1,0,0,0,0|1,0,2]=4 6546 B10R0.74 C#CCCCOC[C@@H](C)CC 34a_100000215630_100009816398 [0,1,0,0,0,0|0,0,2]=3 6547 B10R0.74 C#CCCCOC[C@@H](C)CC 7a_100000215630_100009816398 [0,1,0,0,0,0|0,0,2]=3 6548 B10R0.74 C#CCCCOC[C@@H](C)CC 7a_100009816381_100011215417 [0,1,0,0,0,0|0,0,2]=3 6549 B10R0.74 C#CCCCOC[C@@H](C)CO 34a_100000215630_100000059175 [0,1,0,0,0,0|1,0,2]=4 6550 B10R0.74 C#CCCCOC[C@@H](C)CO 7a_100000215630_100000059175 [0,1,0,0,0,0|1,0,2]=4 6551 B10R0.74 C#CCCCOC[C@@H](O)CF 34a_100000215630_100015614560 [0,1,0,0,0,0|1,0,2]=4 6552 B10R0.74 C#CCCCOC[C@@H](O)CF 7a_100000215630_100015614560 [0,1,0,0,0,0|1,0,2]=4 6553 B10R0.74 C#CCCCOC[C@@H](O)CO 34a_100000215630_100009815848 [0,1,0,0,0,0|1,0,2]=4 6554 B10R0.74 C#CCCCOC[C@@H](O)CO 7a_100000215630_100009815848 [0,1,0,0,0,0|1,0,2]=4 6555 B10R0.74 C#CCCCOC[C@H](F)CN 34a_100015665980_100000695029 [0,1,0,0,0,0|1,0,2]=4 6556 B10R0.74 C#CCCCSCC(C)CC 62a_100000748023_100011215417 [0,1,0,0,0,0|0,1,2]=4 6557 B10R0.74 C#CCCCSCC(C)CC 62a_100011215417_100000748023 [0,1,0,0,0,0|0,1,2]=4 6558 B10R0.74 C#CCCCSCC(O)CC 62a_100011215417_100011218378 [0,1,0,0,0,0|0,1,2]=4 6559 B10R0.74 C#CCCCSCC(O)CC 62a_100011218378_100011215417 [0,1,0,0,0,0|0,1,2]=4 6560 B10R0.74 C#CCCCSC[C@@H](C)CC 62a_100009816398_100011215417 [0,1,0,0,0,0|0,1,2]=4 6561 B10R0.74 C#CCCCSC[C@@H](C)CC 62a_100011215417_100009816398 [0,1,0,0,0,0|0,1,2]=4 6562 B10R0.74 C#CCCNCCC(C)CC 2230a_100020591266_100000688953 [0,1,0,0,0,0|1,0,2]=4 6563 B10R0.74 C#CCCOCCC(C)CC 7a_100011215188_100000688953 [0,1,0,0,0,0|0,0,2]=3 6564 B10R0.74 C#CCCOCCC(C)OC 7a_100000764861_100000688953 [0,1,0,0,0,0|1,0,2]=4 6565 B10R0.74 C#C[C@@H](C)OCOCCCC 34a_100009815206_100011995733 [0,1,0,0,0,0|1,0,2]=4 6566 B10R0.74 C/C=C/CCOCC(C)CC 34a_100016278192_100000748023 [0,1,0,0,0,0|0,0,2]=3 6567 B10R0.74 C/C=C/CCOCC(O)CC 34a_100016278192_100011218378 [0,1,0,0,0,0|0,0,2]=3 6568 B10R0.74 C/C=C/CCOCC(O)CO 34a_100016278192_100011219619 [0,1,0,0,0,0|1,0,2]=4 6569 B10R0.74 C/C=C/CCOC[C@@H](C)CC 34a_100016278192_100009816398 [0,1,0,0,0,0|0,0,2]=3 6570 B10R0.74 C/C=C/CCOC[C@@H](C)CO 34a_100016278192_100000059175 [0,1,0,0,0,0|1,0,2]=4 6571 B10R0.74 C/C=C/CCOC[C@@H](O)CF 34a_100016278192_100015614560 [0,1,0,0,0,0|1,0,2]=4 6572 B10R0.74 C/C=C/CCOC[C@@H](O)CO 34a_100016278192_100009815848 [0,1,0,0,0,0|1,0,2]=4 6573 B10R0.74 C/C=C/COCCC(C)CC 7a_100011215188_100102629194 [0,1,0,0,0,0|0,0,2]=3 6574 B10R0.74 C/C=C/COCCC(C)OC 7a_100000764861_100102629194 [0,1,0,0,0,0|1,0,2]=4 6575 B10R0.74 C=C(C#N)COCCCCC 34a_100000210253_100000694840 [0,1,0,0,0,0|1,0,2]=4 6576 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [0,1,0,0,0,0|0,0,3]=4 6577 B10R0.74 C=CC(C)COCCCCC 34a_100011215527_100000718602 [0,1,0,0,0,0|0,0,2]=3 6578 B10R0.74 C=CC(C)COCCCCC 7a_100011215527_100000210326 [0,1,0,0,0,0|0,0,2]=3 6579 B10R0.74 C=CC(C)COCCCCF 34a_100011215527_100000729493 [0,1,0,0,0,0|1,0,2]=4 6580 B10R0.74 C=CC(C)COCCCCF 7a_100011215527_100000729493 [0,1,0,0,0,0|1,0,2]=4 6581 B10R0.74 C=CC(C)COCCCCO 34a_100011215527_100011216708 [0,1,0,0,0,0|1,0,2]=4 6582 B10R0.74 C=CC(C)COCCCCO 7a_100011215527_100000210776 [0,1,0,0,0,0|1,0,2]=4 6583 B10R0.74 C=CC(C)COCCCOC 34a_100011215527_100000740836 [0,1,0,0,0,0|1,0,2]=4 6584 B10R0.74 C=CC(C)COCCCOC 7a_100011215527_100000740836 [0,1,0,0,0,0|1,0,2]=4 6585 B10R0.74 C=CC(C)COCCOCC 34a_100011215527_100000210147 [0,1,0,0,0,0|1,0,2]=4 6586 B10R0.74 C=CC(C)COCCOCC 7a_100011215527_100011215890 [0,1,0,0,0,0|1,0,2]=4 6587 B10R0.74 C=CC(C)COCCSCC 34a_100011215527_100000757381 [0,1,0,0,0,0|1,0,2]=4 6588 B10R0.74 C=CC(C)COCCSCC 7a_100011215527_100000757381 [0,1,0,0,0,0|1,0,2]=4 6589 B10R0.74 C=CC(C)OCOCCCC 34a_100000695699_100011995733 [0,1,0,0,0,0|1,0,2]=4 6590 B10R0.74 C=CC(C)SCOCCCC 62a_100011215867_100011995733 [0,1,0,0,0,0|1,0,2]=4 6591 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [0,1,0,0,0,0|1,0,2]=4 6592 B10R0.74 C=CC(O)COCCCCBr 34a_100011216708_100000730141 [0,1,0,0,0,0|1,0,2]=4 6593 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [0,1,0,0,0,0|0,0,2]=3 6594 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [0,1,0,0,0,0|0,0,2]=3 6595 B10R0.74 C=CC(O)COCCCCCl 34a_100000210776_100000730141 [0,1,0,0,0,0|1,0,2]=4 6596 B10R0.74 C=CC(O)COCCCCCl 7a_100000210776_100000730141 [0,1,0,0,0,0|1,0,2]=4 6597 B10R0.74 C=CC(O)COCCCCF 34a_100011995726_100000730141 [0,1,0,0,0,0|1,0,2]=4 6598 B10R0.74 C=CC(O)COCCCCF 7a_100011995726_100000730141 [0,1,0,0,0,0|1,0,2]=4 6599 B10R0.74 C=CC(O)COCCCCI 34a_200012148704_100000730141 [0,1,0,0,0,0|1,0,2]=4 6600 B10R0.74 C=CC(O)COCCCCN 34a_100000750430_100000730141 [0,1,0,0,0,0|1,0,2]=4 6601 B10R0.74 C=CC(O)COCCCNC 34a_100000213112_100000730141 [0,1,0,0,0,0|1,0,2]=4 6602 B10R0.74 C=CC(O)COCCCOC 34a_100000740835_100000730141 [0,1,0,0,0,0|1,0,2]=4 6603 B10R0.74 C=CC(O)COCCCSC 34a_100000690336_100000730141 [0,1,0,0,0,0|1,0,2]=4 6604 B10R0.74 C=CC(O)COCCCSC 7a_100000690336_100000730141 [0,1,0,0,0,0|1,0,2]=4 6605 B10R0.74 C=CC(O)COCCOCC 34a_100000210136_100000730141 [0,1,0,0,0,0|1,0,2]=4 6606 B10R0.74 C=CC(O)COCCOCC 7a_100000210136_100000730141 [0,1,0,0,0,0|1,0,2]=4 6607 B10R0.74 C=CC(O)COCCSCC 34a_100000212035_100000730141 [0,1,0,0,0,0|1,0,2]=4 6608 B10R0.74 C=CC(O)COCCSCC 7a_100000212035_100000730141 [0,1,0,0,0,0|1,0,2]=4 6609 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [0,1,0,0,0,0|0,1,2]=4 6610 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [0,1,0,0,0,0|0,1,2]=4 6611 B10R0.74 C=CCCCNCC(C)CC 2230a_100000700776_100000748023 [0,1,0,0,0,0|1,0,2]=4 6612 B10R0.74 C=CCCCNCC(C)CC 2230a_100020588543_100011713584 [0,1,0,0,0,0|1,0,2]=4 6613 B10R0.74 C=CCCCNCC(C)CC 270004a_100000700776_100000243153 [0,1,0,0,0,0|1,0,2]=4 6614 B10R0.74 C=CCCCNCC(C)CC 34a_100000700776_100000748023 [0,1,0,0,0,0|1,0,2]=4 6615 B10R0.74 C=CCCCNCC(O)CC 2230a_100000700776_100011218378 [0,1,0,0,0,0|1,0,2]=4 6616 B10R0.74 C=CCCCNCC(O)CC 2230a_100011218483_100011713584 [0,1,0,0,0,0|1,0,2]=4 6617 B10R0.74 C=CCCCNCC(O)CC 34a_100000700776_100011218378 [0,1,0,0,0,0|1,0,2]=4 6618 B10R0.74 C=CCCCNC[C@@H](C)CC 2230a_100000700776_100009816398 [0,1,0,0,0,0|1,0,2]=4 6619 B10R0.74 C=CCCCNC[C@@H](C)CC 34a_100000700776_100009816398 [0,1,0,0,0,0|1,0,2]=4 6620 B10R0.74 C=CCCCOCC(=O)CC 34a_100000725409_100000757094 [0,1,0,0,0,0|0,0,3]=4 6621 B10R0.74 C=CCCCOCC(=O)CC 7a_100000758997_100000747405 [0,1,0,0,0,0|0,0,3]=4 6622 B10R0.74 C=CCCCOCC(C)CC 34a_100000758997_100000748023 [0,1,0,0,0,0|0,0,2]=3 6623 B10R0.74 C=CCCCOCC(C)CC 7a_100000758997_100000748023 [0,1,0,0,0,0|0,0,2]=3 6624 B10R0.74 C=CCCCOCC(C)CN 34a_100000744482_100000757094 [0,1,0,0,0,0|1,0,2]=4 6625 B10R0.74 C=CCCCOCC(C)OC 34a_100000690652_100000757094 [0,1,0,0,0,0|1,0,2]=4 6626 B10R0.74 C=CCCCOCC(Cl)CCl 34a_100000033668_100000757094 [0,1,0,0,0,0|1,0,2]=4 6627 B10R0.74 C=CCCCOCC(O)CC 34a_100000758997_100011218378 [0,1,0,0,0,0|0,0,2]=3 6628 B10R0.74 C=CCCCOCC(O)CC 7a_100000758997_100011218378 [0,1,0,0,0,0|0,0,2]=3 6629 B10R0.74 C=CCCCOCC(O)CO 34a_100000758997_100011219619 [0,1,0,0,0,0|1,0,2]=4 6630 B10R0.74 C=CCCCOCC(O)CO 7a_100000758997_100011219619 [0,1,0,0,0,0|1,0,2]=4 6631 B10R0.74 C=CCCCOC[C@@H](C)CC 34a_100000758997_100009816398 [0,1,0,0,0,0|0,0,2]=3 6632 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100000758997_100009816398 [0,1,0,0,0,0|0,0,2]=3 6633 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100009816381_100000757094 [0,1,0,0,0,0|0,0,2]=3 6634 B10R0.74 C=CCCCOC[C@@H](C)CO 34a_100000758997_100000059175 [0,1,0,0,0,0|1,0,2]=4 6635 B10R0.74 C=CCCCOC[C@@H](C)CO 7a_100000758997_100000059175 [0,1,0,0,0,0|1,0,2]=4 6636 B10R0.74 C=CCCCOC[C@@H](O)CF 34a_100000758997_100015614560 [0,1,0,0,0,0|1,0,2]=4 6637 B10R0.74 C=CCCCOC[C@@H](O)CF 7a_100000758997_100015614560 [0,1,0,0,0,0|1,0,2]=4 6638 B10R0.74 C=CCCCOC[C@@H](O)CO 34a_100000758997_100009815848 [0,1,0,0,0,0|1,0,2]=4 6639 B10R0.74 C=CCCCOC[C@@H](O)CO 7a_100000758997_100009815848 [0,1,0,0,0,0|1,0,2]=4 6640 B10R0.74 C=CCCCOC[C@H](F)CN 34a_100015665980_100000757094 [0,1,0,0,0,0|1,0,2]=4 6641 B10R0.74 C=CCCCSCC(C)CC 62a_100000748023_100000757094 [0,1,0,0,0,0|0,1,2]=4 6642 B10R0.74 C=CCCCSCC(C)CC 62a_100011713584_100000748023 [0,1,0,0,0,0|0,1,2]=4 6643 B10R0.74 C=CCCCSCC(O)CC 62a_100011218378_100000757094 [0,1,0,0,0,0|0,1,2]=4 6644 B10R0.74 C=CCCCSCC(O)CC 62a_100011713584_100011218378 [0,1,0,0,0,0|0,1,2]=4 6645 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100009816398_100000757094 [0,1,0,0,0,0|0,1,2]=4 6646 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100011713584_100009816398 [0,1,0,0,0,0|0,1,2]=4 6647 B10R0.74 C=CCCNCCC(C)CC 2230a_100020591266_100000754431 [0,1,0,0,0,0|1,0,2]=4 6648 B10R0.74 C=CCCOCCC(C)CC 7a_100011215188_100000754431 [0,1,0,0,0,0|0,0,2]=3 6649 B10R0.74 C=CCCOCCC(C)OC 7a_100000764861_100000754431 [0,1,0,0,0,0|1,0,2]=4 6650 B10R0.74 C=COCCOCC(C)CC 34a_100000033082_100000748023 [0,1,0,0,0,0|1,0,2]=4 6651 B10R0.74 C=COCCOCC(O)CC 34a_100000033082_100011218378 [0,1,0,0,0,0|1,0,2]=4 6652 B10R0.74 C=COCCOC[C@@H](C)CC 34a_100000033082_100009816398 [0,1,0,0,0,0|1,0,2]=4 6653 B10R0.74 C=COCCOC[C@@H](C)CC 7a_100009816381_100000039644 [0,1,0,0,0,0|1,0,2]=4 6654 B10R0.74 C=C[C@H](N)COCCCCC 34a_100016989147_100000718602 [0,1,0,0,0,0|0,0,2]=3 6655 B10R0.74 C=C[C@H](N)COCCCCF 34a_100016989147_100000729493 [0,1,0,0,0,0|1,0,2]=4 6656 B10R0.74 C=C[C@H](N)COCCCCO 34a_100016989147_100011216708 [0,1,0,0,0,0|1,0,2]=4 6657 B10R0.74 C=C[C@H](N)COCCCOC 34a_100016989147_100000740836 [0,1,0,0,0,0|1,0,2]=4 6658 B10R0.74 C=C[C@H](N)COCCOCC 34a_100016989147_100000210147 [0,1,0,0,0,0|1,0,2]=4 6659 B10R0.74 C=C[C@H](N)COCCSCC 34a_100016989147_100000757381 [0,1,0,0,0,0|1,0,2]=4 6660 B10R0.74 CC#CCCOCC(C)CC 34a_100000750427_100000748023 [0,1,0,0,0,0|0,0,2]=3 6661 B10R0.74 CC#CCCOCC(O)CC 34a_100000750427_100011218378 [0,1,0,0,0,0|0,0,2]=3 6662 B10R0.74 CC#CCCOCC(O)CO 34a_100000750427_100011219619 [0,1,0,0,0,0|1,0,2]=4 6663 B10R0.74 CC#CCCOC[C@@H](C)CC 34a_100000750427_100009816398 [0,1,0,0,0,0|0,0,2]=3 6664 B10R0.74 CC#CCCOC[C@@H](C)CO 34a_100000750427_100000059175 [0,1,0,0,0,0|1,0,2]=4 6665 B10R0.74 CC#CCCOC[C@@H](O)CF 34a_100000750427_100015614560 [0,1,0,0,0,0|1,0,2]=4 6666 B10R0.74 CC#CCCOC[C@@H](O)CO 34a_100000750427_100009815848 [0,1,0,0,0,0|1,0,2]=4 6667 B10R0.74 CC#CCNCCC(C)CC 2230a_100020591266_100000748600 [0,1,0,0,0,0|1,0,2]=4 6668 B10R0.74 CC#CCOCCC(C)CC 7a_100011215188_100000748600 [0,1,0,0,0,0|0,0,2]=3 6669 B10R0.74 CC#CCOCCC(C)OC 7a_100000764861_100000748600 [0,1,0,0,0,0|1,0,2]=4 6670 B10R0.74 CC(CN)COCCCCF 34a_100000744482_100000729493 [0,1,0,0,0,0|2,0,0]=3 6671 B10R0.74 CC(CN)COCCCCO 34a_100000744482_100011216708 [0,1,0,0,0,0|2,0,0]=3 6672 B10R0.74 CC(CO)CCNCCCF 2230a_106354213184_100011934791 [0,1,0,0,0,0|3,0,0]=4 6673 B10R0.74 CC(CO)CCNCCCF 34a_106354213184_100011934791 [0,1,0,0,0,0|3,0,0]=4 6674 B10R0.74 CC(CO)CCNCCCO 2230a_106354213184_100000230001 [0,1,0,0,0,0|3,0,0]=4 6675 B10R0.74 CC(CO)CCNCCCO 34a_106354213184_100000230001 [0,1,0,0,0,0|3,0,0]=4 6676 B10R0.74 CC(CO)CNCCCCF 34a_100000744482_100000729493 [0,1,0,0,0,0|3,0,0]=4 6677 B10R0.74 CC(CO)CNCCCCO 34a_100000744482_100011216708 [0,1,0,0,0,0|3,0,0]=4 6678 B10R0.74 CC/C=C\CNCC(C)CC 2230a_100020588543_100103147603 [0,1,0,0,0,0|1,0,2]=4 6679 B10R0.74 CC/C=C\CNCC(O)CC 2230a_100011218483_100103147603 [0,1,0,0,0,0|1,0,2]=4 6680 B10R0.74 CC/C=C\COCC(=O)CC 34a_100000725409_100103147603 [0,1,0,0,0,0|0,0,3]=4 6681 B10R0.74 CC/C=C\COCC(C)CC 34a_100016268518_100000748023 [0,1,0,0,0,0|0,0,2]=3 6682 B10R0.74 CC/C=C\COCC(C)CN 34a_100000744482_100103147603 [0,1,0,0,0,0|1,0,2]=4 6683 B10R0.74 CC/C=C\COCC(C)OC 34a_100000690652_100103147603 [0,1,0,0,0,0|1,0,2]=4 6684 B10R0.74 CC/C=C\COCC(Cl)CCl 34a_100000033668_100103147603 [0,1,0,0,0,0|1,0,2]=4 6685 B10R0.74 CC/C=C\COCC(O)CC 34a_100016268518_100011218378 [0,1,0,0,0,0|0,0,2]=3 6686 B10R0.74 CC/C=C\COCC(O)CO 34a_100016268518_100011219619 [0,1,0,0,0,0|1,0,2]=4 6687 B10R0.74 CC/C=C\COC[C@@H](C)CC 34a_100016268518_100009816398 [0,1,0,0,0,0|0,0,2]=3 6688 B10R0.74 CC/C=C\COC[C@@H](C)CC 7a_100009816381_100103147603 [0,1,0,0,0,0|0,0,2]=3 6689 B10R0.74 CC/C=C\COC[C@@H](C)CO 34a_100016268518_100000059175 [0,1,0,0,0,0|1,0,2]=4 6690 B10R0.74 CC/C=C\COC[C@@H](O)CF 34a_100016268518_100015614560 [0,1,0,0,0,0|1,0,2]=4 6691 B10R0.74 CC/C=C\COC[C@@H](O)CO 34a_100016268518_100009815848 [0,1,0,0,0,0|1,0,2]=4 6692 B10R0.74 CC/C=C\COC[C@H](F)CN 34a_100015665980_100103147603 [0,1,0,0,0,0|1,0,2]=4 6693 B10R0.74 CC/C=C\CSCC(C)CC 62a_100000748023_100103147603 [0,1,0,0,0,0|0,1,2]=4 6694 B10R0.74 CC/C=C\CSCC(C)CC 62a_100103147603_100000748023 [0,1,0,0,0,0|0,1,2]=4 6695 B10R0.74 CC/C=C\CSCC(O)CC 62a_100011218378_100103147603 [0,1,0,0,0,0|0,1,2]=4 6696 B10R0.74 CC/C=C\CSCC(O)CC 62a_100103147603_100011218378 [0,1,0,0,0,0|0,1,2]=4 6697 B10R0.74 CC/C=C\CSC[C@@H](C)CC 62a_100009816398_100103147603 [0,1,0,0,0,0|0,1,2]=4 6698 B10R0.74 CC/C=C\CSC[C@@H](C)CC 62a_100103147603_100009816398 [0,1,0,0,0,0|0,1,2]=4 6699 B10R0.74 CC=CCNCCC(C)CC 2230a_100020591266_100000070051 [0,1,0,0,0,0|1,0,2]=4 6700 B10R0.74 CC=CCOCCC(C)CC 7a_100011215188_100000070051 [0,1,0,0,0,0|0,0,2]=3 6701 B10R0.74 CC=CCOCCC(C)OC 7a_100000764861_100000070051 [0,1,0,0,0,0|1,0,2]=4 6702 B10R0.74 CCC#CCNCC(C)CC 2230a_100020588543_100009813939 [0,1,0,0,0,0|1,0,2]=4 6703 B10R0.74 CCC#CCNCC(O)CC 2230a_100011218483_100009813939 [0,1,0,0,0,0|1,0,2]=4 6704 B10R0.74 CCC#CCOCC(=O)CC 34a_100000725409_100009813939 [0,1,0,0,0,0|0,0,3]=4 6705 B10R0.74 CCC#CCOCC(C)CC 34a_100000032950_100000748023 [0,1,0,0,0,0|0,0,2]=3 6706 B10R0.74 CCC#CCOCC(C)CN 34a_100000744482_100009813939 [0,1,0,0,0,0|1,0,2]=4 6707 B10R0.74 CCC#CCOCC(C)OC 34a_100000690652_100009813939 [0,1,0,0,0,0|1,0,2]=4 6708 B10R0.74 CCC#CCOCC(Cl)CCl 34a_100000033668_100009813939 [0,1,0,0,0,0|1,0,2]=4 6709 B10R0.74 CCC#CCOCC(O)CC 34a_100000032950_100011218378 [0,1,0,0,0,0|0,0,2]=3 6710 B10R0.74 CCC#CCOCC(O)CO 34a_100000032950_100011219619 [0,1,0,0,0,0|1,0,2]=4 6711 B10R0.74 CCC#CCOC[C@@H](C)CC 34a_100000032950_100009816398 [0,1,0,0,0,0|0,0,2]=3 6712 B10R0.74 CCC#CCOC[C@@H](C)CC 7a_100009816381_100009813939 [0,1,0,0,0,0|0,0,2]=3 6713 B10R0.74 CCC#CCOC[C@@H](C)CO 34a_100000032950_100000059175 [0,1,0,0,0,0|1,0,2]=4 6714 B10R0.74 CCC#CCOC[C@@H](O)CF 34a_100000032950_100015614560 [0,1,0,0,0,0|1,0,2]=4 6715 B10R0.74 CCC#CCOC[C@@H](O)CO 34a_100000032950_100009815848 [0,1,0,0,0,0|1,0,2]=4 6716 B10R0.74 CCC#CCOC[C@H](F)CN 34a_100015665980_100009813939 [0,1,0,0,0,0|1,0,2]=4 6717 B10R0.74 CCC#CCSCC(C)CC 62a_100000748023_100009813939 [0,1,0,0,0,0|0,1,2]=4 6718 B10R0.74 CCC#CCSCC(C)CC 62a_100009813939_100000748023 [0,1,0,0,0,0|0,1,2]=4 6719 B10R0.74 CCC#CCSCC(O)CC 62a_100009813939_100011218378 [0,1,0,0,0,0|0,1,2]=4 6720 B10R0.74 CCC#CCSCC(O)CC 62a_100011218378_100009813939 [0,1,0,0,0,0|0,1,2]=4 6721 B10R0.74 CCC#CCSC[C@@H](C)CC 62a_100009813939_100009816398 [0,1,0,0,0,0|0,1,2]=4 6722 B10R0.74 CCC#CCSC[C@@H](C)CC 62a_100009816398_100009813939 [0,1,0,0,0,0|0,1,2]=4 6723 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,1,0,0,0,0|2,0,1]=4 6724 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,1,0,0,0,0|2,0,1]=4 6725 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,1,0,0,0,0|2,0,1]=4 6726 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,1,0,0,0,0|2,0,1]=4 6727 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [0,1,0,0,0,0|1,0,1]=3 6728 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [0,1,0,0,0,0|1,0,1]=3 6729 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,1,0,0,0,0|1,0,1]=3 6730 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,1,0,0,0,0|1,0,1]=3 6731 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,1,0,0,0,0|1,0,1]=3 6732 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,1,0,0,0,0|1,0,1]=3 6733 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,1,0,0,0,0|1,0,1]=3 6734 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [0,1,0,0,0,0|1,0,1]=3 6735 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,1,0,0,0,0|1,1,1]=4 6736 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,1,0,0,0,0|1,1,1]=4 6737 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,1,0,0,0,0|1,1,1]=4 6738 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,1,0,0,0,0|1,1,1]=4 6739 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [0,1,0,0,0,0|1,1,1]=4 6740 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [0,1,0,0,0,0|1,1,1]=4 6741 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [0,1,0,0,0,0|2,0,0]=3 6742 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [0,1,0,0,0,0|2,0,0]=3 6743 B10R0.74 CCC(C)CCCOCCF 7a_100011216074_100011217306 [0,1,0,0,0,0|3,0,0]=4 6744 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [0,1,0,0,0,0|3,0,0]=4 6745 B10R0.74 CCC(C)CCNCCC#N 2230a_100020591266_100011215226 [0,1,0,0,0,0|2,0,1]=4 6746 B10R0.74 CCC(C)CCNCCCF 2230a_100020591266_100011934791 [0,1,0,0,0,0|2,0,0]=3 6747 B10R0.74 CCC(C)CCNCCCO 2230a_100020591266_100000230001 [0,1,0,0,0,0|2,0,0]=3 6748 B10R0.74 CCC(C)CCNCCOC 2230a_100020591266_100011201679 [0,1,0,0,0,0|2,0,0]=3 6749 B10R0.74 CCC(C)CCNCCSC 2230a_100020591266_100000751147 [0,1,0,0,0,0|2,0,0]=3 6750 B10R0.74 CCC(C)CCOCCC#N 7a_100011215188_100000184422 [0,1,0,0,0,0|1,0,1]=3 6751 B10R0.74 CCC(C)CCOCCCF 7a_100011215188_100011934791 [0,1,0,0,0,0|1,0,0]=2 6752 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [0,1,0,0,0,0|1,0,0]=2 6753 B10R0.74 CCC(C)CCOCCOC 7a_100011215188_100000233755 [0,1,0,0,0,0|1,0,0]=2 6754 B10R0.74 CCC(C)CCOCCSC 7a_100011215188_100000212216 [0,1,0,0,0,0|1,0,0]=2 6755 B10R0.74 CCC(C)CNCCCC#N 2230a_100020588543_100000687738 [0,1,0,0,0,0|2,0,1]=4 6756 B10R0.74 CCC(C)CNCCCC=O 2230a_100020588543_200011292268 [0,1,0,0,0,0|2,0,1]=4 6757 B10R0.74 CCC(C)CNCCCCF 2230a_100020588543_100000729493 [0,1,0,0,0,0|2,0,0]=3 6758 B10R0.74 CCC(C)CNCCCCO 2230a_100000750430_100000748023 [0,1,0,0,0,0|2,0,0]=3 6759 B10R0.74 CCC(C)CNCCCCO 2230a_100020588543_100000210776 [0,1,0,0,0,0|2,0,0]=3 6760 B10R0.74 CCC(C)CNCCCCO 270004a_100000750430_100000243153 [0,1,0,0,0,0|2,0,0]=3 6761 B10R0.74 CCC(C)CNCCCCO 34a_100000750430_100000748023 [0,1,0,0,0,0|2,0,0]=3 6762 B10R0.74 CCC(C)CNCCCOC 2230a_100020588543_100000740836 [0,1,0,0,0,0|2,0,0]=3 6763 B10R0.74 CCC(C)CNCCCOC 270004a_100150723488_100000243153 [0,1,0,0,0,0|2,0,0]=3 6764 B10R0.74 CCC(C)CNCCCOC 34a_100150723488_100000748023 [0,1,0,0,0,0|2,0,0]=3 6765 B10R0.74 CCC(C)CNCCCSC 2230a_100000749238_100000748023 [0,1,0,0,0,0|2,0,0]=3 6766 B10R0.74 CCC(C)CNCCCSC 270004a_100000749238_100000243153 [0,1,0,0,0,0|2,0,0]=3 6767 B10R0.74 CCC(C)COCC#CCCl 34a_200000047223_100000748023 [0,1,0,0,0,0|1,0,2]=4 6768 B10R0.74 CCC(C)COCCCCBr 34a_100011216708_100000748023 [0,1,0,0,0,0|1,0,0]=2 6769 B10R0.74 CCC(C)COCCCCCl 34a_100000210776_100000748023 [0,1,0,0,0,0|1,0,0]=2 6770 B10R0.74 CCC(C)COCCCCCl 7a_100000210776_100000748023 [0,1,0,0,0,0|1,0,0]=2 6771 B10R0.74 CCC(C)COCCCCF 34a_100011995726_100000748023 [0,1,0,0,0,0|1,0,0]=2 6772 B10R0.74 CCC(C)COCCCCF 7a_100011995726_100000748023 [0,1,0,0,0,0|1,0,0]=2 6773 B10R0.74 CCC(C)COCCCCI 34a_200012148704_100000748023 [0,1,0,0,0,0|1,0,0]=2 6774 B10R0.74 CCC(C)COCCCCN 34a_100000750430_100000748023 [0,1,0,0,0,0|1,0,0]=2 6775 B10R0.74 CCC(C)COCCCNC 34a_100000213112_100000748023 [0,1,0,0,0,0|1,0,0]=2 6776 B10R0.74 CCC(C)COCCCOC 34a_100000740835_100000748023 [0,1,0,0,0,0|1,0,0]=2 6777 B10R0.74 CCC(C)COCCCSC 34a_100000690336_100000748023 [0,1,0,0,0,0|1,0,0]=2 6778 B10R0.74 CCC(C)COCCCSC 7a_100000690336_100000748023 [0,1,0,0,0,0|1,0,0]=2 6779 B10R0.74 CCC(C)CSCCCC#N 62a_100000687738_100000748023 [0,1,0,0,0,0|1,1,1]=4 6780 B10R0.74 CCC(C)CSCCCC#N 62a_100000748023_100000687738 [0,1,0,0,0,0|1,1,1]=4 6781 B10R0.74 CCC(C)CSCCCC=O 62a_100000748023_200011292268 [0,1,0,0,0,0|1,1,1]=4 6782 B10R0.74 CCC(C)CSCCCC=O 62a_200011292268_100000748023 [0,1,0,0,0,0|1,1,1]=4 6783 B10R0.74 CCC(C)CSCCCCF 62a_100000729493_100000748023 [0,1,0,0,0,0|1,1,0]=3 6784 B10R0.74 CCC(C)CSCCCCF 62a_100000748023_100000729493 [0,1,0,0,0,0|1,1,0]=3 6785 B10R0.74 CCC(C)CSCCCCO 62a_100000210776_100000748023 [0,1,0,0,0,0|1,1,0]=3 6786 B10R0.74 CCC(C)CSCCCCO 62a_100000748023_100000210776 [0,1,0,0,0,0|1,1,0]=3 6787 B10R0.74 CCC(C)CSCCCOC 62a_100000709357_100000748023 [0,1,0,0,0,0|1,1,0]=3 6788 B10R0.74 CCC(C)CSCCCOC 62a_100000748023_100000709357 [0,1,0,0,0,0|1,1,0]=3 6789 B10R0.74 CCC(C)NCCCCCF 2230a_100000209981_100000729378 [0,1,0,0,0,0|3,0,0]=4 6790 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [0,1,0,0,0,0|3,0,0]=4 6791 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [0,1,0,0,0,0|3,0,0]=4 6792 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [0,1,0,0,0,0|3,0,0]=4 6793 B10R0.74 CCC(C)NCCCCOC 2230a_100000209981_100000730899 [0,1,0,0,0,0|3,0,0]=4 6794 B10R0.74 CCC(C)NCOCCOC 2230a_100000209981_100000231047 [0,1,0,0,0,0|2,0,0]=3 6795 B10R0.74 CCC(C)OCCCCCBr 34a_100000746331_100011215416 [0,1,0,0,0,0|3,0,0]=4 6796 B10R0.74 CCC(C)OCCCCCBr 7a_100000746331_100000758301 [0,1,0,0,0,0|3,0,0]=4 6797 B10R0.74 CCC(C)OCCCCCCl 34a_100000746330_100011215416 [0,1,0,0,0,0|3,0,0]=4 6798 B10R0.74 CCC(C)OCCCCCCl 7a_100000746330_100000758301 [0,1,0,0,0,0|3,0,0]=4 6799 B10R0.74 CCC(C)OCCCCCF 7a_100000210228_100000729378 [0,1,0,0,0,0|3,0,0]=4 6800 B10R0.74 CCC(C)OCCCCCI 34a_200012148887_100011215416 [0,1,0,0,0,0|3,0,0]=4 6801 B10R0.74 CCC(C)OCCCCCI 7a_200012148887_100000758301 [0,1,0,0,0,0|3,0,0]=4 6802 B10R0.74 CCC(C)OCCCCCN 34a_100000762737_100011215416 [0,1,0,0,0,0|3,0,0]=4 6803 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [0,1,0,0,0,0|3,0,0]=4 6804 B10R0.74 CCC(C)OCCCCOC 34a_100000740925_100011215416 [0,1,0,0,0,0|3,0,0]=4 6805 B10R0.74 CCC(C)OCCCCOC 7a_100000210228_100000730899 [0,1,0,0,0,0|3,0,0]=4 6806 B10R0.74 CCC(C)OCCCCSC 34a_100011217163_100011215416 [0,1,0,0,0,0|3,0,0]=4 6807 B10R0.74 CCC(C)OCCCCSC 7a_100011217163_100000758301 [0,1,0,0,0,0|3,0,0]=4 6808 B10R0.74 CCC(C)SCCCCCF 62a_100000729378_100000758301 [0,1,0,0,0,0|3,0,0]=4 6809 B10R0.74 CCC(C)SCCCCCF 62a_100000758301_100000729378 [0,1,0,0,0,0|3,0,0]=4 6810 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [0,1,0,0,0,0|3,0,0]=4 6811 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [0,1,0,0,0,0|3,0,0]=4 6812 B10R0.74 CCC(C)SCCCCOC 62a_100000730899_100000758301 [0,1,0,0,0,0|3,0,0]=4 6813 B10R0.74 CCC(C)SCCCCOC 62a_100000758301_100000730899 [0,1,0,0,0,0|3,0,0]=4 6814 B10R0.74 CCC(C)SCOCCOC 62a_100000231047_100000758301 [0,1,0,0,0,0|2,0,0]=3 6815 B10R0.74 CCC(C)SCOCCOC 62a_100000758301_100000231047 [0,1,0,0,0,0|2,0,0]=3 6816 B10R0.74 CCC(O)CNCCCC#N 2230a_100011218483_100000687738 [0,1,0,0,0,0|2,0,1]=4 6817 B10R0.74 CCC(O)CNCCCC=O 2230a_100011218483_200011292268 [0,1,0,0,0,0|2,0,1]=4 6818 B10R0.74 CCC(O)CNCCCCF 2230a_100011218483_100000729493 [0,1,0,0,0,0|2,0,0]=3 6819 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [0,1,0,0,0,0|2,0,0]=3 6820 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [0,1,0,0,0,0|2,0,0]=3 6821 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [0,1,0,0,0,0|2,0,0]=3 6822 B10R0.74 CCC(O)CNCCCOC 2230a_100011218483_100000740836 [0,1,0,0,0,0|2,0,0]=3 6823 B10R0.74 CCC(O)CNCCCOC 34a_100150723488_100011218378 [0,1,0,0,0,0|2,0,0]=3 6824 B10R0.74 CCC(O)CNCCCSC 2230a_100000749238_100011218378 [0,1,0,0,0,0|2,0,0]=3 6825 B10R0.74 CCC(O)COCC#CCCl 34a_200000047223_100011218378 [0,1,0,0,0,0|1,0,2]=4 6826 B10R0.74 CCC(O)COCCCCBr 34a_100011216708_100011218378 [0,1,0,0,0,0|1,0,0]=2 6827 B10R0.74 CCC(O)COCCCCCl 34a_100000210776_100011218378 [0,1,0,0,0,0|1,0,0]=2 6828 B10R0.74 CCC(O)COCCCCCl 7a_100000210776_100011218378 [0,1,0,0,0,0|1,0,0]=2 6829 B10R0.74 CCC(O)COCCCCF 34a_100011995726_100011218378 [0,1,0,0,0,0|1,0,0]=2 6830 B10R0.74 CCC(O)COCCCCF 7a_100011995726_100011218378 [0,1,0,0,0,0|1,0,0]=2 6831 B10R0.74 CCC(O)COCCCCI 34a_200012148704_100011218378 [0,1,0,0,0,0|1,0,0]=2 6832 B10R0.74 CCC(O)COCCCCN 34a_100000750430_100011218378 [0,1,0,0,0,0|1,0,0]=2 6833 B10R0.74 CCC(O)COCCCNC 34a_100000213112_100011218378 [0,1,0,0,0,0|1,0,0]=2 6834 B10R0.74 CCC(O)COCCCOC 34a_100000740835_100011218378 [0,1,0,0,0,0|1,0,0]=2 6835 B10R0.74 CCC(O)COCCCSC 34a_100000690336_100011218378 [0,1,0,0,0,0|1,0,0]=2 6836 B10R0.74 CCC(O)COCCCSC 7a_100000690336_100011218378 [0,1,0,0,0,0|1,0,0]=2 6837 B10R0.74 CCC(O)CSCCCC#N 62a_100000687738_100011218378 [0,1,0,0,0,0|1,1,1]=4 6838 B10R0.74 CCC(O)CSCCCC#N 62a_100011218378_100000687738 [0,1,0,0,0,0|1,1,1]=4 6839 B10R0.74 CCC(O)CSCCCC=O 62a_100011218378_200011292268 [0,1,0,0,0,0|1,1,1]=4 6840 B10R0.74 CCC(O)CSCCCC=O 62a_200011292268_100011218378 [0,1,0,0,0,0|1,1,1]=4 6841 B10R0.74 CCC(O)CSCCCCF 62a_100000729493_100011218378 [0,1,0,0,0,0|1,1,0]=3 6842 B10R0.74 CCC(O)CSCCCCF 62a_100011218378_100000729493 [0,1,0,0,0,0|1,1,0]=3 6843 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [0,1,0,0,0,0|1,1,0]=3 6844 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [0,1,0,0,0,0|1,1,0]=3 6845 B10R0.74 CCC(O)CSCCCOC 62a_100000709357_100011218378 [0,1,0,0,0,0|1,1,0]=3 6846 B10R0.74 CCC(O)CSCCCOC 62a_100011218378_100000709357 [0,1,0,0,0,0|1,1,0]=3 6847 B10R0.74 CCC/C=C/COC(C)CC 34a_100016278788_100011215416 [0,1,0,0,0,0|2,0,1]=4 6848 B10R0.74 CCC/C=C/COC(C)CC 7a_100016278788_100000758301 [0,1,0,0,0,0|2,0,1]=4 6849 B10R0.74 CCCC#CCOC(C)CC 34a_100000034806_100011215416 [0,1,0,0,0,0|2,0,1]=4 6850 B10R0.74 CCCC#CCOC(C)CC 7a_100000034806_100000758301 [0,1,0,0,0,0|2,0,1]=4 6851 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,1,0,0,0,0|1,0,2]=4 6852 B10R0.74 CCCC=NNCC(O)CC 4a_100015206393_100000185831 [0,1,0,0,0,0|2,0,1]=4 6853 B10R0.74 CCCCC=NNC(C)CC 4a_100000718999_100000210104 [0,1,0,0,0,0|2,0,1]=4 6854 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,1,0,0,0,0|1,0,2]=4 6855 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,1,0,0,0,0|1,0,2]=4 6856 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,1,0,0,0,0|1,0,1]=3 6857 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,1,0,0,0,0|1,0,1]=3 6858 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,1,0,0,0,0|2,0,1]=4 6859 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,1,0,0,0,0|2,0,1]=4 6860 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,1,0,0,0,0|2,0,1]=4 6861 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,1,0,0,0,0|2,0,1]=4 6862 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,1,0,0,0,0|2,0,1]=4 6863 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,1,0,0,0,0|2,0,1]=4 6864 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [0,1,0,0,0,0|2,0,0]=3 6865 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [0,1,0,0,0,0|2,0,0]=3 6866 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [0,1,0,0,0,0|2,0,0]=3 6867 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [0,1,0,0,0,0|2,0,0]=3 6868 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,1,0,0,0,0|2,0,0]=3 6869 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,1,0,0,0,0|2,0,0]=3 6870 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,1,0,0,0,0|2,0,0]=3 6871 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,1,0,0,0,0|2,0,0]=3 6872 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,1,0,0,0,0|2,0,0]=3 6873 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [0,1,0,0,0,0|2,0,0]=3 6874 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [0,1,0,0,0,0|2,0,0]=3 6875 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [0,1,0,0,0,0|2,0,0]=3 6876 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [0,1,0,0,0,0|2,0,0]=3 6877 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [0,1,0,0,0,0|2,0,0]=3 6878 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [0,1,0,0,0,0|2,0,0]=3 6879 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [0,1,0,0,0,0|2,0,0]=3 6880 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [0,1,0,0,0,0|2,0,0]=3 6881 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [0,1,0,0,0,0|2,0,0]=3 6882 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [0,1,0,0,0,0|2,0,0]=3 6883 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [0,1,0,0,0,0|3,0,0]=4 6884 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [0,1,0,0,0,0|2,0,0]=3 6885 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [0,1,0,0,0,0|2,0,0]=3 6886 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,1,0,0,0,0|2,0,1]=4 6887 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,1,0,0,0,0|2,0,1]=4 6888 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,1,0,0,0,0|2,0,1]=4 6889 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,1,0,0,0,0|2,0,1]=4 6890 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [0,1,0,0,0,0|2,0,0]=3 6891 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [0,1,0,0,0,0|2,0,0]=3 6892 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,1,0,0,0,0|3,0,0]=4 6893 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,1,0,0,0,0|3,0,0]=4 6894 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,1,0,0,0,0|2,0,0]=3 6895 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,1,0,0,0,0|2,0,0]=3 6896 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,1,0,0,0,0|2,0,0]=3 6897 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [0,1,0,0,0,0|3,0,0]=4 6898 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [0,1,0,0,0,0|3,0,0]=4 6899 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [0,1,0,0,0,0|3,0,0]=4 6900 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,1,0,0,0,0|3,0,0]=4 6901 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,1,0,0,0,0|3,0,0]=4 6902 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [0,1,0,0,0,0|2,0,0]=3 6903 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [0,1,0,0,0,0|2,0,0]=3 6904 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,1,0,0,0,0|3,0,0]=4 6905 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,1,0,0,0,0|3,0,0]=4 6906 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,1,0,0,0,0|3,0,0]=4 6907 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,1,0,0,0,0|3,0,0]=4 6908 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,1,0,0,0,0|3,0,0]=4 6909 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,1,0,0,0,0|2,0,1]=4 6910 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,1,0,0,0,0|2,0,1]=4 6911 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,1,0,0,0,0|2,0,1]=4 6912 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [0,1,0,0,0,0|1,0,0]=2 6913 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [0,1,0,0,0,0|1,0,0]=2 6914 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [0,1,0,0,0,0|1,0,0]=2 6915 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,1,0,0,0,0|2,0,0]=3 6916 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,1,0,0,0,0|1,0,0]=2 6917 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,1,0,0,0,0|1,0,0]=2 6918 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,1,0,0,0,0|2,0,0]=3 6919 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [0,1,0,0,0,0|1,0,0]=2 6920 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,1,0,0,0,0|2,0,0]=3 6921 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,1,0,0,0,0|2,0,0]=3 6922 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,1,0,0,0,0|2,0,0]=3 6923 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [0,1,0,0,0,0|2,0,0]=3 6924 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,1,0,0,0,0|2,0,0]=3 6925 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,1,0,0,0,0|2,0,0]=3 6926 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,1,0,0,0,0|2,0,1]=4 6927 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,1,0,0,0,0|0,0,1]=2 6928 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,1,0,0,0,0|0,0,1]=2 6929 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,1,0,0,0,0|1,0,1]=3 6930 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,1,0,0,0,0|1,0,1]=3 6931 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,1,0,0,0,0|1,0,1]=3 6932 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,1,0,0,0,0|1,0,1]=3 6933 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,1,0,0,0,0|1,0,1]=3 6934 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [0,1,0,0,0,0|0,0,0]=1 6935 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [0,1,0,0,0,0|0,0,0]=1 6936 B10R0.74 CCCCCOCC(C)CN 34a_100000744482_100000718602 [0,1,0,0,0,0|1,0,0]=2 6937 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,1,0,0,0,0|1,0,0]=2 6938 B10R0.74 CCCCCOCC(Cl)CCl 34a_100000033668_100000718602 [0,1,0,0,0,0|1,0,0]=2 6939 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,1,0,0,0,0|0,0,0]=1 6940 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,1,0,0,0,0|0,0,0]=1 6941 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,1,0,0,0,0|1,0,0]=2 6942 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,1,0,0,0,0|1,0,0]=2 6943 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [0,1,0,0,0,0|0,0,0]=1 6944 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [0,1,0,0,0,0|0,0,0]=1 6945 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [0,1,0,0,0,0|0,0,0]=1 6946 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [0,1,0,0,0,0|1,0,0]=2 6947 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [0,1,0,0,0,0|1,0,0]=2 6948 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [0,1,0,0,0,0|1,0,0]=2 6949 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [0,1,0,0,0,0|1,0,0]=2 6950 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,1,0,0,0,0|1,0,0]=2 6951 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,1,0,0,0,0|1,0,0]=2 6952 B10R0.74 CCCCCOC[C@H](F)CN 34a_100015665980_100000718602 [0,1,0,0,0,0|1,0,0]=2 6953 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,1,0,0,0,0|0,1,1]=3 6954 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,1,0,0,0,0|0,1,1]=3 6955 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,1,0,0,0,0|1,1,1]=4 6956 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,1,0,0,0,0|1,1,1]=4 6957 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,1,0,0,0,0|1,1,1]=4 6958 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,1,0,0,0,0|1,1,1]=4 6959 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [0,1,0,0,0,0|0,1,0]=2 6960 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [0,1,0,0,0,0|0,1,0]=2 6961 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,1,0,0,0,0|0,1,0]=2 6962 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,1,0,0,0,0|0,1,0]=2 6963 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,1,0,0,0,0|1,1,0]=3 6964 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,1,0,0,0,0|1,1,0]=3 6965 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [0,1,0,0,0,0|0,1,0]=2 6966 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [0,1,0,0,0,0|0,1,0]=2 6967 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [0,1,0,0,0,0|1,1,0]=3 6968 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [0,1,0,0,0,0|1,1,0]=3 6969 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [0,1,0,0,0,0|1,1,0]=3 6970 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [0,1,0,0,0,0|1,1,0]=3 6971 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,1,0,0,0,0|1,1,0]=3 6972 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,1,0,0,0,0|1,1,0]=3 6973 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,1,0,0,0,0|2,0,1]=4 6974 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,1,0,0,0,0|2,0,1]=4 6975 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,1,0,0,0,0|2,0,1]=4 6976 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,1,0,0,0,0|2,0,1]=4 6977 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,1,0,0,0,0|2,0,1]=4 6978 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,1,0,0,0,0|2,0,1]=4 6979 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [0,1,0,0,0,0|1,0,0]=2 6980 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,1,0,0,0,0|2,0,0]=3 6981 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,1,0,0,0,0|2,0,0]=3 6982 B10R0.74 CCCCNN=CC(C)CC 4a_100025702795_100000243153 [0,1,0,0,0,0|2,0,1]=4 6983 B10R0.74 CCCCOCCC(=NO)N 34a_100000749954_100000210210 [0,1,0,0,0,0|2,0,1]=4 6984 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,1,0,0,0,0|0,0,1]=2 6985 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,1,0,0,0,0|1,0,1]=3 6986 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,1,0,0,0,0|1,0,1]=3 6987 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,1,0,0,0,0|1,0,1]=3 6988 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,1,0,0,0,0|1,0,1]=3 6989 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,1,0,0,0,0|1,0,1]=3 6990 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,1,0,0,0,0|1,0,1]=3 6991 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [0,1,0,0,0,0|0,0,0]=1 6992 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [0,1,0,0,0,0|1,0,0]=2 6993 B10R0.74 CCCCOCCN(C)CC 2230a_100000225621_100000743108 [0,1,0,0,0,0|1,0,0]=2 6994 B10R0.74 CCCCOCCN(C)CC 269982a_100000225621_100000743108 [0,1,0,0,0,0|1,0,0]=2 6995 B10R0.74 CCCCOCNC(C)C#N 2230a_100000737613_100011995733 [0,1,0,0,0,0|2,0,1]=4 6996 B10R0.74 CCCCOCNC(C)CC 2230a_100000209981_100011995733 [0,1,0,0,0,0|1,0,0]=2 6997 B10R0.74 CCCCOCN[C@H](C)CO 2230a_100000737577_100011995733 [0,1,0,0,0,0|2,0,0]=3 6998 B10R0.74 CCCCOCOC(C)C#N 34a_100011218135_100011995733 [0,1,0,0,0,0|2,0,1]=4 6999 B10R0.74 CCCCOCOC(C)CF 34a_100016041109_100011995733 [0,1,0,0,0,0|2,0,0]=3 7000 B10R0.74 CCCCOCOC(C)CN 34a_100000210904_100011995733 [0,1,0,0,0,0|2,0,0]=3 7001 B10R0.74 CCCCOCSC(C)C#N 62a_100000703298_100011995733 [0,1,0,0,0,0|2,0,1]=4 7002 B10R0.74 CCCCOCSC(C)C#N 62a_100011995733_100000703298 [0,1,0,0,0,0|2,0,1]=4 7003 B10R0.74 CCCCOCSC(C)CC 62a_100000758301_100011995733 [0,1,0,0,0,0|1,0,0]=2 7004 B10R0.74 CCCCOCSC(C)CC 62a_100011995733_100000758301 [0,1,0,0,0,0|1,0,0]=2 7005 B10R0.74 CCCCOCSC(C)CO 62a_100012180447_100011995733 [0,1,0,0,0,0|2,0,0]=3 7006 B10R0.74 CCCCOCSC(C)OC 62a_100009879195_100011995733 [0,1,0,0,0,0|2,0,0]=3 7007 B10R0.74 CCCCOCSC(C)OC 62a_100011995733_100009879195 [0,1,0,0,0,0|2,0,0]=3 7008 B10R0.74 CCCCOCSC(F)C#N 62a_100011995733_200000117898 [0,1,0,0,0,0|2,0,1]=4 7009 B10R0.74 CCCCOCSC(F)C#N 62a_200000117898_100011995733 [0,1,0,0,0,0|2,0,1]=4 7010 B10R0.74 CCCCOCS[C@H](C)CO 62a_100011995733_100016084084 [0,1,0,0,0,0|2,0,0]=3 7011 B10R0.74 CCCCOCS[C@H](C)CO 62a_100016084084_100011995733 [0,1,0,0,0,0|2,0,0]=3 7012 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,1,0,0,0,0|1,1,1]=4 7013 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,1,0,0,0,0|1,1,1]=4 7014 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,1,0,0,0,0|1,1,1]=4 7015 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,1,0,0,0,0|1,1,1]=4 7016 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,1,0,0,0,0|2,0,0]=3 7017 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [0,1,0,0,0,0|3,0,0]=4 7018 B10R0.74 CCCOCCNC(C)CC 2230a_100000209981_100011215938 [0,1,0,0,0,0|3,0,0]=4 7019 B10R0.74 CCCOCCNC(C)CC 2230a_100161115042_100000758301 [0,1,0,0,0,0|3,0,0]=4 7020 B10R0.74 CCCOCCNC(C)CC 34a_100161115042_100011215416 [0,1,0,0,0,0|3,0,0]=4 7021 B10R0.74 CCCOCCOC(C)CC 34a_100000752267_100011215416 [0,1,0,0,0,0|3,0,0]=4 7022 B10R0.74 CCCOCCOC(C)CC 7a_100000210228_100011215938 [0,1,0,0,0,0|3,0,0]=4 7023 B10R0.74 CCCOCCOC(C)CC 7a_100000752267_100000758301 [0,1,0,0,0,0|3,0,0]=4 7024 B10R0.74 CCCOCCSC(C)CC 62a_100000758301_100011215938 [0,1,0,0,0,0|3,0,0]=4 7025 B10R0.74 CCCOCCSC(C)CC 62a_100011215938_100000758301 [0,1,0,0,0,0|3,0,0]=4 7026 B10R0.74 CCCSCCCN(C)CC 62a_100000210303_100015186262 [0,1,0,0,0,0|3,0,0]=4 7027 B10R0.74 CCCSCCNC(C)CC 2230a_100020603323_100000758301 [0,1,0,0,0,0|3,0,0]=4 7028 B10R0.74 CCCSCCOC(C)CC 34a_200000230433_100011215416 [0,1,0,0,0,0|3,0,0]=4 7029 B10R0.74 CCCSCCOC(C)CC 7a_200000230433_100000758301 [0,1,0,0,0,0|3,0,0]=4 7030 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [0,1,0,0,0,0|3,0,0]=4 7031 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [0,1,0,0,0,0|3,0,0]=4 7032 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [0,1,0,0,0,0|3,0,0]=4 7033 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [0,1,0,0,0,0|3,0,0]=4 7034 B10R0.74 CCN(C)CCOCCOC 2230a_100000225621_100000695917 [0,1,0,0,0,0|2,0,0]=3 7035 B10R0.74 CCN(C)CCOCCOC 269982a_100000225621_100000695917 [0,1,0,0,0,0|2,0,0]=3 7036 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,1,0,0,0,0|2,0,1]=4 7037 B10R0.74 CCOCCCNC(C)CC 2230a_100000209981_100012232248 [0,1,0,0,0,0|3,0,0]=4 7038 B10R0.74 CCOCCCNC(C)CC 2230a_100000210961_100000758301 [0,1,0,0,0,0|3,0,0]=4 7039 B10R0.74 CCOCCCNC(C)CC 34a_100000210961_100011215416 [0,1,0,0,0,0|3,0,0]=4 7040 B10R0.74 CCOCCCOC(C)CC 34a_100000757476_100011215416 [0,1,0,0,0,0|3,0,0]=4 7041 B10R0.74 CCOCCCOC(C)CC 7a_100000210228_100012232248 [0,1,0,0,0,0|3,0,0]=4 7042 B10R0.74 CCOCCCOC(C)CC 7a_100000757476_100000758301 [0,1,0,0,0,0|3,0,0]=4 7043 B10R0.74 CCOCCCSC(C)CC 62a_100000758301_100012232248 [0,1,0,0,0,0|3,0,0]=4 7044 B10R0.74 CCOCCCSC(C)CC 62a_100012232248_100000758301 [0,1,0,0,0,0|3,0,0]=4 7045 B10R0.74 CCOCCNCC(C)CC 2230a_100020588543_100011215890 [0,1,0,0,0,0|2,0,0]=3 7046 B10R0.74 CCOCCNCC(C)CC 2230a_102516460346_100000748023 [0,1,0,0,0,0|2,0,0]=3 7047 B10R0.74 CCOCCNCC(C)CC 270004a_102516460346_100000243153 [0,1,0,0,0,0|2,0,0]=3 7048 B10R0.74 CCOCCNCC(C)CC 34a_102516460346_100000748023 [0,1,0,0,0,0|2,0,0]=3 7049 B10R0.74 CCOCCNCC(C)CO 34a_100000744482_100000210147 [0,1,0,0,0,0|3,0,0]=4 7050 B10R0.74 CCOCCNCC(O)CC 2230a_100011218483_100011215890 [0,1,0,0,0,0|2,0,0]=3 7051 B10R0.74 CCOCCNCC(O)CC 2230a_102516460346_100011218378 [0,1,0,0,0,0|2,0,0]=3 7052 B10R0.74 CCOCCNCC(O)CC 34a_102516460346_100011218378 [0,1,0,0,0,0|2,0,0]=3 7053 B10R0.74 CCOCCNCC(O)CO 2230a_102516460346_100011219619 [0,1,0,0,0,0|3,0,0]=4 7054 B10R0.74 CCOCCNCC(O)CO 34a_102516460346_100011219619 [0,1,0,0,0,0|3,0,0]=4 7055 B10R0.74 CCOCCNC[C@@H](C)CC 2230a_102516460346_100009816398 [0,1,0,0,0,0|2,0,0]=3 7056 B10R0.74 CCOCCNC[C@@H](C)CC 34a_102516460346_100009816398 [0,1,0,0,0,0|2,0,0]=3 7057 B10R0.74 CCOCCNC[C@@H](C)CO 2230a_102516460346_100000059175 [0,1,0,0,0,0|3,0,0]=4 7058 B10R0.74 CCOCCNC[C@@H](C)CO 34a_102516460346_100000059175 [0,1,0,0,0,0|3,0,0]=4 7059 B10R0.74 CCOCCNC[C@@H](C)OC 2230a_100020591295_100011215890 [0,1,0,0,0,0|3,0,0]=4 7060 B10R0.74 CCOCCNC[C@@H](F)CO 34a_100015665980_100000210147 [0,1,0,0,0,0|3,0,0]=4 7061 B10R0.74 CCOCCNC[C@@H](O)CF 2230a_102516460346_100015614560 [0,1,0,0,0,0|3,0,0]=4 7062 B10R0.74 CCOCCNC[C@@H](O)CF 34a_102516460346_100015614560 [0,1,0,0,0,0|3,0,0]=4 7063 B10R0.74 CCOCCNC[C@@H](O)CO 2230a_102516460346_100009815848 [0,1,0,0,0,0|3,0,0]=4 7064 B10R0.74 CCOCCNC[C@@H](O)CO 34a_102516460346_100009815848 [0,1,0,0,0,0|3,0,0]=4 7065 B10R0.74 CCOCCNC[C@H](O)CO 2230a_100020644852_100011215890 [0,1,0,0,0,0|3,0,0]=4 7066 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [0,1,0,0,0,0|1,0,1]=3 7067 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [0,1,0,0,0,0|1,0,1]=3 7068 B10R0.74 CCOCCOCC(=O)NC 34a_100000210136_100000183359 [0,1,0,0,0,0|2,0,1]=4 7069 B10R0.74 CCOCCOCC(=O)NC 34a_100000750040_100000210147 [0,1,0,0,0,0|2,0,1]=4 7070 B10R0.74 CCOCCOCC(=O)NC 7a_100000210136_100000183359 [0,1,0,0,0,0|2,0,1]=4 7071 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,1,0,0,0,0|2,0,1]=4 7072 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,1,0,0,0,0|2,0,1]=4 7073 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,1,0,0,0,0|2,0,1]=4 7074 B10R0.74 CCOCCOCC(C)CC 34a_100000210136_100000748023 [0,1,0,0,0,0|1,0,0]=2 7075 B10R0.74 CCOCCOCC(C)CC 7a_100000210136_100000748023 [0,1,0,0,0,0|1,0,0]=2 7076 B10R0.74 CCOCCOCC(C)CN 34a_100000744482_100000210147 [0,1,0,0,0,0|2,0,0]=3 7077 B10R0.74 CCOCCOCC(C)OC 34a_100000690652_100000210147 [0,1,0,0,0,0|2,0,0]=3 7078 B10R0.74 CCOCCOCC(Cl)CCl 34a_100000033668_100000210147 [0,1,0,0,0,0|2,0,0]=3 7079 B10R0.74 CCOCCOCC(O)CC 34a_100000210136_100011218378 [0,1,0,0,0,0|1,0,0]=2 7080 B10R0.74 CCOCCOCC(O)CC 7a_100000210136_100011218378 [0,1,0,0,0,0|1,0,0]=2 7081 B10R0.74 CCOCCOCC(O)CO 34a_100000210136_100011219619 [0,1,0,0,0,0|2,0,0]=3 7082 B10R0.74 CCOCCOCC(O)CO 7a_100000210136_100011219619 [0,1,0,0,0,0|2,0,0]=3 7083 B10R0.74 CCOCCOC[C@@H](C)CC 34a_100000210136_100009816398 [0,1,0,0,0,0|1,0,0]=2 7084 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100000210136_100009816398 [0,1,0,0,0,0|1,0,0]=2 7085 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100009816381_100011215890 [0,1,0,0,0,0|1,0,0]=2 7086 B10R0.74 CCOCCOC[C@@H](C)CO 34a_100000210136_100000059175 [0,1,0,0,0,0|2,0,0]=3 7087 B10R0.74 CCOCCOC[C@@H](C)CO 7a_100000210136_100000059175 [0,1,0,0,0,0|2,0,0]=3 7088 B10R0.74 CCOCCOC[C@@H](O)CF 34a_100000210136_100015614560 [0,1,0,0,0,0|2,0,0]=3 7089 B10R0.74 CCOCCOC[C@@H](O)CF 7a_100000210136_100015614560 [0,1,0,0,0,0|2,0,0]=3 7090 B10R0.74 CCOCCOC[C@@H](O)CO 34a_100000210136_100009815848 [0,1,0,0,0,0|2,0,0]=3 7091 B10R0.74 CCOCCOC[C@@H](O)CO 7a_100000210136_100009815848 [0,1,0,0,0,0|2,0,0]=3 7092 B10R0.74 CCOCCOC[C@H](F)CN 34a_100015665980_100000210147 [0,1,0,0,0,0|2,0,0]=3 7093 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [0,1,0,0,0,0|1,1,1]=4 7094 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [0,1,0,0,0,0|1,1,1]=4 7095 B10R0.74 CCOCCSCC(C)CC 62a_100000210147_100000748023 [0,1,0,0,0,0|1,1,0]=3 7096 B10R0.74 CCOCCSCC(C)CC 62a_100000748023_100011215890 [0,1,0,0,0,0|1,1,0]=3 7097 B10R0.74 CCOCCSCC(O)CC 62a_100000210147_100011218378 [0,1,0,0,0,0|1,1,0]=3 7098 B10R0.74 CCOCCSCC(O)CC 62a_100011218378_100011215890 [0,1,0,0,0,0|1,1,0]=3 7099 B10R0.74 CCOCCSCC(O)CO 62a_100000210147_100011219619 [0,1,0,0,0,0|2,1,0]=4 7100 B10R0.74 CCOCCSCC(O)CO 62a_100011219619_100011215890 [0,1,0,0,0,0|2,1,0]=4 7101 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100000210147_100009816398 [0,1,0,0,0,0|1,1,0]=3 7102 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100009816398_100011215890 [0,1,0,0,0,0|1,1,0]=3 7103 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000059175_100011215890 [0,1,0,0,0,0|2,1,0]=4 7104 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000210147_100000059175 [0,1,0,0,0,0|2,1,0]=4 7105 B10R0.74 CCOCCSC[C@@H](O)CF 62a_100000210147_100015614560 [0,1,0,0,0,0|2,1,0]=4 7106 B10R0.74 CCOCCSC[C@@H](O)CF 62a_100015614560_100011215890 [0,1,0,0,0,0|2,1,0]=4 7107 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100000210147_100009815848 [0,1,0,0,0,0|2,1,0]=4 7108 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100009815848_100011215890 [0,1,0,0,0,0|2,1,0]=4 7109 B10R0.74 CCSCCCOC(C)CC 34a_100011216438_100011215416 [0,1,0,0,0,0|3,0,0]=4 7110 B10R0.74 CCSCCCOC(C)CC 7a_100011216438_100000758301 [0,1,0,0,0,0|3,0,0]=4 7111 B10R0.74 CCSCCNCC(C)CC 2230a_100000106463_100000748023 [0,1,0,0,0,0|2,0,0]=3 7112 B10R0.74 CCSCCNCC(C)CC 2230a_100020588543_100000757381 [0,1,0,0,0,0|2,0,0]=3 7113 B10R0.74 CCSCCNCC(C)CC 270004a_100000106463_100000243153 [0,1,0,0,0,0|2,0,0]=3 7114 B10R0.74 CCSCCNCC(C)CO 34a_100000744482_100000757381 [0,1,0,0,0,0|3,0,0]=4 7115 B10R0.74 CCSCCNCC(O)CC 2230a_100000106463_100011218378 [0,1,0,0,0,0|2,0,0]=3 7116 B10R0.74 CCSCCNCC(O)CC 2230a_100011218483_100000757381 [0,1,0,0,0,0|2,0,0]=3 7117 B10R0.74 CCSCCNCC(O)CO 2230a_100000106463_100011219619 [0,1,0,0,0,0|3,0,0]=4 7118 B10R0.74 CCSCCNC[C@@H](C)CC 2230a_100000106463_100009816398 [0,1,0,0,0,0|2,0,0]=3 7119 B10R0.74 CCSCCNC[C@@H](C)CO 2230a_100000106463_100000059175 [0,1,0,0,0,0|3,0,0]=4 7120 B10R0.74 CCSCCNC[C@@H](C)OC 2230a_100020591295_100000757381 [0,1,0,0,0,0|3,0,0]=4 7121 B10R0.74 CCSCCNC[C@@H](F)CO 34a_100015665980_100000757381 [0,1,0,0,0,0|3,0,0]=4 7122 B10R0.74 CCSCCNC[C@@H](O)CF 2230a_100000106463_100015614560 [0,1,0,0,0,0|3,0,0]=4 7123 B10R0.74 CCSCCNC[C@@H](O)CO 2230a_100000106463_100009815848 [0,1,0,0,0,0|3,0,0]=4 7124 B10R0.74 CCSCCNC[C@H](O)CO 2230a_100020644852_100000757381 [0,1,0,0,0,0|3,0,0]=4 7125 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [0,1,0,0,0,0|1,0,1]=3 7126 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [0,1,0,0,0,0|1,0,1]=3 7127 B10R0.74 CCSCCOCC(=O)NC 34a_100000212035_100000183359 [0,1,0,0,0,0|2,0,1]=4 7128 B10R0.74 CCSCCOCC(=O)NC 34a_100000750040_100000757381 [0,1,0,0,0,0|2,0,1]=4 7129 B10R0.74 CCSCCOCC(=O)NC 7a_100000212035_100000183359 [0,1,0,0,0,0|2,0,1]=4 7130 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,1,0,0,0,0|2,0,1]=4 7131 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,1,0,0,0,0|2,0,1]=4 7132 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,1,0,0,0,0|2,0,1]=4 7133 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,1,0,0,0,0|2,0,1]=4 7134 B10R0.74 CCSCCOCC(C)CC 34a_100000212035_100000748023 [0,1,0,0,0,0|1,0,0]=2 7135 B10R0.74 CCSCCOCC(C)CC 7a_100000212035_100000748023 [0,1,0,0,0,0|1,0,0]=2 7136 B10R0.74 CCSCCOCC(C)CN 34a_100000744482_100000757381 [0,1,0,0,0,0|2,0,0]=3 7137 B10R0.74 CCSCCOCC(C)OC 34a_100000690652_100000757381 [0,1,0,0,0,0|2,0,0]=3 7138 B10R0.74 CCSCCOCC(Cl)CCl 34a_100000033668_100000757381 [0,1,0,0,0,0|2,0,0]=3 7139 B10R0.74 CCSCCOCC(O)CC 34a_100000212035_100011218378 [0,1,0,0,0,0|1,0,0]=2 7140 B10R0.74 CCSCCOCC(O)CC 7a_100000212035_100011218378 [0,1,0,0,0,0|1,0,0]=2 7141 B10R0.74 CCSCCOCC(O)CO 34a_100000212035_100011219619 [0,1,0,0,0,0|2,0,0]=3 7142 B10R0.74 CCSCCOCC(O)CO 7a_100000212035_100011219619 [0,1,0,0,0,0|2,0,0]=3 7143 B10R0.74 CCSCCOC[C@@H](C)CC 34a_100000212035_100009816398 [0,1,0,0,0,0|1,0,0]=2 7144 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100000212035_100009816398 [0,1,0,0,0,0|1,0,0]=2 7145 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100009816381_100000757381 [0,1,0,0,0,0|1,0,0]=2 7146 B10R0.74 CCSCCOC[C@@H](C)CO 34a_100000212035_100000059175 [0,1,0,0,0,0|2,0,0]=3 7147 B10R0.74 CCSCCOC[C@@H](C)CO 7a_100000212035_100000059175 [0,1,0,0,0,0|2,0,0]=3 7148 B10R0.74 CCSCCOC[C@@H](O)CF 34a_100000212035_100015614560 [0,1,0,0,0,0|2,0,0]=3 7149 B10R0.74 CCSCCOC[C@@H](O)CF 7a_100000212035_100015614560 [0,1,0,0,0,0|2,0,0]=3 7150 B10R0.74 CCSCCOC[C@@H](O)CO 34a_100000212035_100009815848 [0,1,0,0,0,0|2,0,0]=3 7151 B10R0.74 CCSCCOC[C@@H](O)CO 7a_100000212035_100009815848 [0,1,0,0,0,0|2,0,0]=3 7152 B10R0.74 CCSCCOC[C@H](F)CN 34a_100015665980_100000757381 [0,1,0,0,0,0|2,0,0]=3 7153 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [0,1,0,0,0,0|1,1,1]=4 7154 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [0,1,0,0,0,0|1,1,1]=4 7155 B10R0.74 CCSCCSCC(C)CC 62a_100000748023_100000757381 [0,1,0,0,0,0|1,1,0]=3 7156 B10R0.74 CCSCCSCC(C)CC 62a_100000757381_100000748023 [0,1,0,0,0,0|1,1,0]=3 7157 B10R0.74 CCSCCSCC(O)CC 62a_100000757381_100011218378 [0,1,0,0,0,0|1,1,0]=3 7158 B10R0.74 CCSCCSCC(O)CC 62a_100011218378_100000757381 [0,1,0,0,0,0|1,1,0]=3 7159 B10R0.74 CCSCCSCC(O)CO 62a_100000757381_100011219619 [0,1,0,0,0,0|2,1,0]=4 7160 B10R0.74 CCSCCSCC(O)CO 62a_100011219619_100000757381 [0,1,0,0,0,0|2,1,0]=4 7161 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100000757381_100009816398 [0,1,0,0,0,0|1,1,0]=3 7162 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100009816398_100000757381 [0,1,0,0,0,0|1,1,0]=3 7163 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000059175_100000757381 [0,1,0,0,0,0|2,1,0]=4 7164 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000757381_100000059175 [0,1,0,0,0,0|2,1,0]=4 7165 B10R0.74 CCSCCSC[C@@H](O)CF 62a_100000757381_100015614560 [0,1,0,0,0,0|2,1,0]=4 7166 B10R0.74 CCSCCSC[C@@H](O)CF 62a_100015614560_100000757381 [0,1,0,0,0,0|2,1,0]=4 7167 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100000757381_100009815848 [0,1,0,0,0,0|2,1,0]=4 7168 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100009815848_100000757381 [0,1,0,0,0,0|2,1,0]=4 7169 B10R0.74 CC[C@H](C)CNCCCCO 2230a_100000750430_100009816398 [0,1,0,0,0,0|2,0,0]=3 7170 B10R0.74 CC[C@H](C)CNCCCCO 34a_100000750430_100009816398 [0,1,0,0,0,0|2,0,0]=3 7171 B10R0.74 CC[C@H](C)CNCCCOC 34a_100150723488_100009816398 [0,1,0,0,0,0|2,0,0]=3 7172 B10R0.74 CC[C@H](C)CNCCCSC 2230a_100000749238_100009816398 [0,1,0,0,0,0|2,0,0]=3 7173 B10R0.74 CC[C@H](C)COCC#CCCl 34a_200000047223_100009816398 [0,1,0,0,0,0|1,0,2]=4 7174 B10R0.74 CC[C@H](C)COCC#CCO 7a_100009816381_200000047223 [0,1,0,0,0,0|1,0,2]=4 7175 B10R0.74 CC[C@H](C)COCCCC#N 7a_100009816381_100000687738 [0,1,0,0,0,0|1,0,1]=3 7176 B10R0.74 CC[C@H](C)COCCCC=O 7a_100009816381_200011292268 [0,1,0,0,0,0|1,0,1]=3 7177 B10R0.74 CC[C@H](C)COCCCCBr 34a_100011216708_100009816398 [0,1,0,0,0,0|1,0,0]=2 7178 B10R0.74 CC[C@H](C)COCCCCCl 34a_100000210776_100009816398 [0,1,0,0,0,0|1,0,0]=2 7179 B10R0.74 CC[C@H](C)COCCCCCl 7a_100000210776_100009816398 [0,1,0,0,0,0|1,0,0]=2 7180 B10R0.74 CC[C@H](C)COCCCCF 34a_100011995726_100009816398 [0,1,0,0,0,0|1,0,0]=2 7181 B10R0.74 CC[C@H](C)COCCCCF 7a_100009816381_100000729493 [0,1,0,0,0,0|1,0,0]=2 7182 B10R0.74 CC[C@H](C)COCCCCF 7a_100011995726_100009816398 [0,1,0,0,0,0|1,0,0]=2 7183 B10R0.74 CC[C@H](C)COCCCCI 34a_200012148704_100009816398 [0,1,0,0,0,0|1,0,0]=2 7184 B10R0.74 CC[C@H](C)COCCCCN 34a_100000750430_100009816398 [0,1,0,0,0,0|1,0,0]=2 7185 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [0,1,0,0,0,0|1,0,0]=2 7186 B10R0.74 CC[C@H](C)COCCCNC 34a_100000213112_100009816398 [0,1,0,0,0,0|1,0,0]=2 7187 B10R0.74 CC[C@H](C)COCCCOC 34a_100000740835_100009816398 [0,1,0,0,0,0|1,0,0]=2 7188 B10R0.74 CC[C@H](C)COCCCOC 7a_100009816381_100000740836 [0,1,0,0,0,0|1,0,0]=2 7189 B10R0.74 CC[C@H](C)COCCCSC 34a_100000690336_100009816398 [0,1,0,0,0,0|1,0,0]=2 7190 B10R0.74 CC[C@H](C)COCCCSC 7a_100000690336_100009816398 [0,1,0,0,0,0|1,0,0]=2 7191 B10R0.74 CC[C@H](C)CSCCCC#N 62a_100000687738_100009816398 [0,1,0,0,0,0|1,1,1]=4 7192 B10R0.74 CC[C@H](C)CSCCCC#N 62a_100009816398_100000687738 [0,1,0,0,0,0|1,1,1]=4 7193 B10R0.74 CC[C@H](C)CSCCCC=O 62a_100009816398_200011292268 [0,1,0,0,0,0|1,1,1]=4 7194 B10R0.74 CC[C@H](C)CSCCCC=O 62a_200011292268_100009816398 [0,1,0,0,0,0|1,1,1]=4 7195 B10R0.74 CC[C@H](C)CSCCCCF 62a_100000729493_100009816398 [0,1,0,0,0,0|1,1,0]=3 7196 B10R0.74 CC[C@H](C)CSCCCCF 62a_100009816398_100000729493 [0,1,0,0,0,0|1,1,0]=3 7197 B10R0.74 CC[C@H](C)CSCCCCO 62a_100000210776_100009816398 [0,1,0,0,0,0|1,1,0]=3 7198 B10R0.74 CC[C@H](C)CSCCCCO 62a_100009816398_100000210776 [0,1,0,0,0,0|1,1,0]=3 7199 B10R0.74 CC[C@H](C)CSCCCOC 62a_100000709357_100009816398 [0,1,0,0,0,0|1,1,0]=3 7200 B10R0.74 CC[C@H](C)CSCCCOC 62a_100009816398_100000709357 [0,1,0,0,0,0|1,1,0]=3 7201 B10R0.74 CNC(=O)CCOCCCBr 34a_100011217188_100012179268 [0,1,0,0,0,0|2,0,1]=4 7202 B10R0.74 CNC(=O)CCOCCCCl 34a_100000230001_100012179268 [0,1,0,0,0,0|2,0,1]=4 7203 B10R0.74 CNC(=O)CCOCCCF 34a_100000754576_100011934791 [0,1,0,0,0,0|2,0,1]=4 7204 B10R0.74 CNC(=O)CCOCCCF 34a_100000759539_100012179268 [0,1,0,0,0,0|2,0,1]=4 7205 B10R0.74 CNC(=O)CCOCCCN 34a_100000182051_100012179268 [0,1,0,0,0,0|2,0,1]=4 7206 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [0,1,0,0,0,0|2,0,1]=4 7207 B10R0.74 CNC(=O)CCOCCOC 11a_106832991635_100000745395 [0,1,0,0,0,0|2,0,1]=4 7208 B10R0.74 CNC(=O)CCOCCOC 1626a_100102657272_100000745395 [0,1,0,0,0,0|2,0,1]=4 7209 B10R0.74 CNC(=O)CCOCCOC 240690a_100102657272_100000745395 [0,1,0,0,0,0|2,0,1]=4 7210 B10R0.74 CNC(=O)CCOCCOC 34a_100000210237_100012179268 [0,1,0,0,0,0|2,0,1]=4 7211 B10R0.74 CNC(=O)CCOCCOC 34a_100000754576_100011201679 [0,1,0,0,0,0|2,0,1]=4 7212 B10R0.74 CNC(=O)CCOCCOC 527a_100102657272_100000745395 [0,1,0,0,0,0|2,0,1]=4 7213 B10R0.74 CNC(=O)CCOCCSC 34a_100000230434_100012179268 [0,1,0,0,0,0|2,0,1]=4 7214 B10R0.74 CNC(=O)CCOCCSC 34a_100000754576_100000212216 [0,1,0,0,0,0|2,0,1]=4 7215 B10R0.74 CNC(=O)CCOCCSC 7a_100000230434_100000737683 [0,1,0,0,0,0|2,0,1]=4 7216 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [0,1,0,0,0,0|2,0,1]=4 7217 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [0,1,0,0,0,0|2,0,1]=4 7218 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [0,1,0,0,0,0|2,0,1]=4 7219 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [0,1,0,0,0,0|2,0,1]=4 7220 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [0,1,0,0,0,0|2,0,1]=4 7221 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [0,1,0,0,0,0|2,0,1]=4 7222 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [0,1,0,0,0,0|2,0,1]=4 7223 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [0,1,0,0,0,0|2,0,1]=4 7224 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,1,0,0,0,0|2,0,1]=4 7225 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [0,1,0,0,0,0|2,0,1]=4 7226 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [0,1,0,0,0,0|2,0,1]=4 7227 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [0,1,0,0,0,0|2,0,1]=4 7228 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [0,1,0,0,0,0|2,0,1]=4 7229 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [0,1,0,0,0,0|2,0,1]=4 7230 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,1,0,0,0,0|2,0,1]=4 7231 B10R0.74 CNCCCOCC(O)CO 34a_100000213112_100011219619 [0,1,0,0,0,0|2,0,0]=3 7232 B10R0.74 CNCCCOC[C@@H](C)CO 34a_100000213112_100000059175 [0,1,0,0,0,0|2,0,0]=3 7233 B10R0.74 CNCCCOC[C@@H](O)CF 34a_100000213112_100015614560 [0,1,0,0,0,0|2,0,0]=3 7234 B10R0.74 CNCCCOC[C@@H](O)CO 34a_100000213112_100009815848 [0,1,0,0,0,0|2,0,0]=3 7235 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [0,1,0,0,0,0|2,0,1]=4 7236 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [0,1,0,0,0,0|2,0,1]=4 7237 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [0,1,0,0,0,0|2,0,1]=4 7238 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [0,1,0,0,0,0|2,0,1]=4 7239 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,1,0,0,0,0|2,0,1]=4 7240 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,1,0,0,0,0|2,0,1]=4 7241 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,1,0,0,0,0|2,0,1]=4 7242 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,1,0,0,0,0|2,0,1]=4 7243 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,1,0,0,0,0|2,0,1]=4 7244 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,1,0,0,0,0|2,0,1]=4 7245 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,1,0,0,0,0|2,0,1]=4 7246 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,1,0,0,0,0|2,0,1]=4 7247 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,1,0,0,0,0|2,0,1]=4 7248 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,1,0,0,0,0|2,0,1]=4 7249 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,1,0,0,0,0|2,0,1]=4 7250 B10R0.74 COC(C)CCOCCC#N 7a_100000764861_100000184422 [0,1,0,0,0,0|2,0,1]=4 7251 B10R0.74 COC(C)CCOCCCF 7a_100000764861_100011934791 [0,1,0,0,0,0|2,0,0]=3 7252 B10R0.74 COC(C)CCOCCCO 7a_100000764861_100011215043 [0,1,0,0,0,0|2,0,0]=3 7253 B10R0.74 COC(C)CCOCCSC 7a_100000764861_100000212216 [0,1,0,0,0,0|2,0,0]=3 7254 B10R0.74 COC(C)COCCCCF 34a_100000690652_100000729493 [0,1,0,0,0,0|2,0,0]=3 7255 B10R0.74 COC(C)COCCCCO 34a_100000690652_100011216708 [0,1,0,0,0,0|2,0,0]=3 7256 B10R0.74 COCCCNCC(C)CO 34a_100000744482_100000740836 [0,1,0,0,0,0|3,0,0]=4 7257 B10R0.74 COCCCNCC(O)CO 34a_100150723488_100011219619 [0,1,0,0,0,0|3,0,0]=4 7258 B10R0.74 COCCCNC[C@@H](C)CO 34a_100150723488_100000059175 [0,1,0,0,0,0|3,0,0]=4 7259 B10R0.74 COCCCNC[C@@H](C)OC 2230a_100020591295_100000740836 [0,1,0,0,0,0|3,0,0]=4 7260 B10R0.74 COCCCNC[C@@H](F)CO 34a_100015665980_100000740836 [0,1,0,0,0,0|3,0,0]=4 7261 B10R0.74 COCCCNC[C@@H](O)CF 34a_100150723488_100015614560 [0,1,0,0,0,0|3,0,0]=4 7262 B10R0.74 COCCCNC[C@@H](O)CO 34a_100150723488_100009815848 [0,1,0,0,0,0|3,0,0]=4 7263 B10R0.74 COCCCNC[C@H](O)CO 2230a_100020644852_100000740836 [0,1,0,0,0,0|3,0,0]=4 7264 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,1,0,0,0,0|2,0,1]=4 7265 B10R0.74 COCCCOCC(C)CN 34a_100000744482_100000740836 [0,1,0,0,0,0|2,0,0]=3 7266 B10R0.74 COCCCOCC(C)OC 34a_100000690652_100000740836 [0,1,0,0,0,0|2,0,0]=3 7267 B10R0.74 COCCCOCC(Cl)CCl 34a_100000033668_100000740836 [0,1,0,0,0,0|2,0,0]=3 7268 B10R0.74 COCCCOCC(O)CO 34a_100000740835_100011219619 [0,1,0,0,0,0|2,0,0]=3 7269 B10R0.74 COCCCOC[C@@H](C)CO 34a_100000740835_100000059175 [0,1,0,0,0,0|2,0,0]=3 7270 B10R0.74 COCCCOC[C@@H](O)CF 34a_100000740835_100015614560 [0,1,0,0,0,0|2,0,0]=3 7271 B10R0.74 COCCCOC[C@@H](O)CO 34a_100000740835_100009815848 [0,1,0,0,0,0|2,0,0]=3 7272 B10R0.74 COCCCOC[C@H](F)CN 34a_100015665980_100000740836 [0,1,0,0,0,0|2,0,0]=3 7273 B10R0.74 COCCCSCC(O)CO 62a_100000709357_100011219619 [0,1,0,0,0,0|2,1,0]=4 7274 B10R0.74 COCCCSCC(O)CO 62a_100011219619_100000709357 [0,1,0,0,0,0|2,1,0]=4 7275 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000059175_100000709357 [0,1,0,0,0,0|2,1,0]=4 7276 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000709357_100000059175 [0,1,0,0,0,0|2,1,0]=4 7277 B10R0.74 COCCCSC[C@@H](O)CF 62a_100000709357_100015614560 [0,1,0,0,0,0|2,1,0]=4 7278 B10R0.74 COCCCSC[C@@H](O)CF 62a_100015614560_100000709357 [0,1,0,0,0,0|2,1,0]=4 7279 B10R0.74 COCCCSC[C@@H](O)CO 62a_100000709357_100009815848 [0,1,0,0,0,0|2,1,0]=4 7280 B10R0.74 COCCCSC[C@@H](O)CO 62a_100009815848_100000709357 [0,1,0,0,0,0|2,1,0]=4 7281 B10R0.74 COCCNCCC(C)CO 2230a_106354213184_100011201679 [0,1,0,0,0,0|3,0,0]=4 7282 B10R0.74 COCCNCCC(C)CO 34a_106354213184_100011201679 [0,1,0,0,0,0|3,0,0]=4 7283 B10R0.74 COCCOCCC(=O)CF 1458a_100000745395_100015361967 [0,1,0,0,0,0|2,0,1]=4 7284 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,1,0,0,0,0|2,0,1]=4 7285 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,1,0,0,0,0|2,0,1]=4 7286 B10R0.74 COCCOCCC(C)OC 7a_100000764861_100000233755 [0,1,0,0,0,0|2,0,0]=3 7287 B10R0.74 COCCOCN[C@H](C)CO 2230a_100000737577_100000231047 [0,1,0,0,0,0|3,0,0]=4 7288 B10R0.74 COCCOCSC(C)CO 62a_100012180447_100000231047 [0,1,0,0,0,0|3,0,0]=4 7289 B10R0.74 COCCOCSC(C)OC 62a_100000231047_100009879195 [0,1,0,0,0,0|3,0,0]=4 7290 B10R0.74 COCCOCSC(C)OC 62a_100009879195_100000231047 [0,1,0,0,0,0|3,0,0]=4 7291 B10R0.74 COCCOCS[C@H](C)CO 62a_100000231047_100016084084 [0,1,0,0,0,0|3,0,0]=4 7292 B10R0.74 COCCOCS[C@H](C)CO 62a_100016084084_100000231047 [0,1,0,0,0,0|3,0,0]=4 7293 B10R0.74 CO[C@H](C)CNCCCCF 2230a_100020591295_100000729493 [0,1,0,0,0,0|3,0,0]=4 7294 B10R0.74 CO[C@H](C)CNCCCCO 2230a_100020591295_100000210776 [0,1,0,0,0,0|3,0,0]=4 7295 B10R0.74 CSCCCNCC(O)CO 2230a_100000749238_100011219619 [0,1,0,0,0,0|3,0,0]=4 7296 B10R0.74 CSCCCNC[C@@H](C)CO 2230a_100000749238_100000059175 [0,1,0,0,0,0|3,0,0]=4 7297 B10R0.74 CSCCCNC[C@@H](O)CF 2230a_100000749238_100015614560 [0,1,0,0,0,0|3,0,0]=4 7298 B10R0.74 CSCCCNC[C@@H](O)CO 2230a_100000749238_100009815848 [0,1,0,0,0,0|3,0,0]=4 7299 B10R0.74 CSCCCOCC(O)CO 34a_100000690336_100011219619 [0,1,0,0,0,0|2,0,0]=3 7300 B10R0.74 CSCCCOCC(O)CO 7a_100000690336_100011219619 [0,1,0,0,0,0|2,0,0]=3 7301 B10R0.74 CSCCCOC[C@@H](C)CO 34a_100000690336_100000059175 [0,1,0,0,0,0|2,0,0]=3 7302 B10R0.74 CSCCCOC[C@@H](C)CO 7a_100000690336_100000059175 [0,1,0,0,0,0|2,0,0]=3 7303 B10R0.74 CSCCCOC[C@@H](O)CF 34a_100000690336_100015614560 [0,1,0,0,0,0|2,0,0]=3 7304 B10R0.74 CSCCCOC[C@@H](O)CF 7a_100000690336_100015614560 [0,1,0,0,0,0|2,0,0]=3 7305 B10R0.74 CSCCCOC[C@@H](O)CO 34a_100000690336_100009815848 [0,1,0,0,0,0|2,0,0]=3 7306 B10R0.74 CSCCCOC[C@@H](O)CO 7a_100000690336_100009815848 [0,1,0,0,0,0|2,0,0]=3 7307 B10R0.74 CSCCNCCC(C)CO 2230a_106354213184_100000751147 [0,1,0,0,0,0|3,0,0]=4 7308 B10R0.74 CSCCNCCC(C)CO 34a_106354213184_100000212216 [0,1,0,0,0,0|3,0,0]=4 7309 B10R0.74 C[C@@H](CO)CNCCCCO 2230a_100000750430_100000059175 [0,1,0,0,0,0|3,0,0]=4 7310 B10R0.74 C[C@@H](CO)CNCCCCO 34a_100000750430_100000059175 [0,1,0,0,0,0|3,0,0]=4 7311 B10R0.74 C[C@@H](CO)COCCCCBr 34a_100011216708_100000059175 [0,1,0,0,0,0|2,0,0]=3 7312 B10R0.74 C[C@@H](CO)COCCCCCl 34a_100000210776_100000059175 [0,1,0,0,0,0|2,0,0]=3 7313 B10R0.74 C[C@@H](CO)COCCCCCl 7a_100000210776_100000059175 [0,1,0,0,0,0|2,0,0]=3 7314 B10R0.74 C[C@@H](CO)COCCCCF 34a_100011995726_100000059175 [0,1,0,0,0,0|2,0,0]=3 7315 B10R0.74 C[C@@H](CO)COCCCCF 7a_100011995726_100000059175 [0,1,0,0,0,0|2,0,0]=3 7316 B10R0.74 C[C@@H](CO)COCCCCI 34a_200012148704_100000059175 [0,1,0,0,0,0|2,0,0]=3 7317 B10R0.74 C[C@@H](CO)COCCCCN 34a_100000750430_100000059175 [0,1,0,0,0,0|2,0,0]=3 7318 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000059175_100000729493 [0,1,0,0,0,0|2,1,0]=4 7319 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000729493_100000059175 [0,1,0,0,0,0|2,1,0]=4 7320 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000059175_100000210776 [0,1,0,0,0,0|2,1,0]=4 7321 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000210776_100000059175 [0,1,0,0,0,0|2,1,0]=4 7322 B10R0.74 FCCCCOCC(Cl)CCl 34a_100000033668_100000729493 [0,1,0,0,0,0|2,0,0]=3 7323 B10R0.74 NCCCCOCC(O)CO 34a_100000750430_100011219619 [0,1,0,0,0,0|2,0,0]=3 7324 B10R0.74 NCCCCOC[C@@H](O)CF 34a_100000750430_100015614560 [0,1,0,0,0,0|2,0,0]=3 7325 B10R0.74 NCCCCOC[C@@H](O)CO 34a_100000750430_100009815848 [0,1,0,0,0,0|2,0,0]=3 7326 B10R0.74 NC[C@@H](F)COCCCCF 34a_100015665980_100000729493 [0,1,0,0,0,0|2,0,0]=3 7327 B10R0.74 NC[C@@H](F)COCCCCO 34a_100015665980_100011216708 [0,1,0,0,0,0|2,0,0]=3 7328 B10R0.74 OCC(O)COCCCCBr 34a_100011216708_100011219619 [0,1,0,0,0,0|2,0,0]=3 7329 B10R0.74 OCC(O)COCCCCCl 34a_100000210776_100011219619 [0,1,0,0,0,0|2,0,0]=3 7330 B10R0.74 OCC(O)COCCCCCl 7a_100000210776_100011219619 [0,1,0,0,0,0|2,0,0]=3 7331 B10R0.74 OCC(O)COCCCCF 34a_100011995726_100011219619 [0,1,0,0,0,0|2,0,0]=3 7332 B10R0.74 OCC(O)COCCCCF 7a_100011995726_100011219619 [0,1,0,0,0,0|2,0,0]=3 7333 B10R0.74 OCC(O)COCCCCI 34a_200012148704_100011219619 [0,1,0,0,0,0|2,0,0]=3 7334 B10R0.74 OCC(O)CSCCCCF 62a_100000729493_100011219619 [0,1,0,0,0,0|2,1,0]=4 7335 B10R0.74 OCC(O)CSCCCCF 62a_100011219619_100000729493 [0,1,0,0,0,0|2,1,0]=4 7336 B10R0.74 OCCCCNCC(O)CO 2230a_100000750430_100011219619 [0,1,0,0,0,0|3,0,0]=4 7337 B10R0.74 OCCCCNCC(O)CO 34a_100000750430_100011219619 [0,1,0,0,0,0|3,0,0]=4 7338 B10R0.74 OCCCCNC[C@@H](F)CO 34a_100015665980_100011216708 [0,1,0,0,0,0|3,0,0]=4 7339 B10R0.74 OCCCCNC[C@@H](O)CF 2230a_100000750430_100015614560 [0,1,0,0,0,0|3,0,0]=4 7340 B10R0.74 OCCCCNC[C@@H](O)CF 34a_100000750430_100015614560 [0,1,0,0,0,0|3,0,0]=4 7341 B10R0.74 OCCCCNC[C@@H](O)CO 2230a_100000750430_100009815848 [0,1,0,0,0,0|3,0,0]=4 7342 B10R0.74 OCCCCNC[C@@H](O)CO 34a_100000750430_100009815848 [0,1,0,0,0,0|3,0,0]=4 7343 B10R0.74 OCCCCNC[C@H](O)CO 2230a_100020644852_100000210776 [0,1,0,0,0,0|3,0,0]=4 7344 B10R0.74 OCCCCOCC(Cl)CCl 34a_100000033668_100011216708 [0,1,0,0,0,0|2,0,0]=3 7345 B10R0.74 OCCCCSCC(O)CO 62a_100000210776_100011219619 [0,1,0,0,0,0|2,1,0]=4 7346 B10R0.74 OCCCCSCC(O)CO 62a_100011219619_100000210776 [0,1,0,0,0,0|2,1,0]=4 7347 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100000210776_100015614560 [0,1,0,0,0,0|2,1,0]=4 7348 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100015614560_100000210776 [0,1,0,0,0,0|2,1,0]=4 7349 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100000210776_100009815848 [0,1,0,0,0,0|2,1,0]=4 7350 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100009815848_100000210776 [0,1,0,0,0,0|2,1,0]=4 7351 B10R0.74 OC[C@@H](O)CNCCCCF 2230a_100020644852_100000729493 [0,1,0,0,0,0|3,0,0]=4 7352 B10R0.74 OC[C@H](F)CNCCCCF 34a_100015665980_100000729493 [0,1,0,0,0,0|3,0,0]=4 7353 B10R0.74 OC[C@H](O)COCCCCBr 34a_100011216708_100009815848 [0,1,0,0,0,0|2,0,0]=3 7354 B10R0.74 OC[C@H](O)COCCCCCl 34a_100000210776_100009815848 [0,1,0,0,0,0|2,0,0]=3 7355 B10R0.74 OC[C@H](O)COCCCCCl 7a_100000210776_100009815848 [0,1,0,0,0,0|2,0,0]=3 7356 B10R0.74 OC[C@H](O)COCCCCF 34a_100011995726_100009815848 [0,1,0,0,0,0|2,0,0]=3 7357 B10R0.74 OC[C@H](O)COCCCCF 7a_100011995726_100009815848 [0,1,0,0,0,0|2,0,0]=3 7358 B10R0.74 OC[C@H](O)COCCCCI 34a_200012148704_100009815848 [0,1,0,0,0,0|2,0,0]=3 7359 B10R0.74 OC[C@H](O)CSCCCCF 62a_100000729493_100009815848 [0,1,0,0,0,0|2,1,0]=4 7360 B10R0.74 OC[C@H](O)CSCCCCF 62a_100009815848_100000729493 [0,1,0,0,0,0|2,1,0]=4 7361 B10R0.74 O[C@@H](CF)COCCCCBr 34a_100011216708_100015614560 [0,1,0,0,0,0|2,0,0]=3 7362 B10R0.74 O[C@@H](CF)COCCCCCl 34a_100000210776_100015614560 [0,1,0,0,0,0|2,0,0]=3 7363 B10R0.74 O[C@@H](CF)COCCCCCl 7a_100000210776_100015614560 [0,1,0,0,0,0|2,0,0]=3 7364 B10R0.74 O[C@@H](CF)COCCCCF 34a_100011995726_100015614560 [0,1,0,0,0,0|2,0,0]=3 7365 B10R0.74 O[C@@H](CF)COCCCCF 7a_100011995726_100015614560 [0,1,0,0,0,0|2,0,0]=3 7366 B10R0.74 O[C@@H](CF)COCCCCI 34a_200012148704_100015614560 [0,1,0,0,0,0|2,0,0]=3 7367 B10R0.74 O[C@@H](CF)CSCCCCF 62a_100000729493_100015614560 [0,1,0,0,0,0|2,1,0]=4 7368 B10R0.74 O[C@@H](CF)CSCCCCF 62a_100015614560_100000729493 [0,1,0,0,0,0|2,1,0]=4 7369 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [0,1,0,0,0,0|1,0,2]=4 7370 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [0,1,0,0,0,0|1,0,2]=4 7371 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000210183_100000731252 [0,1,0,0,0,0|1,0,2]=4 7372 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000690238_100000210211 [0,1,0,0,0,0|1,0,2]=4 7373 B10R0.91 C#CCCCN(C)CCCC 2230a_100000207549_100000731252 [0,1,0,0,0,0|1,0,2]=4 7374 B10R0.91 C#CCCCN(C)CCCC 269982a_100000207549_100011215417 [0,1,0,0,0,0|1,0,2]=4 7375 B10R0.91 C#CCCN(C)CCCCC 2230a_100000223495_100000688953 [0,1,0,0,0,0|1,0,2]=4 7376 B10R0.91 C#CCCN(C)CCCCC 269982a_100000223495_100000730999 [0,1,0,0,0,0|1,0,2]=4 7377 B10R0.91 C#CCCNC(C)CCCC 2230a_100000126638_100000688953 [0,1,0,0,0,0|1,0,2]=4 7378 B10R0.91 C#CCCNC(C)CCCC 34a_100000755551_200011215066 [0,1,0,0,0,0|1,0,2]=4 7379 B10R0.91 C#CCCOC(C)CCCC 34a_100000687866_100000688953 [0,1,0,0,0,0|0,0,2]=3 7380 B10R0.91 C#CCCOC(C)CCCC 34a_100011215631_200011215066 [0,1,0,0,0,0|0,0,2]=3 7381 B10R0.91 C#CCCOC(C)CCCC 7a_100000687866_100000688953 [0,1,0,0,0,0|0,0,2]=3 7382 B10R0.91 C#CCCOC(C)CCCCl 34a_200000718107_100000688953 [0,1,0,0,0,0|1,0,2]=4 7383 B10R0.91 C#CCCOC(C)CCCCl 7a_200000718107_100000688953 [0,1,0,0,0,0|1,0,2]=4 7384 B10R0.91 C#CCCOC(C)COCC 34a_100000718985_100000688953 [0,1,0,0,0,0|1,0,2]=4 7385 B10R0.91 C#CCCOC(C)COCC 7a_100000718985_100000688953 [0,1,0,0,0,0|1,0,2]=4 7386 B10R0.91 C#CCCSC(C)CCCC 62a_100000688953_200011215066 [0,1,0,0,0,0|0,1,2]=4 7387 B10R0.91 C#CCCSC(C)CCCC 62a_200011215066_100000688953 [0,1,0,0,0,0|0,1,2]=4 7388 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,1,0,0,0,0|1,0,2]=4 7389 B10R0.91 C/C=C/CN(C)CCCCC 269982a_100000223495_100102629194 [0,1,0,0,0,0|1,0,2]=4 7390 B10R0.91 C/C=C/COC(C)CCCC 34a_100000687866_100102629194 [0,1,0,0,0,0|0,0,2]=3 7391 B10R0.91 C/C=C/COC(C)CCCC 34a_100016270725_200011215066 [0,1,0,0,0,0|0,0,2]=3 7392 B10R0.91 C/C=C/COC(C)CCCC 7a_100000687866_100102629194 [0,1,0,0,0,0|0,0,2]=3 7393 B10R0.91 C/C=C/COC(C)CCCCl 34a_200000718107_100102629194 [0,1,0,0,0,0|1,0,2]=4 7394 B10R0.91 C/C=C/COC(C)CCCCl 7a_200000718107_100102629194 [0,1,0,0,0,0|1,0,2]=4 7395 B10R0.91 C/C=C/COC(C)COCC 34a_100000718985_100102629194 [0,1,0,0,0,0|1,0,2]=4 7396 B10R0.91 C/C=C/COC(C)COCC 7a_100000718985_100102629194 [0,1,0,0,0,0|1,0,2]=4 7397 B10R0.91 C/C=C/CSC(C)CCCC 62a_100102629194_200011215066 [0,1,0,0,0,0|0,1,2]=4 7398 B10R0.91 C/C=C/CSC(C)CCCC 62a_200011215066_100102629194 [0,1,0,0,0,0|0,1,2]=4 7399 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,1,0,0,0,0|1,0,2]=4 7400 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,1,0,0,0,0|1,0,2]=4 7401 B10R0.91 C=CCCC(C)NCCCC 270004a_100000102301_100000762624 [0,1,0,0,0,0|1,0,2]=4 7402 B10R0.91 C=CCCC(C)OCCCC 34a_100000765329_100000210210 [0,1,0,0,0,0|0,0,2]=3 7403 B10R0.91 C=CCCC(C)OCCCC 7a_100000765329_100000210211 [0,1,0,0,0,0|0,0,2]=3 7404 B10R0.91 C=CCCC(C)OCCCF 34a_100000765329_100011934791 [0,1,0,0,0,0|1,0,2]=4 7405 B10R0.91 C=CCCC(C)OCCCF 7a_100000765329_100011934791 [0,1,0,0,0,0|1,0,2]=4 7406 B10R0.91 C=CCCC(C)OCCCO 34a_100000765329_100000230001 [0,1,0,0,0,0|1,0,2]=4 7407 B10R0.91 C=CCCC(C)OCCCO 7a_100000765329_100011215043 [0,1,0,0,0,0|1,0,2]=4 7408 B10R0.91 C=CCCC(C)OCCOC 34a_100000765329_100011201679 [0,1,0,0,0,0|1,0,2]=4 7409 B10R0.91 C=CCCC(C)OCCOC 7a_100000765329_100000233755 [0,1,0,0,0,0|1,0,2]=4 7410 B10R0.91 C=CCCC(C)OCCSC 34a_100000765329_100000212216 [0,1,0,0,0,0|1,0,2]=4 7411 B10R0.91 C=CCCC(C)OCCSC 7a_100000765329_100000212216 [0,1,0,0,0,0|1,0,2]=4 7412 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [0,1,0,0,0,0|1,0,2]=4 7413 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [0,1,0,0,0,0|1,0,2]=4 7414 B10R0.91 C=CCCCN(C)CCCC 2230a_100000207549_100011713584 [0,1,0,0,0,0|1,0,2]=4 7415 B10R0.91 C=CCCCN(C)CCCC 269982a_100000207549_100000757094 [0,1,0,0,0,0|1,0,2]=4 7416 B10R0.91 C=CCCN(C)CCCCC 2230a_100000223495_100000754431 [0,1,0,0,0,0|1,0,2]=4 7417 B10R0.91 C=CCCN(C)CCCCC 2230a_100020639649_100000210326 [0,1,0,0,0,0|1,0,2]=4 7418 B10R0.91 C=CCCN(C)CCCCC 269982a_100000223495_100000754431 [0,1,0,0,0,0|1,0,2]=4 7419 B10R0.91 C=CCCN(C)CCCCC 269982a_100020639649_100000210215 [0,1,0,0,0,0|1,0,2]=4 7420 B10R0.91 C=CCCNC(C)CCCC 2230a_100000126638_100000754431 [0,1,0,0,0,0|1,0,2]=4 7421 B10R0.91 C=CCCNC(C)CCCC 2230a_100015191253_200011215066 [0,1,0,0,0,0|1,0,2]=4 7422 B10R0.91 C=CCCNC(C)CCCC 270004a_100015191253_100000210087 [0,1,0,0,0,0|1,0,2]=4 7423 B10R0.91 C=CCCOC(C)CCCC 34a_100000687866_100000754431 [0,1,0,0,0,0|0,0,2]=3 7424 B10R0.91 C=CCCOC(C)CCCC 34a_100011205117_200011215066 [0,1,0,0,0,0|0,0,2]=3 7425 B10R0.91 C=CCCOC(C)CCCC 7a_100000687866_100000754431 [0,1,0,0,0,0|0,0,2]=3 7426 B10R0.91 C=CCCOC(C)CCCCl 34a_200000718107_100000754431 [0,1,0,0,0,0|1,0,2]=4 7427 B10R0.91 C=CCCOC(C)CCCCl 7a_200000718107_100000754431 [0,1,0,0,0,0|1,0,2]=4 7428 B10R0.91 C=CCCOC(C)COCC 34a_100000718985_100000754431 [0,1,0,0,0,0|1,0,2]=4 7429 B10R0.91 C=CCCOC(C)COCC 7a_100000718985_100000754431 [0,1,0,0,0,0|1,0,2]=4 7430 B10R0.91 C=CCCSC(C)CCCC 62a_100000754431_200011215066 [0,1,0,0,0,0|0,1,2]=4 7431 B10R0.91 C=CCCSC(C)CCCC 62a_200011215066_100000754431 [0,1,0,0,0,0|0,1,2]=4 7432 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [0,1,0,0,0,0|1,0,2]=4 7433 B10R0.91 CC#CCN(C)CCCCC 2230a_100000223495_100000748600 [0,1,0,0,0,0|1,0,2]=4 7434 B10R0.91 CC#CCNC(C)CCCC 2230a_100000126638_100000748600 [0,1,0,0,0,0|1,0,2]=4 7435 B10R0.91 CC#CCNC(C)CCCC 2230a_100000685387_200011215066 [0,1,0,0,0,0|1,0,2]=4 7436 B10R0.91 CC#CCNC(C)CCCC 34a_100000685387_200011215066 [0,1,0,0,0,0|1,0,2]=4 7437 B10R0.91 CC#CCOC(C)CCCC 34a_100000687866_100000748600 [0,1,0,0,0,0|0,0,2]=3 7438 B10R0.91 CC#CCOC(C)CCCC 34a_100000761923_200011215066 [0,1,0,0,0,0|0,0,2]=3 7439 B10R0.91 CC#CCOC(C)CCCC 7a_100000687866_100000748600 [0,1,0,0,0,0|0,0,2]=3 7440 B10R0.91 CC#CCOC(C)CCCCl 34a_200000718107_100000748600 [0,1,0,0,0,0|1,0,2]=4 7441 B10R0.91 CC#CCOC(C)CCCCl 7a_200000718107_100000748600 [0,1,0,0,0,0|1,0,2]=4 7442 B10R0.91 CC#CCOC(C)COCC 34a_100000718985_100000748600 [0,1,0,0,0,0|1,0,2]=4 7443 B10R0.91 CC#CCOC(C)COCC 7a_100000718985_100000748600 [0,1,0,0,0,0|1,0,2]=4 7444 B10R0.91 CC#CCSC(C)CCCC 62a_100000748600_200011215066 [0,1,0,0,0,0|0,1,2]=4 7445 B10R0.91 CC#CCSC(C)CCCC 62a_200011215066_100000748600 [0,1,0,0,0,0|0,1,2]=4 7446 B10R0.91 CC(CCCCl)OCCC#N 7a_200000718107_100000184422 [0,1,0,0,0,0|2,0,1]=4 7447 B10R0.91 CC(CCCCl)OCCCF 34a_200000718107_100011934791 [0,1,0,0,0,0|2,0,0]=3 7448 B10R0.91 CC(CCCCl)OCCCF 7a_200000718107_100011934791 [0,1,0,0,0,0|2,0,0]=3 7449 B10R0.91 CC(CCCCl)OCCCO 34a_200000718107_100000230001 [0,1,0,0,0,0|2,0,0]=3 7450 B10R0.91 CC(CCCCl)OCCCO 7a_200000718107_100011215043 [0,1,0,0,0,0|2,0,0]=3 7451 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [0,1,0,0,0,0|1,0,2]=4 7452 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [0,1,0,0,0,0|1,0,2]=4 7453 B10R0.91 CC/C=C\CN(C)CCCC 2230a_100000207549_100103147603 [0,1,0,0,0,0|1,0,2]=4 7454 B10R0.91 CC/C=C\CN(C)CCCC 269982a_100000207549_100103147603 [0,1,0,0,0,0|1,0,2]=4 7455 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,1,0,0,0,0|1,0,2]=4 7456 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,1,0,0,0,0|1,0,2]=4 7457 B10R0.91 CC=CCN(C)CCCCC 2230a_100000223495_100000070051 [0,1,0,0,0,0|1,0,2]=4 7458 B10R0.91 CC=CCNC(C)CCCC 2230a_100000126638_100000070051 [0,1,0,0,0,0|1,0,2]=4 7459 B10R0.91 CC=CCOC(C)CCCC 34a_100000687866_100000070051 [0,1,0,0,0,0|0,0,2]=3 7460 B10R0.91 CC=CCOC(C)CCCC 7a_100000687866_100000070051 [0,1,0,0,0,0|0,0,2]=3 7461 B10R0.91 CC=CCOC(C)CCCCl 34a_200000718107_100000070051 [0,1,0,0,0,0|1,0,2]=4 7462 B10R0.91 CC=CCOC(C)CCCCl 7a_200000718107_100000070051 [0,1,0,0,0,0|1,0,2]=4 7463 B10R0.91 CC=CCOC(C)COCC 34a_100000718985_100000070051 [0,1,0,0,0,0|1,0,2]=4 7464 B10R0.91 CC=CCOC(C)COCC 7a_100000718985_100000070051 [0,1,0,0,0,0|1,0,2]=4 7465 B10R0.91 CC=CCSC(C)CCCC 62a_100000070051_200011215066 [0,1,0,0,0,0|0,1,2]=4 7466 B10R0.91 CC=CCSC(C)CCCC 62a_200011215066_100000070051 [0,1,0,0,0,0|0,1,2]=4 7467 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [0,1,0,0,0,0|1,0,2]=4 7468 B10R0.91 CCC#CC(C)OCCCC 34a_100000033903_100000210210 [0,1,0,0,0,0|0,0,2]=3 7469 B10R0.91 CCC#CC(C)OCCCC 7a_100000033903_100000210211 [0,1,0,0,0,0|0,0,2]=3 7470 B10R0.91 CCC#CC(C)OCCCF 34a_100000033903_100011934791 [0,1,0,0,0,0|1,0,2]=4 7471 B10R0.91 CCC#CC(C)OCCCF 7a_100000033903_100011934791 [0,1,0,0,0,0|1,0,2]=4 7472 B10R0.91 CCC#CC(C)OCCCO 34a_100000033903_100000230001 [0,1,0,0,0,0|1,0,2]=4 7473 B10R0.91 CCC#CC(C)OCCCO 7a_100000033903_100011215043 [0,1,0,0,0,0|1,0,2]=4 7474 B10R0.91 CCC#CC(C)OCCOC 34a_100000033903_100011201679 [0,1,0,0,0,0|1,0,2]=4 7475 B10R0.91 CCC#CC(C)OCCOC 7a_100000033903_100000233755 [0,1,0,0,0,0|1,0,2]=4 7476 B10R0.91 CCC#CC(C)OCCSC 34a_100000033903_100000212216 [0,1,0,0,0,0|1,0,2]=4 7477 B10R0.91 CCC#CC(C)OCCSC 7a_100000033903_100000212216 [0,1,0,0,0,0|1,0,2]=4 7478 B10R0.91 CCC#CCC(=O)CCCC 1458a_100000210183_100009813939 [0,1,0,0,0,0|1,0,2]=4 7479 B10R0.91 CCC#CCN(C)CCCC 2230a_100000207549_100009813939 [0,1,0,0,0,0|1,0,2]=4 7480 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,1,0,0,0,0|1,0,2]=4 7481 B10R0.91 CCCC#CC(=O)CCCC 1458a_200011218047_100000210211 [0,1,0,0,0,0|1,0,2]=4 7482 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [0,1,0,0,0,0|1,0,2]=4 7483 B10R0.91 CCCCC(=NNCCC)C 4a_100000740057_100000210087 [0,1,0,0,0,0|2,0,1]=4 7484 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000075515_100000210211 [0,1,0,0,0,0|2,0,1]=4 7485 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000210183_100000211468 [0,1,0,0,0,0|2,0,1]=4 7486 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [0,1,0,0,0,0|2,0,0]=3 7487 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [0,1,0,0,0,0|2,0,0]=3 7488 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [0,1,0,0,0,0|2,0,0]=3 7489 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [0,1,0,0,0,0|2,0,0]=3 7490 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [0,1,0,0,0,0|2,0,0]=3 7491 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [0,1,0,0,0,0|2,0,0]=3 7492 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [0,1,0,0,0,0|2,0,0]=3 7493 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [0,1,0,0,0,0|2,0,0]=3 7494 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [0,1,0,0,0,0|2,0,0]=3 7495 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [0,1,0,0,0,0|2,0,0]=3 7496 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [0,1,0,0,0,0|2,0,0]=3 7497 B10R0.91 CCCCC(=O)COCCO 1458a_100000708028_100000210211 [0,1,0,0,0,0|3,0,0]=4 7498 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [0,1,0,0,0,0|2,0,0]=3 7499 B10R0.91 CCCCC(=O)NCCCF 11a_100015189416_100000210183 [0,1,0,0,0,0|2,0,1]=4 7500 B10R0.91 CCCCC(=O)NCCCF 1626a_100015189416_100000210183 [0,1,0,0,0,0|2,0,1]=4 7501 B10R0.91 CCCCC(=O)NCCCF 240690a_100015189416_100000210183 [0,1,0,0,0,0|2,0,1]=4 7502 B10R0.91 CCCCC(=O)NCCCF 527a_100015189416_100000210183 [0,1,0,0,0,0|2,0,1]=4 7503 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [0,1,0,0,0,0|2,0,1]=4 7504 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [0,1,0,0,0,0|2,0,1]=4 7505 B10R0.91 CCCCC(=O)NCCOC 1626a_100000209980_100000210183 [0,1,0,0,0,0|2,0,1]=4 7506 B10R0.91 CCCCC(=O)NCCOC 240690a_100000209980_100000210183 [0,1,0,0,0,0|2,0,1]=4 7507 B10R0.91 CCCCC(=O)NCCOC 527a_100000209980_100000210183 [0,1,0,0,0,0|2,0,1]=4 7508 B10R0.91 CCCCC(=O)NCCSC 11a_100020590264_100000210183 [0,1,0,0,0,0|2,0,1]=4 7509 B10R0.91 CCCCC(=O)NCCSC 1626a_100020590264_100000210183 [0,1,0,0,0,0|2,0,1]=4 7510 B10R0.91 CCCCC(=O)NCCSC 240690a_100020590264_100000210183 [0,1,0,0,0,0|2,0,1]=4 7511 B10R0.91 CCCCC(=O)NCCSC 527a_100020590264_100000210183 [0,1,0,0,0,0|2,0,1]=4 7512 B10R0.91 CCCCC(=O)NNCCC 22a_100000740057_100000210183 [0,1,0,0,0,0|2,0,1]=4 7513 B10R0.91 CCCCC(C)COCCC 34a_100011995851_100000210303 [0,1,0,0,0,0|2,0,0]=3 7514 B10R0.91 CCCCC(C)COCCC 7a_100011995851_100000210303 [0,1,0,0,0,0|2,0,0]=3 7515 B10R0.91 CCCCC(C)COCCF 34a_100011995851_100011217306 [0,1,0,0,0,0|3,0,0]=4 7516 B10R0.91 CCCCC(C)COCCF 7a_100011995851_100011217306 [0,1,0,0,0,0|3,0,0]=4 7517 B10R0.91 CCCCC(C)COCCO 34a_100011995851_100000211926 [0,1,0,0,0,0|3,0,0]=4 7518 B10R0.91 CCCCC(C)COCCO 7a_100011995851_100000211926 [0,1,0,0,0,0|3,0,0]=4 7519 B10R0.91 CCCCC(C)COCSC 34a_100011995851_100011218213 [0,1,0,0,0,0|3,0,0]=4 7520 B10R0.91 CCCCC(C)NCCC#N 2230a_100000126638_100011215226 [0,1,0,0,0,0|2,0,1]=4 7521 B10R0.91 CCCCC(C)NCCC#N 270004a_100000720768_100000210087 [0,1,0,0,0,0|2,0,1]=4 7522 B10R0.91 CCCCC(C)NCCCF 2230a_100000126638_100011934791 [0,1,0,0,0,0|2,0,0]=3 7523 B10R0.91 CCCCC(C)NCCCF 2230a_100015189416_200011215066 [0,1,0,0,0,0|2,0,0]=3 7524 B10R0.91 CCCCC(C)NCCCF 270004a_100015189416_100000210087 [0,1,0,0,0,0|2,0,0]=3 7525 B10R0.91 CCCCC(C)NCCCF 34a_100015189416_200011215066 [0,1,0,0,0,0|2,0,0]=3 7526 B10R0.91 CCCCC(C)NCCCO 2230a_100000126638_100000230001 [0,1,0,0,0,0|2,0,0]=3 7527 B10R0.91 CCCCC(C)NCCCO 270004a_100000182051_100000210087 [0,1,0,0,0,0|2,0,0]=3 7528 B10R0.91 CCCCC(C)NCCOC 2230a_100000126638_100011201679 [0,1,0,0,0,0|2,0,0]=3 7529 B10R0.91 CCCCC(C)NCCOC 2230a_100000209980_200011215066 [0,1,0,0,0,0|2,0,0]=3 7530 B10R0.91 CCCCC(C)NCCOC 270004a_100000209980_100000210087 [0,1,0,0,0,0|2,0,0]=3 7531 B10R0.91 CCCCC(C)NCCSC 2230a_100000126638_100000751147 [0,1,0,0,0,0|2,0,0]=3 7532 B10R0.91 CCCCC(C)NCCSC 2230a_100020590264_200011215066 [0,1,0,0,0,0|2,0,0]=3 7533 B10R0.91 CCCCC(C)NCCSC 270004a_100020590264_100000210087 [0,1,0,0,0,0|2,0,0]=3 7534 B10R0.91 CCCCC(C)OCCC#N 7a_100000687866_100000184422 [0,1,0,0,0,0|1,0,1]=3 7535 B10R0.91 CCCCC(C)OCCCBr 34a_100011217188_200011215066 [0,1,0,0,0,0|1,0,0]=2 7536 B10R0.91 CCCCC(C)OCCCCl 34a_100000230001_200011215066 [0,1,0,0,0,0|1,0,0]=2 7537 B10R0.91 CCCCC(C)OCCCF 34a_100000687866_100011934791 [0,1,0,0,0,0|1,0,0]=2 7538 B10R0.91 CCCCC(C)OCCCF 34a_100000759539_200011215066 [0,1,0,0,0,0|1,0,0]=2 7539 B10R0.91 CCCCC(C)OCCCF 7a_100000687866_100011934791 [0,1,0,0,0,0|1,0,0]=2 7540 B10R0.91 CCCCC(C)OCCCN 34a_100000182051_200011215066 [0,1,0,0,0,0|1,0,0]=2 7541 B10R0.91 CCCCC(C)OCCCO 34a_100000687866_100000230001 [0,1,0,0,0,0|1,0,0]=2 7542 B10R0.91 CCCCC(C)OCCCO 7a_100000687866_100011215043 [0,1,0,0,0,0|1,0,0]=2 7543 B10R0.91 CCCCC(C)OCCOC 34a_100000210237_200011215066 [0,1,0,0,0,0|1,0,0]=2 7544 B10R0.91 CCCCC(C)OCCOC 34a_100000687866_100011201679 [0,1,0,0,0,0|1,0,0]=2 7545 B10R0.91 CCCCC(C)OCCOC 7a_100000687866_100000233755 [0,1,0,0,0,0|1,0,0]=2 7546 B10R0.91 CCCCC(C)OCCON 34a_100000700252_200011215066 [0,1,0,0,0,0|2,0,0]=3 7547 B10R0.91 CCCCC(C)OCCSC 34a_100000230434_200011215066 [0,1,0,0,0,0|1,0,0]=2 7548 B10R0.91 CCCCC(C)OCCSC 34a_100000687866_100000212216 [0,1,0,0,0,0|1,0,0]=2 7549 B10R0.91 CCCCC(C)OCCSC 7a_100000230434_200011215066 [0,1,0,0,0,0|1,0,0]=2 7550 B10R0.91 CCCCC(C)OCCSC 7a_100000687866_100000212216 [0,1,0,0,0,0|1,0,0]=2 7551 B10R0.91 CCCCC(C)SCCC#N 62a_100011215226_200011215066 [0,1,0,0,0,0|1,1,1]=4 7552 B10R0.91 CCCCC(C)SCCC#N 62a_200011215066_100011215226 [0,1,0,0,0,0|1,1,1]=4 7553 B10R0.91 CCCCC(C)SCCCF 62a_100011934791_200011215066 [0,1,0,0,0,0|1,1,0]=3 7554 B10R0.91 CCCCC(C)SCCCF 62a_200011215066_100011934791 [0,1,0,0,0,0|1,1,0]=3 7555 B10R0.91 CCCCC(C)SCCCO 62a_100011215043_200011215066 [0,1,0,0,0,0|1,1,0]=3 7556 B10R0.91 CCCCC(C)SCCCO 62a_200011215066_100011215043 [0,1,0,0,0,0|1,1,0]=3 7557 B10R0.91 CCCCC(C)SCCOC 62a_100000233755_200011215066 [0,1,0,0,0,0|1,1,0]=3 7558 B10R0.91 CCCCC(C)SCCOC 62a_200011215066_100000233755 [0,1,0,0,0,0|1,1,0]=3 7559 B10R0.91 CCCCC(C)SCCSC 62a_100000212216_200011215066 [0,1,0,0,0,0|1,1,0]=3 7560 B10R0.91 CCCCC(C)SCCSC 62a_200011215066_100000751147 [0,1,0,0,0,0|1,1,0]=3 7561 B10R0.91 CCCCC(C)SCOCC 62a_100000739092_200011215066 [0,1,0,0,0,0|1,1,0]=3 7562 B10R0.91 CCCCC(C)SCOCC 62a_200011215066_100000739092 [0,1,0,0,0,0|1,1,0]=3 7563 B10R0.91 CCCCCC(=NNCC)C 4a_100000756455_100000211708 [0,1,0,0,0,0|3,0,0]=4 7564 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [0,1,0,0,0,0|2,0,1]=4 7565 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [0,1,0,0,0,0|2,0,1]=4 7566 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,1,0,0,0,0|1,0,0]=2 7567 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,1,0,0,0,0|1,0,0]=2 7568 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,1,0,0,0,0|2,0,0]=3 7569 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,1,0,0,0,0|2,0,0]=3 7570 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,1,0,0,0,0|2,0,0]=3 7571 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,1,0,0,0,0|2,0,0]=3 7572 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,1,0,0,0,0|2,0,0]=3 7573 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,1,0,0,0,0|2,0,0]=3 7574 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [0,1,0,0,0,0|2,0,0]=3 7575 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,1,0,0,0,0|2,0,0]=3 7576 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,1,0,0,0,0|2,0,0]=3 7577 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [0,1,0,0,0,0|2,0,0]=3 7578 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [0,1,0,0,0,0|2,0,0]=3 7579 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [0,1,0,0,0,0|2,0,0]=3 7580 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [0,1,0,0,0,0|3,0,0]=4 7581 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [0,1,0,0,0,0|3,0,0]=4 7582 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [0,1,0,0,0,0|2,0,0]=3 7583 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [0,1,0,0,0,0|2,0,0]=3 7584 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [0,1,0,0,0,0|2,0,0]=3 7585 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [0,1,0,0,0,0|2,0,0]=3 7586 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [0,1,0,0,0,0|3,0,0]=4 7587 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [0,1,0,0,0,0|3,0,0]=4 7588 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [0,1,0,0,0,0|3,0,0]=4 7589 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [0,1,0,0,0,0|3,0,0]=4 7590 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [0,1,0,0,0,0|3,0,0]=4 7591 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [0,1,0,0,0,0|3,0,0]=4 7592 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [0,1,0,0,0,0|3,0,0]=4 7593 B10R0.91 CCCCCC(C)NCCC 2230a_100000211957_100000210303 [0,1,0,0,0,0|2,0,0]=3 7594 B10R0.91 CCCCCC(C)NCCC 270004a_100020643023_100000211708 [0,1,0,0,0,0|2,0,0]=3 7595 B10R0.91 CCCCCC(C)NCCF 2230a_100000211957_100011217306 [0,1,0,0,0,0|3,0,0]=4 7596 B10R0.91 CCCCCC(C)NCCF 34a_100000724931_200011218191 [0,1,0,0,0,0|3,0,0]=4 7597 B10R0.91 CCCCCC(C)NCCO 2230a_100000211957_100000211926 [0,1,0,0,0,0|3,0,0]=4 7598 B10R0.91 CCCCCC(C)NCCO 2230a_100016997473_200011218191 [0,1,0,0,0,0|3,0,0]=4 7599 B10R0.91 CCCCCC(C)NCCO 270004a_100000210304_100000211708 [0,1,0,0,0,0|3,0,0]=4 7600 B10R0.91 CCCCCC(C)NCCO 34a_100016990907_200011218191 [0,1,0,0,0,0|3,0,0]=4 7601 B10R0.91 CCCCCC(C)NCOC 2230a_100000211957_100000766300 [0,1,0,0,0,0|3,0,0]=4 7602 B10R0.91 CCCCCC(C)NCSC 2230a_100000211957_100011218213 [0,1,0,0,0,0|3,0,0]=4 7603 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [0,1,0,0,0,0|3,0,0]=4 7604 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [0,1,0,0,0,0|2,0,0]=3 7605 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [0,1,0,0,0,0|2,0,0]=3 7606 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [0,1,0,0,0,0|2,0,0]=3 7607 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [0,1,0,0,0,0|3,0,0]=4 7608 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [0,1,0,0,0,0|3,0,0]=4 7609 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [0,1,0,0,0,0|3,0,0]=4 7610 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [0,1,0,0,0,0|3,0,0]=4 7611 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [0,1,0,0,0,0|3,0,0]=4 7612 B10R0.91 CCCCCC(C)OCSC 34a_100011215632_100011218213 [0,1,0,0,0,0|3,0,0]=4 7613 B10R0.91 CCCCCC(C)SCCC 62a_100000210303_200011218191 [0,1,0,0,0,0|2,0,0]=3 7614 B10R0.91 CCCCCC(C)SCCC 62a_200011218191_100000210303 [0,1,0,0,0,0|2,0,0]=3 7615 B10R0.91 CCCCCC(C)SCCF 62a_100011217306_200011218191 [0,1,0,0,0,0|3,0,0]=4 7616 B10R0.91 CCCCCC(C)SCCF 62a_200011218191_100011217306 [0,1,0,0,0,0|3,0,0]=4 7617 B10R0.91 CCCCCC(C)SCCO 62a_100000211926_200011218191 [0,1,0,0,0,0|3,0,0]=4 7618 B10R0.91 CCCCCC(C)SCCO 62a_200011218191_100000211926 [0,1,0,0,0,0|3,0,0]=4 7619 B10R0.91 CCCCCC(C)SCOC 62a_100000766300_200011218191 [0,1,0,0,0,0|3,0,0]=4 7620 B10R0.91 CCCCCC(C)SCOC 62a_200011218191_100000766300 [0,1,0,0,0,0|3,0,0]=4 7621 B10R0.91 CCCCCC(C)SCSC 62a_100011218213_200011218191 [0,1,0,0,0,0|3,0,0]=4 7622 B10R0.91 CCCCCC(C)SCSC 62a_200011218191_100011218213 [0,1,0,0,0,0|3,0,0]=4 7623 B10R0.91 CCCCCN(C)CCC#N 2230a_100000184479_100000210326 [0,1,0,0,0,0|2,0,1]=4 7624 B10R0.91 CCCCCN(C)CCC#N 2230a_100000223495_100011215226 [0,1,0,0,0,0|2,0,1]=4 7625 B10R0.91 CCCCCN(C)CCC#N 2230a_200000177445_200000210301 [0,1,0,0,0,0|2,0,1]=4 7626 B10R0.91 CCCCCN(C)CCC#N 269982a_100000223495_100011215226 [0,1,0,0,0,0|2,0,1]=4 7627 B10R0.91 CCCCCN(C)CCCC 2230a_100000207549_100000210326 [0,1,0,0,0,0|1,0,0]=2 7628 B10R0.91 CCCCCN(C)CCCC 2230a_100000223495_100000210211 [0,1,0,0,0,0|1,0,0]=2 7629 B10R0.91 CCCCCN(C)CCCC 269982a_100000207549_100000210215 [0,1,0,0,0,0|1,0,0]=2 7630 B10R0.91 CCCCCN(C)CCCC 269982a_100000223495_100000210211 [0,1,0,0,0,0|1,0,0]=2 7631 B10R0.91 CCCCCN(C)CCCF 2230a_100000223495_100011934791 [0,1,0,0,0,0|2,0,0]=3 7632 B10R0.91 CCCCCN(C)CCCF 269982a_100000223495_100011934791 [0,1,0,0,0,0|2,0,0]=3 7633 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [0,1,0,0,0,0|2,0,0]=3 7634 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [0,1,0,0,0,0|2,0,0]=3 7635 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [0,1,0,0,0,0|2,0,0]=3 7636 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [0,1,0,0,0,0|2,0,0]=3 7637 B10R0.91 CCCCCN(C)CCOC 2230a_100000223495_100011201679 [0,1,0,0,0,0|2,0,0]=3 7638 B10R0.91 CCCCCN(C)CCOC 2230a_100000743101_100000210326 [0,1,0,0,0,0|2,0,0]=3 7639 B10R0.91 CCCCCN(C)CCOC 269982a_100000223495_100000233755 [0,1,0,0,0,0|2,0,0]=3 7640 B10R0.91 CCCCCN(C)CCOC 269982a_100000743101_100000210215 [0,1,0,0,0,0|2,0,0]=3 7641 B10R0.91 CCCCCN(C)CCSC 2230a_100000223495_100000751147 [0,1,0,0,0,0|2,0,0]=3 7642 B10R0.91 CCCCCN(C)CCSC 2230a_100000686725_100000210326 [0,1,0,0,0,0|2,0,0]=3 7643 B10R0.91 CCCCCN(C)CCSC 269982a_100000223495_100000212216 [0,1,0,0,0,0|2,0,0]=3 7644 B10R0.91 CCCCCN(C)CCSC 269982a_100000686725_100000210215 [0,1,0,0,0,0|2,0,0]=3 7645 B10R0.91 CCCCCN(C)COCC 269982a_100000223495_100000739092 [0,1,0,0,0,0|2,0,0]=3 7646 B10R0.91 CCCCCN([13CH3])CCC#N 2230a_200000177445_200025704644 [0,1,0,0,0,0|2,0,1]=4 7647 B10R0.91 CCCCN(C)CCCC#N 2230a_100000207549_100000687738 [0,1,0,0,0,0|2,0,1]=4 7648 B10R0.91 CCCCN(C)CCCC#N 269982a_100000207549_100000687738 [0,1,0,0,0,0|2,0,1]=4 7649 B10R0.91 CCCCN(C)CCCC=O 2230a_100000207549_200011292268 [0,1,0,0,0,0|2,0,1]=4 7650 B10R0.91 CCCCN(C)CCCC=O 269982a_100000207549_200011292268 [0,1,0,0,0,0|2,0,1]=4 7651 B10R0.91 CCCCN(C)CCCCF 2230a_100000207549_100000729493 [0,1,0,0,0,0|2,0,0]=3 7652 B10R0.91 CCCCN(C)CCCCF 269982a_100000207549_100000729493 [0,1,0,0,0,0|2,0,0]=3 7653 B10R0.91 CCCCN(C)CCCCO 2230a_100000207549_100000210776 [0,1,0,0,0,0|2,0,0]=3 7654 B10R0.91 CCCCN(C)CCCCO 2230a_100000717598_100000210211 [0,1,0,0,0,0|2,0,0]=3 7655 B10R0.91 CCCCN(C)CCCCO 2230a_200011216965_200000210301 [0,1,0,0,0,0|2,0,0]=3 7656 B10R0.91 CCCCN(C)CCCCO 269982a_100000207549_100000210776 [0,1,0,0,0,0|2,0,0]=3 7657 B10R0.91 CCCCN(C)CCCCO 269982a_100000717598_100000210211 [0,1,0,0,0,0|2,0,0]=3 7658 B10R0.91 CCCCN(C)CCCCO 269982a_200011216965_200000210301 [0,1,0,0,0,0|2,0,0]=3 7659 B10R0.91 CCCCN(C)CCCOC 2230a_100000207549_100000740836 [0,1,0,0,0,0|2,0,0]=3 7660 B10R0.91 CCCCN(C)CCCOC 2230a_100000224831_100000210211 [0,1,0,0,0,0|2,0,0]=3 7661 B10R0.91 CCCCN(C)CCCOC 269982a_100000207549_100000740836 [0,1,0,0,0,0|2,0,0]=3 7662 B10R0.91 CCCCN(C)CCCOC 269982a_100000224831_100000210211 [0,1,0,0,0,0|2,0,0]=3 7663 B10R0.91 CCCCN(C)CCOCC 2230a_100000207549_100011215890 [0,1,0,0,0,0|2,0,0]=3 7664 B10R0.91 CCCCN(C)CCOCC 269982a_100000207549_100011215890 [0,1,0,0,0,0|2,0,0]=3 7665 B10R0.91 CCCCN(C)CCSCC 2230a_100000207549_100000757381 [0,1,0,0,0,0|2,0,0]=3 7666 B10R0.91 CCCCN(C)CCSCC 269982a_100000207549_100000757381 [0,1,0,0,0,0|2,0,0]=3 7667 B10R0.91 CCCCN([13CH3])CCCCO 2230a_200011216965_200025704644 [0,1,0,0,0,0|2,0,0]=3 7668 B10R0.91 CCCCN([13CH3])CCCCO 269982a_200011216965_200025704644 [0,1,0,0,0,0|2,0,0]=3 7669 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [0,1,0,0,0,0|1,0,1]=3 7670 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [0,1,0,0,0,0|1,0,1]=3 7671 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [0,1,0,0,0,0|1,0,1]=3 7672 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [0,1,0,0,0,0|1,0,1]=3 7673 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [0,1,0,0,0,0|2,0,1]=4 7674 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [0,1,0,0,0,0|2,0,1]=4 7675 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [0,1,0,0,0,0|2,0,1]=4 7676 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [0,1,0,0,0,0|2,0,1]=4 7677 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [0,1,0,0,0,0|2,0,1]=4 7678 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [0,1,0,0,0,0|2,0,1]=4 7679 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [0,1,0,0,0,0|2,0,1]=4 7680 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [0,1,0,0,0,0|2,0,1]=4 7681 B10R0.91 CCCCNC(=O)CNCC 2230a_100015525214_100000182744 [0,1,0,0,0,0|2,0,1]=4 7682 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [0,1,0,0,0,0|2,0,1]=4 7683 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [0,1,0,0,0,0|2,0,1]=4 7684 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [0,1,0,0,0,0|2,0,1]=4 7685 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [0,1,0,0,0,0|2,0,1]=4 7686 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [0,1,0,0,0,0|2,0,1]=4 7687 B10R0.91 CCCCNC(=O)CSCC 11a_100000102301_100000230394 [0,1,0,0,0,0|2,0,1]=4 7688 B10R0.91 CCCCNC(=O)CSCC 1626a_100000102301_100000230394 [0,1,0,0,0,0|2,0,1]=4 7689 B10R0.91 CCCCNC(=O)CSCC 240690a_100000102301_100000230394 [0,1,0,0,0,0|2,0,1]=4 7690 B10R0.91 CCCCNC(=O)CSCC 527a_100000102301_100000230394 [0,1,0,0,0,0|2,0,1]=4 7691 B10R0.91 CCCCNC(=O)CSCC 62a_100000182744_100000210202 [0,1,0,0,0,0|2,0,1]=4 7692 B10R0.91 CCCCNC(=O)CSCC 62a_100000210202_100000182744 [0,1,0,0,0,0|2,0,1]=4 7693 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [0,1,0,0,0,0|2,0,1]=4 7694 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [0,1,0,0,0,0|2,0,1]=4 7695 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [0,1,0,0,0,0|2,0,1]=4 7696 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [0,1,0,0,0,0|2,0,1]=4 7697 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [0,1,0,0,0,0|2,0,1]=4 7698 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [0,1,0,0,0,0|2,0,1]=4 7699 B10R0.91 CCCCNC(C)CCCC 2230a_100000102301_200011215066 [0,1,0,0,0,0|1,0,0]=2 7700 B10R0.91 CCCCNC(C)CCCC 2230a_100000126638_100000210211 [0,1,0,0,0,0|1,0,0]=2 7701 B10R0.91 CCCCNC(C)CCCC 270004a_100000102301_100000210087 [0,1,0,0,0,0|1,0,0]=2 7702 B10R0.91 CCCCNC(C)CCCC 7a_106832991798_200011215066 [0,1,0,0,0,0|1,0,0]=2 7703 B10R0.91 CCCCNC(C)CCOC 270004a_100000102301_100000742357 [0,1,0,0,0,0|2,0,0]=3 7704 B10R0.91 CCCCNC(C)CCSC 270004a_100000102301_100011217047 [0,1,0,0,0,0|2,0,0]=3 7705 B10R0.91 CCCCNC(C)CSCC 270004a_100000102301_200011216171 [0,1,0,0,0,0|2,0,0]=3 7706 B10R0.91 CCCCOC(=O)CNCC 2230a_100015525214_100000211628 [0,1,0,0,0,0|1,0,1]=3 7707 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [0,1,0,0,0,0|1,0,1]=3 7708 B10R0.91 CCCCOC(=O)CSCC 62a_100000210202_100000211628 [0,1,0,0,0,0|1,0,1]=3 7709 B10R0.91 CCCCOC(=O)CSCC 62a_100000211628_100000210202 [0,1,0,0,0,0|1,0,1]=3 7710 B10R0.91 CCCCOC(=O)CSCF 62a_100000211628_100015361967 [0,1,0,0,0,0|2,0,1]=4 7711 B10R0.91 CCCCOC(=O)CSCF 62a_100015361967_100000211628 [0,1,0,0,0,0|2,0,1]=4 7712 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [0,1,0,0,0,0|0,0,0]=1 7713 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [0,1,0,0,0,0|0,0,0]=1 7714 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [0,1,0,0,0,0|0,0,0]=1 7715 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [0,1,0,0,0,0|0,0,0]=1 7716 B10R0.91 CCCCOC(C)CCCCl 34a_200000718107_100000210210 [0,1,0,0,0,0|1,0,0]=2 7717 B10R0.91 CCCCOC(C)CCCCl 7a_200000718107_100000210211 [0,1,0,0,0,0|1,0,0]=2 7718 B10R0.91 CCCCOC(C)COCC 34a_100000718985_100000210210 [0,1,0,0,0,0|1,0,0]=2 7719 B10R0.91 CCCCOC(C)COCC 7a_100000718985_100000210211 [0,1,0,0,0,0|1,0,0]=2 7720 B10R0.91 CCCCSC(C)CCCC 62a_100000210211_200011215066 [0,1,0,0,0,0|0,1,0]=2 7721 B10R0.91 CCCCSC(C)CCCC 62a_200011215066_100000210210 [0,1,0,0,0,0|0,1,0]=2 7722 B10R0.91 CCCC[C@H](N)COCCC 34a_100011934283_100000210303 [0,1,0,0,0,0|2,0,0]=3 7723 B10R0.91 CCCC[C@H](N)COCCF 34a_100011934283_100011217306 [0,1,0,0,0,0|3,0,0]=4 7724 B10R0.91 CCCC[C@H](N)COCCO 34a_100011934283_100000211926 [0,1,0,0,0,0|3,0,0]=4 7725 B10R0.91 CCCC[C@H](N)COCSC 34a_100011934283_100011218213 [0,1,0,0,0,0|3,0,0]=4 7726 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [0,1,0,0,0,0|3,0,0]=4 7727 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [0,1,0,0,0,0|3,0,0]=4 7728 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [0,1,0,0,0,0|3,0,0]=4 7729 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [0,1,0,0,0,0|3,0,0]=4 7730 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [0,1,0,0,0,0|3,0,0]=4 7731 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [0,1,0,0,0,0|3,0,0]=4 7732 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [0,1,0,0,0,0|3,0,0]=4 7733 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [0,1,0,0,0,0|3,0,0]=4 7734 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [0,1,0,0,0,0|3,0,0]=4 7735 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [0,1,0,0,0,0|3,0,0]=4 7736 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [0,1,0,0,0,0|3,0,0]=4 7737 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [0,1,0,0,0,0|3,0,0]=4 7738 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [0,1,0,0,0,0|3,0,0]=4 7739 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [0,1,0,0,0,0|3,0,0]=4 7740 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [0,1,0,0,0,0|3,0,0]=4 7741 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [0,1,0,0,0,0|3,0,0]=4 7742 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [0,1,0,0,0,0|3,0,0]=4 7743 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [0,1,0,0,0,0|3,0,0]=4 7744 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [0,1,0,0,0,0|3,0,0]=4 7745 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [0,1,0,0,0,0|3,0,0]=4 7746 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [0,1,0,0,0,0|3,0,0]=4 7747 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [0,1,0,0,0,0|3,0,0]=4 7748 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [0,1,0,0,0,0|3,0,0]=4 7749 B10R0.91 CCCNC(=O)COCCC 11a_100020643023_100000745993 [0,1,0,0,0,0|3,0,0]=4 7750 B10R0.91 CCCNC(=O)COCCC 1626a_100020643023_100000745993 [0,1,0,0,0,0|3,0,0]=4 7751 B10R0.91 CCCNC(=O)COCCC 240690a_100020643023_100000745993 [0,1,0,0,0,0|3,0,0]=4 7752 B10R0.91 CCCNC(=O)COCCC 34a_100000210258_100000183358 [0,1,0,0,0,0|3,0,0]=4 7753 B10R0.91 CCCNC(=O)COCCC 527a_100020643023_100000745993 [0,1,0,0,0,0|3,0,0]=4 7754 B10R0.91 CCCNC(=O)CSCCC 11a_100020643023_100000217233 [0,1,0,0,0,0|3,0,0]=4 7755 B10R0.91 CCCNC(=O)CSCCC 1626a_100020643023_100000217233 [0,1,0,0,0,0|3,0,0]=4 7756 B10R0.91 CCCNC(=O)CSCCC 240690a_100020643023_100000217233 [0,1,0,0,0,0|3,0,0]=4 7757 B10R0.91 CCCNC(=O)CSCCC 527a_100020643023_100000217233 [0,1,0,0,0,0|3,0,0]=4 7758 B10R0.91 CCCNC(=O)CSCCC 62a_100000183358_100000210303 [0,1,0,0,0,0|3,0,0]=4 7759 B10R0.91 CCCNC(=O)CSCCC 62a_100000210303_100000183358 [0,1,0,0,0,0|3,0,0]=4 7760 B10R0.91 CCCNC(C)CCCSC 270004a_100020643023_100011399439 [0,1,0,0,0,0|3,0,0]=4 7761 B10R0.91 CCCNC(C)CCOCC 270004a_100020643023_200011216536 [0,1,0,0,0,0|3,0,0]=4 7762 B10R0.91 CCCNC(C)CSCCC 270004a_100020643023_100011343953 [0,1,0,0,0,0|3,0,0]=4 7763 B10R0.91 CCCNCC(=O)NCCC 2230a_100000174927_100000210303 [0,1,0,0,0,0|3,0,0]=4 7764 B10R0.91 CCCNCC(C)OCCC 2230a_100015185124_100000210303 [0,1,0,0,0,0|3,0,0]=4 7765 B10R0.91 CCCNCC(C)OCCC 34a_100015185124_100000210303 [0,1,0,0,0,0|3,0,0]=4 7766 B10R0.91 CCCNCC(O)COCC 2230a_102515437182_100000210303 [0,1,0,0,0,0|3,0,0]=4 7767 B10R0.91 CCCNCC(O)COCC 34a_102515437182_100000210303 [0,1,0,0,0,0|3,0,0]=4 7768 B10R0.91 CCCNC[C@H](C)CCCO 2230a_100160569302_100000210303 [0,1,0,0,0,0|3,0,0]=4 7769 B10R0.91 CCCNC[C@H](C)CCCO 34a_100160569302_100000210303 [0,1,0,0,0,0|3,0,0]=4 7770 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [0,1,0,0,0,0|3,0,0]=4 7771 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [0,1,0,0,0,0|3,0,0]=4 7772 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [0,1,0,0,0,0|2,0,1]=4 7773 B10R0.91 CCCOC(=O)OCSCC 62a_100000210202_200000139673 [0,1,0,0,0,0|2,0,1]=4 7774 B10R0.91 CCCOC(C)CCCOC 34a_200011539412_100000210303 [0,1,0,0,0,0|3,0,0]=4 7775 B10R0.91 CCCOC(C)CCCOC 7a_200011539412_100000210303 [0,1,0,0,0,0|3,0,0]=4 7776 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [0,1,0,0,0,0|3,0,0]=4 7777 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [0,1,0,0,0,0|3,0,0]=4 7778 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [0,1,0,0,0,0|3,0,0]=4 7779 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [0,1,0,0,0,0|3,0,0]=4 7780 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [0,1,0,0,0,0|3,0,0]=4 7781 B10R0.91 CCCOC[C@@H](N)CCSC 34a_100011827619_100000210303 [0,1,0,0,0,0|3,0,0]=4 7782 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [0,1,0,0,0,0|3,0,0]=4 7783 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [0,1,0,0,0,0|3,0,0]=4 7784 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [0,1,0,0,0,0|3,0,0]=4 7785 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [0,1,0,0,0,0|3,0,0]=4 7786 B10R0.91 CCNCC(=O)OCCOC 2230a_100015525214_200000040189 [0,1,0,0,0,0|2,0,1]=4 7787 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [0,1,0,0,0,0|3,0,0]=4 7788 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [0,1,0,0,0,0|3,0,0]=4 7789 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [0,1,0,0,0,0|3,0,0]=4 7790 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [0,1,0,0,0,0|3,0,0]=4 7791 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [0,1,0,0,0,0|2,0,1]=4 7792 B10R0.91 CCOCC(C)OCCC#N 7a_100000718985_100000184422 [0,1,0,0,0,0|2,0,1]=4 7793 B10R0.91 CCOCC(C)OCCCF 34a_100000718985_100011934791 [0,1,0,0,0,0|2,0,0]=3 7794 B10R0.91 CCOCC(C)OCCCF 7a_100000718985_100011934791 [0,1,0,0,0,0|2,0,0]=3 7795 B10R0.91 CCOCC(C)OCCCO 34a_100000718985_100000230001 [0,1,0,0,0,0|2,0,0]=3 7796 B10R0.91 CCOCC(C)OCCCO 7a_100000718985_100011215043 [0,1,0,0,0,0|2,0,0]=3 7797 B10R0.91 CCOCC(C)OCCOC 34a_100000718985_100011201679 [0,1,0,0,0,0|2,0,0]=3 7798 B10R0.91 CCOCC(C)OCCOC 7a_100000718985_100000233755 [0,1,0,0,0,0|2,0,0]=3 7799 B10R0.91 CCOCC(C)OCCSC 34a_100000718985_100000212216 [0,1,0,0,0,0|2,0,0]=3 7800 B10R0.91 CCOCC(C)OCCSC 7a_100000718985_100000212216 [0,1,0,0,0,0|2,0,0]=3 7801 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [0,1,0,0,0,0|3,0,0]=4 7802 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [0,1,0,0,0,0|3,0,0]=4 7803 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [0,1,0,0,0,0|3,0,0]=4 7804 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [0,1,0,0,0,0|3,0,0]=4 7805 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [0,1,0,0,0,0|3,0,0]=4 7806 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [0,1,0,0,0,0|3,0,0]=4 7807 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [0,1,0,0,0,0|3,0,0]=4 7808 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [0,1,0,0,0,0|3,0,0]=4 7809 B10R0.91 CCOCCN(C)CCCO 2230a_100000213112_100011215890 [0,1,0,0,0,0|3,0,0]=4 7810 B10R0.91 CCOCCN(C)CCCO 269982a_100000213112_100011215890 [0,1,0,0,0,0|3,0,0]=4 7811 B10R0.91 CCOCCN(C)CCOC 2230a_100000743101_100011215890 [0,1,0,0,0,0|3,0,0]=4 7812 B10R0.91 CCOCCN(C)CCOC 269982a_100000743101_100011215890 [0,1,0,0,0,0|3,0,0]=4 7813 B10R0.91 CCOCCN(C)CCSC 2230a_100000686725_100011215890 [0,1,0,0,0,0|3,0,0]=4 7814 B10R0.91 CCOCCN(C)CCSC 269982a_100000686725_100011215890 [0,1,0,0,0,0|3,0,0]=4 7815 B10R0.91 CCOCN(C)CCCCO 269982a_100000717598_100000739092 [0,1,0,0,0,0|3,0,0]=4 7816 B10R0.91 CCOCN(C)CCCOC 269982a_100000224831_100000739092 [0,1,0,0,0,0|3,0,0]=4 7817 B10R0.91 CCOC[C@@H](N)CCCCN 34a_100016993712_100000210202 [0,1,0,0,0,0|3,0,0]=4 7818 B10R0.91 CCSCC(=O)CCCCF 1458a_100000230394_100000729493 [0,1,0,0,0,0|3,0,0]=4 7819 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [0,1,0,0,0,0|3,0,0]=4 7820 B10R0.91 CCSCC(=O)CCCOC 1458a_100000230394_100000740836 [0,1,0,0,0,0|3,0,0]=4 7821 B10R0.91 CCSCC(=O)OCCOC 62a_100000210202_200000040189 [0,1,0,0,0,0|2,0,1]=4 7822 B10R0.91 CCSCC(=O)OCCOC 62a_200000040189_100000210202 [0,1,0,0,0,0|2,0,1]=4 7823 B10R0.91 CCSCC(C)NCCCF 270004a_100015189416_200011216171 [0,1,0,0,0,0|3,0,0]=4 7824 B10R0.91 CCSCC(C)NCCCO 270004a_100000182051_200011216171 [0,1,0,0,0,0|3,0,0]=4 7825 B10R0.91 CCSCC(C)NCCOC 270004a_100000209980_200011216171 [0,1,0,0,0,0|3,0,0]=4 7826 B10R0.91 CCSCC(C)NCCSC 270004a_100020590264_200011216171 [0,1,0,0,0,0|3,0,0]=4 7827 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [0,1,0,0,0,0|3,0,0]=4 7828 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [0,1,0,0,0,0|3,0,0]=4 7829 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [0,1,0,0,0,0|3,0,0]=4 7830 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [0,1,0,0,0,0|3,0,0]=4 7831 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [0,1,0,0,0,0|3,0,0]=4 7832 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [0,1,0,0,0,0|3,0,0]=4 7833 B10R0.91 CCSCCC(=O)CSCC 1458a_100000230394_100000757381 [0,1,0,0,0,0|3,0,0]=4 7834 B10R0.91 CCSCCN(C)CCCO 2230a_100000213112_100000757381 [0,1,0,0,0,0|3,0,0]=4 7835 B10R0.91 CCSCCN(C)CCCO 269982a_100000213112_100000757381 [0,1,0,0,0,0|3,0,0]=4 7836 B10R0.91 CCSCCN(C)CCOC 2230a_100000743101_100000757381 [0,1,0,0,0,0|3,0,0]=4 7837 B10R0.91 CCSCCN(C)CCOC 269982a_100000743101_100000757381 [0,1,0,0,0,0|3,0,0]=4 7838 B10R0.91 CCSCCN(C)CCSC 2230a_100000686725_100000757381 [0,1,0,0,0,0|3,0,0]=4 7839 B10R0.91 CCSCCN(C)CCSC 269982a_100000686725_100000757381 [0,1,0,0,0,0|3,0,0]=4 7840 B10R0.91 CN(CCCF)CCCCO 2230a_100000717598_100011934791 [0,1,0,0,0,0|3,0,0]=4 7841 B10R0.91 CN(CCCF)CCCCO 269982a_100000717598_100011934791 [0,1,0,0,0,0|3,0,0]=4 7842 B10R0.91 CN(CCCO)CCCCF 2230a_100000213112_100000729493 [0,1,0,0,0,0|3,0,0]=4 7843 B10R0.91 CN(CCCO)CCCCF 269982a_100000213112_100000729493 [0,1,0,0,0,0|3,0,0]=4 7844 B10R0.91 CN(CCCO)CCCCO 2230a_100000213112_100000210776 [0,1,0,0,0,0|3,0,0]=4 7845 B10R0.91 CN(CCCO)CCCCO 2230a_100000717598_100000230001 [0,1,0,0,0,0|3,0,0]=4 7846 B10R0.91 CN(CCCO)CCCCO 269982a_100000213112_100000210776 [0,1,0,0,0,0|3,0,0]=4 7847 B10R0.91 CN(CCCO)CCCCO 269982a_100000717598_100011215043 [0,1,0,0,0,0|3,0,0]=4 7848 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [0,1,0,0,0,0|3,0,0]=4 7849 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [0,1,0,0,0,0|3,0,0]=4 7850 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [0,1,0,0,0,0|3,0,0]=4 7851 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [0,1,0,0,0,0|3,0,0]=4 7852 B10R0.91 COCCC(C)NCCCF 270004a_100015189416_100000742357 [0,1,0,0,0,0|3,0,0]=4 7853 B10R0.91 COCCC(C)NCCCO 270004a_100000182051_100000742357 [0,1,0,0,0,0|3,0,0]=4 7854 B10R0.91 COCCC(C)NCCSC 270004a_100020590264_100000742357 [0,1,0,0,0,0|3,0,0]=4 7855 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [0,1,0,0,0,0|3,0,0]=4 7856 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [0,1,0,0,0,0|3,0,0]=4 7857 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [0,1,0,0,0,0|3,0,0]=4 7858 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [0,1,0,0,0,0|3,0,0]=4 7859 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [0,1,0,0,0,0|3,0,0]=4 7860 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [0,1,0,0,0,0|3,0,0]=4 7861 B10R0.91 COCCCN(C)CCCF 2230a_100000224831_100011934791 [0,1,0,0,0,0|3,0,0]=4 7862 B10R0.91 COCCCN(C)CCCF 269982a_100000224831_100011934791 [0,1,0,0,0,0|3,0,0]=4 7863 B10R0.91 COCCCN(C)CCCO 2230a_100000213112_100000740836 [0,1,0,0,0,0|3,0,0]=4 7864 B10R0.91 COCCCN(C)CCCO 2230a_100000224831_100000230001 [0,1,0,0,0,0|3,0,0]=4 7865 B10R0.91 COCCCN(C)CCCO 269982a_100000213112_100000740836 [0,1,0,0,0,0|3,0,0]=4 7866 B10R0.91 COCCCN(C)CCCO 269982a_100000224831_100011215043 [0,1,0,0,0,0|3,0,0]=4 7867 B10R0.91 COCCCN(C)CCOC 2230a_100000224831_100011201679 [0,1,0,0,0,0|3,0,0]=4 7868 B10R0.91 COCCCN(C)CCOC 2230a_100000743101_100000740836 [0,1,0,0,0,0|3,0,0]=4 7869 B10R0.91 COCCCN(C)CCOC 269982a_100000224831_100000233755 [0,1,0,0,0,0|3,0,0]=4 7870 B10R0.91 COCCCN(C)CCOC 269982a_100000743101_100000740836 [0,1,0,0,0,0|3,0,0]=4 7871 B10R0.91 COCCCN(C)CCSC 2230a_100000224831_100000751147 [0,1,0,0,0,0|3,0,0]=4 7872 B10R0.91 COCCCN(C)CCSC 2230a_100000686725_100000740836 [0,1,0,0,0,0|3,0,0]=4 7873 B10R0.91 COCCCN(C)CCSC 269982a_100000224831_100000212216 [0,1,0,0,0,0|3,0,0]=4 7874 B10R0.91 COCCCN(C)CCSC 269982a_100000686725_100000740836 [0,1,0,0,0,0|3,0,0]=4 7875 B10R0.91 COCCN(C)CCCCF 2230a_100000743101_100000729493 [0,1,0,0,0,0|3,0,0]=4 7876 B10R0.91 COCCN(C)CCCCF 269982a_100000743101_100000729493 [0,1,0,0,0,0|3,0,0]=4 7877 B10R0.91 COCCN(C)CCCCO 2230a_100000717598_100011201679 [0,1,0,0,0,0|3,0,0]=4 7878 B10R0.91 COCCN(C)CCCCO 2230a_100000743101_100000210776 [0,1,0,0,0,0|3,0,0]=4 7879 B10R0.91 COCCN(C)CCCCO 269982a_100000717598_100000233755 [0,1,0,0,0,0|3,0,0]=4 7880 B10R0.91 COCCN(C)CCCCO 269982a_100000743101_100000210776 [0,1,0,0,0,0|3,0,0]=4 7881 B10R0.91 COCCNC(C)CCOC 270004a_100000209980_100000742357 [0,1,0,0,0,0|3,0,0]=4 7882 B10R0.91 COCCNC(C)CCSC 270004a_100000209980_100011217047 [0,1,0,0,0,0|3,0,0]=4 7883 B10R0.91 COCCOC(C)CCCCl 34a_200000718107_100011201679 [0,1,0,0,0,0|2,0,0]=3 7884 B10R0.91 COCCOC(C)CCCCl 7a_200000718107_100000233755 [0,1,0,0,0,0|2,0,0]=3 7885 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [0,1,0,0,0,0|3,0,0]=4 7886 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [0,1,0,0,0,0|3,0,0]=4 7887 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [0,1,0,0,0,0|3,0,0]=4 7888 B10R0.91 CSCCC(C)NCCCF 270004a_100015189416_100011217047 [0,1,0,0,0,0|3,0,0]=4 7889 B10R0.91 CSCCC(C)NCCCO 270004a_100000182051_100011217047 [0,1,0,0,0,0|3,0,0]=4 7890 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [0,1,0,0,0,0|3,0,0]=4 7891 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [0,1,0,0,0,0|3,0,0]=4 7892 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [0,1,0,0,0,0|3,0,0]=4 7893 B10R0.91 CSCCN(C)CCCCF 2230a_100000686725_100000729493 [0,1,0,0,0,0|3,0,0]=4 7894 B10R0.91 CSCCN(C)CCCCF 269982a_100000686725_100000729493 [0,1,0,0,0,0|3,0,0]=4 7895 B10R0.91 CSCCN(C)CCCCO 2230a_100000686725_100000210776 [0,1,0,0,0,0|3,0,0]=4 7896 B10R0.91 CSCCN(C)CCCCO 2230a_100000717598_100000751147 [0,1,0,0,0,0|3,0,0]=4 7897 B10R0.91 CSCCN(C)CCCCO 269982a_100000686725_100000210776 [0,1,0,0,0,0|3,0,0]=4 7898 B10R0.91 CSCCN(C)CCCCO 269982a_100000717598_100000212216 [0,1,0,0,0,0|3,0,0]=4 7899 B10R0.91 CSCCNC(C)CCSC 270004a_100020590264_100011217047 [0,1,0,0,0,0|3,0,0]=4 7900 B10R0.91 CSCCOC(C)CCCCl 34a_200000718107_100000212216 [0,1,0,0,0,0|2,0,0]=3 7901 B10R0.91 CSCCOC(C)CCCCl 7a_200000718107_100000212216 [0,1,0,0,0,0|2,0,0]=3 7902 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [0,1,0,0,0,0|3,0,0]=4 7903 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [0,1,0,0,0,0|3,0,0]=4 7904 B10R1.4 CC1CC=CCC1CO[13CH3] 34a_100000211322_200025704644 [0,0,0,1,0,0|2,0,1]=4 7905 B10R1.4 CC1CCCCC1NCF 34a_100000211402_100015361967 [0,0,0,1,0,0|3,0,0]=4 7906 B10R1.4 CC1CCCCC1OCF 34a_100000211207_100015361967 [0,0,0,1,0,0|3,0,0]=4 7907 B10R1.4 CC1CCCCC1OCF 7a_100000211207_100015361967 [0,0,0,1,0,0|3,0,0]=4 7908 B10R1.4 CC1CCCCN1CCF 2230a_100000211376_100011217306 [0,0,0,1,0,0|3,0,0]=4 7909 B10R1.4 CC1CCCCN1CCF 269982a_100000211376_100011217306 [0,0,0,1,0,0|3,0,0]=4 7910 B10R1.4 CC1CCCCN1CCF 34a_100000211376_100011217306 [0,0,0,1,0,0|3,0,0]=4 7911 B10R1.4 CC1CCCCN1CCO 2230a_100000211376_100000211926 [0,0,0,1,0,0|3,0,0]=4 7912 B10R1.4 CC1CCCCN1CCO 269982a_100000211376_100000211926 [0,0,0,1,0,0|3,0,0]=4 7913 B10R1.4 CC1CCCCN1CCO 34a_100000211376_100000211926 [0,0,0,1,0,0|3,0,0]=4 7914 B10R1.4 CC1CCNCC1OCF 34a_100000696640_100015361967 [0,0,0,1,0,0|3,0,0]=4 7915 B10R1.4 CCCC1CCCCN1C 2230a_100000701414_200000210301 [0,0,0,1,0,0|2,0,0]=3 7916 B10R1.4 CCCC1CCCCN1C 269982a_100000701414_200000210301 [0,0,0,1,0,0|2,0,0]=3 7917 B10R1.4 CCCC1CCCCN1C 34a_100000701414_200000210301 [0,0,0,1,0,0|2,0,0]=3 7918 B10R1.4 CCCC1CCCCN1[13CH3] 2230a_100000701414_200025704644 [0,0,0,1,0,0|2,0,0]=3 7919 B10R1.4 CCCC1CCCCN1[13CH3] 269982a_100000701414_200025704644 [0,0,0,1,0,0|2,0,0]=3 7920 B10R1.4 CCCC1CCCCN1[13CH3] 34a_100000701414_200025704644 [0,0,0,1,0,0|2,0,0]=3 7921 B10R1.4 CCCC1COCCN1C 2230a_102495339903_200000210301 [0,0,0,1,0,0|1,0,0]=2 7922 B10R1.4 CCCC1COCCN1C 269982a_102495339903_200000210301 [0,0,0,1,0,0|1,0,0]=2 7923 B10R1.4 CCCC1COCCN1C 34a_102495339903_200000210301 [0,0,0,1,0,0|1,0,0]=2 7924 B10R1.4 CCCC1COCCN1[13CH3] 2230a_102495339903_200025704644 [0,0,0,1,0,0|1,0,0]=2 7925 B10R1.4 CCCC1COCCN1[13CH3] 269982a_102495339903_200025704644 [0,0,0,1,0,0|1,0,0]=2 7926 B10R1.4 CCCC1COCCN1[13CH3] 34a_102495339903_200025704644 [0,0,0,1,0,0|1,0,0]=2 7927 B10R1.4 CCCN1CCCCC1C 2230a_100000211376_100000210303 [0,0,0,1,0,0|2,0,0]=3 7928 B10R1.4 CCCN1CCCCC1C 269982a_100000211376_100000210303 [0,0,0,1,0,0|2,0,0]=3 7929 B10R1.4 CCCN1CCCCC1C 34a_100000211376_100000210303 [0,0,0,1,0,0|2,0,0]=3 7930 B10R1.4 CCCN1CCOC[C@@H]1C 2230a_100009815349_100000210303 [0,0,0,1,0,0|3,0,0]=4 7931 B10R1.4 CCCN1CCOC[C@@H]1C 269982a_100009815349_100000210303 [0,0,0,1,0,0|3,0,0]=4 7932 B10R1.4 CCCN1CCOC[C@@H]1C 34a_100009815349_100000210303 [0,0,0,1,0,0|3,0,0]=4 7933 B10R1.4 CCNC1CCCCC1C 2230a_100000211402_100000210202 [0,0,0,1,0,0|2,0,0]=3 7934 B10R1.4 CCNC1CCCCC1C 269862a_100015525214_100000210921 [0,0,0,1,0,0|2,0,0]=3 7935 B10R1.4 CCNC1CCCCC1C 270004a_100015525214_100000210921 [0,0,0,1,0,0|2,0,0]=3 7936 B10R1.4 CCNC1CCCCC1C 34a_100000211402_100000210202 [0,0,0,1,0,0|2,0,0]=3 7937 B10R1.4 CCNC1CCNCC1C 270004a_100015525214_100000703950 [0,0,0,1,0,0|3,0,0]=4 7938 B10R1.4 CCNC1CCOCC1C 270004a_100015525214_100000755695 [0,0,0,1,0,0|3,0,0]=4 7939 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210202 [0,0,0,1,0,0|3,0,0]=4 7940 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210202 [0,0,0,1,0,0|3,0,0]=4 7941 B10R1.4 CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210202 [0,0,0,1,0,0|2,0,0]=3 7942 B10R1.4 CCOC1CCCCC1C 34a_100000211207_100000210202 [0,0,0,1,0,0|2,0,0]=3 7943 B10R1.4 CCOC1CCCCC1C 7a_100000211207_100000210202 [0,0,0,1,0,0|2,0,0]=3 7944 B10R1.4 CCOC1CCCCC1Cl 34a_100000038908_100000210202 [0,0,0,1,0,0|3,0,0]=4 7945 B10R1.4 CCOC1CCCCC1Cl 7a_100000038908_100000210202 [0,0,0,1,0,0|3,0,0]=4 7946 B10R1.4 CCOC1CCCCC1F 34a_100121572206_100015423560 [0,0,0,1,0,0|3,0,0]=4 7947 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [0,0,0,1,0,0|3,0,0]=4 7948 B10R1.4 CCOC1CCNCC1C 34a_100011998114_100000210202 [0,0,0,1,0,0|3,0,0]=4 7949 B10R1.4 CCOC1CNCCC1C 34a_100000696640_100000210202 [0,0,0,1,0,0|2,0,0]=3 7950 B10R1.4 CCOC1COCCC1=O 34a_100121572206_100012180262 [0,0,0,1,0,0|2,0,1]=4 7951 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210202 [0,0,0,1,0,0|3,0,0]=4 7952 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210202 [0,0,0,1,0,0|3,0,0]=4 7953 B10R1.4 CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210202 [0,0,0,1,0,0|3,0,0]=4 7954 B10R1.4 CCO[C@H]1COCC[C@H]1N 34a_100016994285_100000210202 [0,0,0,1,0,0|2,0,0]=3 7955 B10R1.4 CCSC1CCCCC1F 62a_100000210202_100015423560 [0,0,0,1,0,0|3,0,0]=4 7956 B10R1.4 CCSC1CCCCC1F 62a_100015423560_100000210202 [0,0,0,1,0,0|3,0,0]=4 7957 B10R1.4 CCSC1CCCCC1O 62a_100000038908_100000210202 [0,0,0,1,0,0|3,0,0]=4 7958 B10R1.4 CCSC1CCCCC1O 62a_100000210202_100000038908 [0,0,0,1,0,0|3,0,0]=4 7959 B10R1.4 CCSC1COCCC1=O 62a_100000210202_100012180262 [0,0,0,1,0,0|2,0,1]=4 7960 B10R1.4 CCSC1COCCC1=O 62a_100012180262_100000210202 [0,0,0,1,0,0|2,0,1]=4 7961 B10R1.4 CN1CCCCC1CCO 2230a_100000211664_200000210301 [0,0,0,1,0,0|3,0,0]=4 7962 B10R1.4 CN1CCCCC1CCO 269982a_100000211664_200000210301 [0,0,0,1,0,0|3,0,0]=4 7963 B10R1.4 CN1CCCCC1CCO 34a_100000211664_200000210301 [0,0,0,1,0,0|3,0,0]=4 7964 B10R1.4 CN1CCCCC1CN[13CH3] 34a_100011228421_200025704644 [0,0,0,1,0,0|3,0,0]=4 7965 B10R1.4 CN1CCCCC1CO[13CH3] 34a_100000225079_200025704644 [0,0,0,1,0,0|3,0,0]=4 7966 B10R1.4 CN1CCCCC1CS[13CH3] 62a_100015185383_200025704644 [0,0,0,1,0,0|3,0,0]=4 7967 B10R1.4 CN1CCCCC1CS[13CH3] 62a_200025704644_100015185383 [0,0,0,1,0,0|3,0,0]=4 7968 B10R1.4 CN1CCOCC1CO[13CH3] 34a_100013547906_200025704644 [0,0,0,1,0,0|2,0,0]=3 7969 B10R1.4 CNCC1CC=CCC1C 269862a_106832991636_100000117039 [0,0,0,1,0,0|2,0,1]=4 7970 B10R1.4 CNCC1CC=CCC1C 270004a_106832991635_100000117039 [0,0,0,1,0,0|2,0,1]=4 7971 B10R1.4 CNCC1CCCCC1O 34a_100011216029_200000210301 [0,0,0,1,0,0|3,0,0]=4 7972 B10R1.4 CNCC1CCCCN1C 34a_100011228421_200000210301 [0,0,0,1,0,0|3,0,0]=4 7973 B10R1.4 CNCC1CCCCN1C 34a_100102657272_100015186950 [0,0,0,1,0,0|3,0,0]=4 7974 B10R1.4 CNCC1CCCCN1C 7a_106832991635_100015185383 [0,0,0,1,0,0|3,0,0]=4 7975 B10R1.4 COCC1CC=CCC1C 34a_100000211322_200000210301 [0,0,0,1,0,0|2,0,1]=4 7976 B10R1.4 COCC1CCCCN1C 2230a_100015184032_200000210301 [0,0,0,1,0,0|3,0,0]=4 7977 B10R1.4 COCC1CCCCN1C 269982a_100015184032_200000210301 [0,0,0,1,0,0|3,0,0]=4 7978 B10R1.4 COCC1CCCCN1C 34a_100000225079_200000210301 [0,0,0,1,0,0|3,0,0]=4 7979 B10R1.4 COCC1CCCCN1C 34a_100015184032_200000210301 [0,0,0,1,0,0|3,0,0]=4 7980 B10R1.4 COCC1CCCCN1C 34a_100138415774_100015186950 [0,0,0,1,0,0|3,0,0]=4 7981 B10R1.4 COCC1CCCCN1[13CH3] 2230a_100015184032_200025704644 [0,0,0,1,0,0|3,0,0]=4 7982 B10R1.4 COCC1CCCCN1[13CH3] 269982a_100015184032_200025704644 [0,0,0,1,0,0|3,0,0]=4 7983 B10R1.4 COCC1CCCCN1[13CH3] 34a_100015184032_200025704644 [0,0,0,1,0,0|3,0,0]=4 7984 B10R1.4 COCC1COCCC1N 34a_214813039666_200000210301 [0,0,0,1,0,0|2,0,0]=3 7985 B10R1.4 COCC1COCCN1C 34a_100013547906_200000210301 [0,0,0,1,0,0|2,0,0]=3 7986 B10R1.4 COCN1CCCCC1C 2230a_100000211376_100000766300 [0,0,0,1,0,0|3,0,0]=4 7987 B10R1.4 COCN1CCCCC1C 269982a_100000211376_100000766300 [0,0,0,1,0,0|3,0,0]=4 7988 B10R1.4 COC[C@H]1COCCN1C 2230a_100016989928_200000210301 [0,0,0,1,0,0|2,0,0]=3 7989 B10R1.4 COC[C@H]1COCCN1C 269982a_100016989928_200000210301 [0,0,0,1,0,0|2,0,0]=3 7990 B10R1.4 COC[C@H]1COCCN1C 34a_100016989928_200000210301 [0,0,0,1,0,0|2,0,0]=3 7991 B10R1.4 COC[C@H]1COCCN1[13CH3] 2230a_100016989928_200025704644 [0,0,0,1,0,0|2,0,0]=3 7992 B10R1.4 COC[C@H]1COCCN1[13CH3] 269982a_100016989928_200025704644 [0,0,0,1,0,0|2,0,0]=3 7993 B10R1.4 COC[C@H]1COCCN1[13CH3] 34a_100016989928_200025704644 [0,0,0,1,0,0|2,0,0]=3 7994 B10R1.4 CSCC1CCCCN1C 62a_100015185383_200000210301 [0,0,0,1,0,0|3,0,0]=4 7995 B10R1.4 CSCC1CCCCN1C 62a_200000210301_100015185383 [0,0,0,1,0,0|3,0,0]=4 7996 B10R1.4 CSCN1CCCCC1C 2230a_100000211376_100011218213 [0,0,0,1,0,0|3,0,0]=4 7997 B10R1.4 CSCN1CCCCC1C 269982a_100000211376_100011218213 [0,0,0,1,0,0|3,0,0]=4 7998 B10R1.4 CSCN1CCCCC1C 34a_100000211376_100011218213 [0,0,0,1,0,0|3,0,0]=4 7999 B10R1.4 N[C@@H]1CCOC[C@@H]1OCF 34a_100016994285_100015361967 [0,0,0,1,0,0|3,0,0]=4 8000 B10R1.4 [13CH3]N1CCCCC1CCO 2230a_100000211664_200025704644 [0,0,0,1,0,0|3,0,0]=4 8001 B10R1.4 [13CH3]N1CCCCC1CCO 269982a_100000211664_200025704644 [0,0,0,1,0,0|3,0,0]=4 8002 B10R1.4 [13CH3]N1CCCCC1CCO 34a_100000211664_200025704644 [0,0,0,1,0,0|3,0,0]=4 8003 B10R1.4 [13CH3]NCC1CCCCC1O 34a_100011216029_200025704644 [0,0,0,1,0,0|3,0,0]=4 8004 B10R1.4 [13CH3]OCC1COCCC1N 34a_214813039666_200025704644 [0,0,0,1,0,0|2,0,0]=3 8005 B10R1.5 CCC1CCCN1CCF 2230a_100000754278_100011217306 [0,0,0,1,0,0|3,0,0]=4 8006 B10R1.5 CCC1CCCN1CCF 269982a_100000754278_100011217306 [0,0,0,1,0,0|3,0,0]=4 8007 B10R1.5 CCC1CCCN1CCF 34a_100000754278_100011217306 [0,0,0,1,0,0|3,0,0]=4 8008 B10R1.5 CCC1CCCN1CCO 2230a_100000754278_100000211926 [0,0,0,1,0,0|3,0,0]=4 8009 B10R1.5 CCC1CCCN1CCO 269982a_100000754278_100000211926 [0,0,0,1,0,0|3,0,0]=4 8010 B10R1.5 CCC1CCCN1CCO 34a_100000754278_100000211926 [0,0,0,1,0,0|3,0,0]=4 8011 B10R1.5 CCC1CCCN1COC 2230a_100000754278_100000766300 [0,0,0,1,0,0|3,0,0]=4 8012 B10R1.5 CCC1CCCN1COC 269982a_100000754278_100000766300 [0,0,0,1,0,0|3,0,0]=4 8013 B10R1.5 CCC1CCCN1CSC 2230a_100000754278_100011218213 [0,0,0,1,0,0|3,0,0]=4 8014 B10R1.5 CCC1CCCN1CSC 269982a_100000754278_100011218213 [0,0,0,1,0,0|3,0,0]=4 8015 B10R1.5 CCC1CCCN1CSC 34a_100000754278_100011218213 [0,0,0,1,0,0|3,0,0]=4 8016 B10R1.5 CCCC1CCCC1NC 269862a_106832991636_100000723119 [0,0,0,1,0,0|2,0,0]=3 8017 B10R1.5 CCCC1CCCC1NC 270004a_106832991635_100000723119 [0,0,0,1,0,0|2,0,0]=3 8018 B10R1.5 CCCN1CC=CC1CC 2230a_100000730860_100000210303 [0,0,0,1,0,0|2,0,1]=4 8019 B10R1.5 CCCN1CC=CC1CC 269982a_100000730860_100000210303 [0,0,0,1,0,0|2,0,1]=4 8020 B10R1.5 CCCN1CC=CC1CC 34a_100000730860_100000210303 [0,0,0,1,0,0|2,0,1]=4 8021 B10R1.5 CCCN1CCCC1CC 2230a_100000754278_100000210303 [0,0,0,1,0,0|2,0,0]=3 8022 B10R1.5 CCCN1CCCC1CC 269982a_100000754278_100000210303 [0,0,0,1,0,0|2,0,0]=3 8023 B10R1.5 CCCN1CCCC1CC 34a_100000754278_100000210303 [0,0,0,1,0,0|2,0,0]=3 8024 B10R1.5 CCCN1CCC[C@@H]1CO 2230a_100000745186_100000210303 [0,0,0,1,0,0|3,0,0]=4 8025 B10R1.5 CCCN1CCC[C@@H]1CO 269982a_100000745186_100000210303 [0,0,0,1,0,0|3,0,0]=4 8026 B10R1.5 CCCN1CCC[C@@H]1CO 34a_100000745186_100000210303 [0,0,0,1,0,0|3,0,0]=4 8027 B10R1.5 CCN1CCCC1CNC 2230a_100000211693_200000210301 [0,0,0,1,0,0|3,0,0]=4 8028 B10R1.5 CCN1CCCC1CN[13CH3] 2230a_100000211693_200025704644 [0,0,0,1,0,0|3,0,0]=4 8029 B10R1.5 CCN1CCC[C@@H]1COC 34a_100011739246_200000210301 [0,0,0,1,0,0|3,0,0]=4 8030 B10R1.5 CCN1CCC[C@@H]1COC 7a_100011739246_200000210301 [0,0,0,1,0,0|3,0,0]=4 8031 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 34a_100011739246_200025704644 [0,0,0,1,0,0|3,0,0]=4 8032 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 7a_100011739246_200025704644 [0,0,0,1,0,0|3,0,0]=4 8033 B10R1.5 CCN1CCC[C@H]1COC 2230a_100020646714_100000210202 [0,0,0,1,0,0|3,0,0]=4 8034 B10R1.5 CCN1CCC[C@H]1COC 269982a_100020646714_100000204670 [0,0,0,1,0,0|3,0,0]=4 8035 B10R1.5 CCN1CCC[C@H]1COC 34a_100020646714_100000210202 [0,0,0,1,0,0|3,0,0]=4 8036 B10R1.5 CCNC1CCCC1CC 269862a_100015525214_100000749056 [0,0,0,1,0,0|2,0,0]=3 8037 B10R1.5 CCNC1CCCC1CC 270004a_100015525214_100000749056 [0,0,0,1,0,0|2,0,0]=3 8038 B10R1.17 BrCCOC1CCCCC1 34a_100000211926_100000210327 [0,0,0,1,0,0|3,0,0]=4 8039 B10R1.17 C#CCOC1CCCCO1 34a_100000033831_100000184674 [0,0,0,1,0,0|1,0,2]=4 8040 B10R1.17 C=CCOC1CCCCO1 34a_100000033831_100015514636 [0,0,0,1,0,0|1,0,2]=4 8041 B10R1.17 CCCCN1CC=CCC1 2230a_100000698166_100000210211 [0,0,0,1,0,0|1,0,2]=4 8042 B10R1.17 CCCCN1CC=CCC1 269982a_100000698166_100000210211 [0,0,0,1,0,0|1,0,2]=4 8043 B10R1.17 CCCCN1CC=CCC1 34a_100000698166_100000210210 [0,0,0,1,0,0|1,0,2]=4 8044 B10R1.17 CCCCN1CCCOC1 2230a_100000131196_100000210211 [0,0,0,1,0,0|2,0,0]=3 8045 B10R1.17 CCCCN1CCCOC1 269982a_100000131196_100000210211 [0,0,0,1,0,0|2,0,0]=3 8046 B10R1.17 CCCCN1CCCOC1 34a_100000131196_100000210210 [0,0,0,1,0,0|2,0,0]=3 8047 B10R1.17 CCCCN1CCOCC1 2230a_100015191051_100000210211 [0,0,0,1,0,0|2,0,0]=3 8048 B10R1.17 CCCCN1CCOCC1 269982a_100015191051_100000210211 [0,0,0,1,0,0|2,0,0]=3 8049 B10R1.17 CCCCN1CCOCC1 34a_100015191051_100000210210 [0,0,0,1,0,0|2,0,0]=3 8050 B10R1.17 CCCCN1CCSCC1 2230a_100000737611_100000210211 [0,0,0,1,0,0|2,0,0]=3 8051 B10R1.17 CCCCN1CCSCC1 269982a_100000737611_100000210211 [0,0,0,1,0,0|2,0,0]=3 8052 B10R1.17 CCCNC1CCCCC1 2230a_100000182618_100000210303 [0,0,0,1,0,0|2,0,0]=3 8053 B10R1.17 CCCNC1CCCCC1 270004a_100020643023_100000210434 [0,0,0,1,0,0|2,0,0]=3 8054 B10R1.17 CCCNC1CCCCC1 34a_100000182618_100000210303 [0,0,0,1,0,0|2,0,0]=3 8055 B10R1.17 CCCNC1CCCOC1 2230a_100000719290_100000210303 [0,0,0,1,0,0|3,0,0]=4 8056 B10R1.17 CCCNC1CCCOC1 270004a_100020643023_100000753404 [0,0,0,1,0,0|3,0,0]=4 8057 B10R1.17 CCCNC1CCCOC1 34a_100000719290_100000210303 [0,0,0,1,0,0|3,0,0]=4 8058 B10R1.17 CCCNC1CCCSC1 270004a_100020643023_100000057913 [0,0,0,1,0,0|3,0,0]=4 8059 B10R1.17 CCCNC1CCNCC1 270004a_100020643023_100015192401 [0,0,0,1,0,0|3,0,0]=4 8060 B10R1.17 CCCNC1CCOCC1 2230a_100000741149_100000210303 [0,0,0,1,0,0|3,0,0]=4 8061 B10R1.17 CCCNC1CCOCC1 270004a_100020643023_100011217826 [0,0,0,1,0,0|3,0,0]=4 8062 B10R1.17 CCCNC1CCOCC1 34a_100000741149_100000210303 [0,0,0,1,0,0|3,0,0]=4 8063 B10R1.17 CCCNC1CCSCC1 2230a_100000748639_100000210303 [0,0,0,1,0,0|3,0,0]=4 8064 B10R1.17 CCCNC1CCSCC1 270004a_100020643023_100000203788 [0,0,0,1,0,0|3,0,0]=4 8065 B10R1.17 CCCNC1CCSCC1 34a_100000748639_100000210303 [0,0,0,1,0,0|3,0,0]=4 8066 B10R1.17 CCCOC1C=CCCC1 34a_100011215024_100000210303 [0,0,0,1,0,0|2,0,1]=4 8067 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [0,0,0,1,0,0|2,0,0]=3 8068 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [0,0,0,1,0,0|2,0,0]=3 8069 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [0,0,0,1,0,0|2,0,0]=3 8070 B10R1.17 CCCOC1CCCCO1 34a_100000033831_100000210303 [0,0,0,1,0,0|1,0,0]=2 8071 B10R1.17 CCCOC1CCCOC1 34a_100000210258_100000693364 [0,0,0,1,0,0|3,0,0]=4 8072 B10R1.17 CCCOC1CCCOC1 34a_100000754041_100000210303 [0,0,0,1,0,0|3,0,0]=4 8073 B10R1.17 CCCOC1CCCSC1 7a_100015962668_100000210303 [0,0,0,1,0,0|3,0,0]=4 8074 B10R1.17 CCCOC1CCOCC1 34a_100000744328_100000210303 [0,0,0,1,0,0|3,0,0]=4 8075 B10R1.17 CCCOC1CCSCC1 34a_100000210258_100000069128 [0,0,0,1,0,0|3,0,0]=4 8076 B10R1.17 CCCOC1CCSCC1 34a_100000731022_100000210303 [0,0,0,1,0,0|3,0,0]=4 8077 B10R1.17 CCCOC1CCSCC1 7a_100000731022_100000210303 [0,0,0,1,0,0|3,0,0]=4 8078 B10R1.17 CCCSC1C=CCCC1 62a_100000210303_100000751183 [0,0,0,1,0,0|2,0,1]=4 8079 B10R1.17 CCCSC1C=CCCC1 62a_100000751183_100000210303 [0,0,0,1,0,0|2,0,1]=4 8080 B10R1.17 CCCSC1CCCCC1 62a_100000210303_100000210327 [0,0,0,1,0,0|2,0,0]=3 8081 B10R1.17 CCCSC1CCCCC1 62a_100000210327_100000210303 [0,0,0,1,0,0|2,0,0]=3 8082 B10R1.17 CCCSC1CCCOC1 62a_100000210303_100000693364 [0,0,0,1,0,0|3,0,0]=4 8083 B10R1.17 CCCSC1CCOCC1 62a_100000210303_100011324220 [0,0,0,1,0,0|3,0,0]=4 8084 B10R1.17 CCCSC1CCSCC1 62a_100000210303_100000069128 [0,0,0,1,0,0|3,0,0]=4 8085 B10R1.17 CCNCC1CCCCC1 2230a_100000210473_100000210202 [0,0,0,1,0,0|2,0,0]=3 8086 B10R1.17 CCNCC1CCCCC1 2230a_100015525214_100000211423 [0,0,0,1,0,0|2,0,0]=3 8087 B10R1.17 CCNCC1CCCCC1 269862a_100015525214_100000211278 [0,0,0,1,0,0|2,0,0]=3 8088 B10R1.17 CCNCC1CCCCC1 34a_100000210473_100000210202 [0,0,0,1,0,0|2,0,0]=3 8089 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [0,0,0,1,0,0|1,0,0]=2 8090 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [0,0,0,1,0,0|1,0,0]=2 8091 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [0,0,0,1,0,0|1,0,0]=2 8092 B10R1.17 CCNCC1CCCOC1 2230a_100000720124_100000210202 [0,0,0,1,0,0|3,0,0]=4 8093 B10R1.17 CCNCC1CCCOC1 2230a_100015525214_100000741521 [0,0,0,1,0,0|3,0,0]=4 8094 B10R1.17 CCNCC1CCCOC1 34a_100000720124_100000210202 [0,0,0,1,0,0|3,0,0]=4 8095 B10R1.17 CCNCC1CCOCC1 2230a_100000746373_100000210202 [0,0,0,1,0,0|3,0,0]=4 8096 B10R1.17 CCNCC1CCOCC1 2230a_100015525214_100000754603 [0,0,0,1,0,0|3,0,0]=4 8097 B10R1.17 CCNCC1CCOCC1 269862a_100015525214_100000749017 [0,0,0,1,0,0|3,0,0]=4 8098 B10R1.17 CCNCC1CCOCC1 34a_100000746373_100000210202 [0,0,0,1,0,0|3,0,0]=4 8099 B10R1.17 CCNCC1CCSCC1 2230a_100015188806_100000210202 [0,0,0,1,0,0|3,0,0]=4 8100 B10R1.17 CCNCC1CCSCC1 269862a_100015525214_100000067145 [0,0,0,1,0,0|3,0,0]=4 8101 B10R1.17 CCNCC1CCSCC1 270004a_100015525214_100000067145 [0,0,0,1,0,0|3,0,0]=4 8102 B10R1.17 CCNCC1CCSCC1 34a_100015188806_100000210202 [0,0,0,1,0,0|3,0,0]=4 8103 B10R1.17 CCNC[C@H]1COCCO1 2230a_100010981119_100000210202 [0,0,0,1,0,0|2,0,0]=3 8104 B10R1.17 CCNC[C@H]1COCCO1 34a_100010981119_100000210202 [0,0,0,1,0,0|2,0,0]=3 8105 B10R1.17 CCNN=C1CCCCC1 4a_100000756455_100000210434 [0,0,0,1,0,0|3,0,0]=4 8106 B10R1.17 CCOCC1CCC=CO1 34a_100011217868_100000210202 [0,0,0,1,0,0|1,0,2]=4 8107 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [0,0,0,1,0,0|2,0,0]=3 8108 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [0,0,0,1,0,0|2,0,0]=3 8109 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [0,0,0,1,0,0|2,0,0]=3 8110 B10R1.17 CCOCC1CCCCN1 34a_100000210821_100000210202 [0,0,0,1,0,0|2,0,0]=3 8111 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [0,0,0,1,0,0|1,0,0]=2 8112 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [0,0,0,1,0,0|1,0,0]=2 8113 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [0,0,0,1,0,0|1,0,0]=2 8114 B10R1.17 CCOCC1CCCNC1 34a_100000211344_100000210202 [0,0,0,1,0,0|3,0,0]=4 8115 B10R1.17 CCOCC1CCCOC1 34a_100000741520_100000210202 [0,0,0,1,0,0|3,0,0]=4 8116 B10R1.17 CCOCC1CCCOC1 34a_100121572206_100000741521 [0,0,0,1,0,0|3,0,0]=4 8117 B10R1.17 CCOCC1CCNCC1 34a_100000738675_100000210202 [0,0,0,1,0,0|3,0,0]=4 8118 B10R1.17 CCOCC1CCOCC1 34a_100000749013_100000210202 [0,0,0,1,0,0|3,0,0]=4 8119 B10R1.17 CCOCC1CCOCC1 34a_100121572206_100000754603 [0,0,0,1,0,0|3,0,0]=4 8120 B10R1.17 CCOCC1CCSCC1 34a_100000070558_100000210202 [0,0,0,1,0,0|3,0,0]=4 8121 B10R1.17 CCOCC1CCSCC1 7a_100000070558_100000210202 [0,0,0,1,0,0|3,0,0]=4 8122 B10R1.17 CCOCN1CCCOC1 269982a_100000131196_100000739092 [0,0,0,1,0,0|3,0,0]=4 8123 B10R1.17 CCOCN1CCOCC1 269982a_100015191051_100000739092 [0,0,0,1,0,0|3,0,0]=4 8124 B10R1.17 CCOCN1CCSCC1 269982a_100000737611_100000739092 [0,0,0,1,0,0|3,0,0]=4 8125 B10R1.17 CCOC[C@@H]1CNCCO1 34a_100015189573_100000210202 [0,0,0,1,0,0|2,0,0]=3 8126 B10R1.17 CCOC[C@@H]1COCCN1 34a_100000717676_100000210202 [0,0,0,1,0,0|3,0,0]=4 8127 B10R1.17 CCOC[C@H]1COCCO1 34a_100009875890_100000210202 [0,0,0,1,0,0|2,0,0]=3 8128 B10R1.17 CCSCC1CCCCC1 62a_100000210202_100000211423 [0,0,0,1,0,0|2,0,0]=3 8129 B10R1.17 CCSCC1CCCCC1 62a_100000211423_100000210202 [0,0,0,1,0,0|2,0,0]=3 8130 B10R1.17 CCSCC1CCCCO1 62a_100000210202_100000211543 [0,0,0,1,0,0|1,0,0]=2 8131 B10R1.17 CCSCC1CCCCO1 62a_100000211543_100000210202 [0,0,0,1,0,0|1,0,0]=2 8132 B10R1.17 CCSCC1CCCOC1 62a_100000210202_100000741521 [0,0,0,1,0,0|3,0,0]=4 8133 B10R1.17 CCSCC1CCCOC1 62a_100000741521_100000210202 [0,0,0,1,0,0|3,0,0]=4 8134 B10R1.17 CCSCC1CCOCC1 62a_100000210202_100000749018 [0,0,0,1,0,0|3,0,0]=4 8135 B10R1.17 CCSCC1CCOCC1 62a_100000754603_100000210202 [0,0,0,1,0,0|3,0,0]=4 8136 B10R1.17 CNCCC1=CCCCC1 2230a_100000212019_200000210301 [0,0,0,1,0,0|2,0,1]=4 8137 B10R1.17 CNCCC1=CCCCC1 34a_100000212019_200000210301 [0,0,0,1,0,0|2,0,1]=4 8138 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [0,0,0,1,0,0|2,0,0]=3 8139 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [0,0,0,1,0,0|2,0,0]=3 8140 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [0,0,0,1,0,0|2,0,0]=3 8141 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [0,0,0,1,0,0|2,0,0]=3 8142 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [0,0,0,1,0,0|2,0,0]=3 8143 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [0,0,0,1,0,0|2,0,0]=3 8144 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [0,0,0,1,0,0|1,0,0]=2 8145 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [0,0,0,1,0,0|1,0,0]=2 8146 B10R1.17 CNCCC1CCOCC1 2230a_100000755988_200000210301 [0,0,0,1,0,0|3,0,0]=4 8147 B10R1.17 CNCCC1CCOCC1 2230a_106832991635_100011934994 [0,0,0,1,0,0|3,0,0]=4 8148 B10R1.17 CNCCC1CCOCC1 34a_100000755988_200000210301 [0,0,0,1,0,0|3,0,0]=4 8149 B10R1.17 CNCCC1CCOCC1 34a_100102657272_100011934994 [0,0,0,1,0,0|3,0,0]=4 8150 B10R1.17 CNCCC1CCOCC1 7a_106832991635_100011934994 [0,0,0,1,0,0|3,0,0]=4 8151 B10R1.17 CNCCC1OCCCO1 2230a_106832991635_100000764188 [0,0,0,1,0,0|2,0,0]=3 8152 B10R1.17 CNCCC1OCCCO1 34a_100102657272_100000764188 [0,0,0,1,0,0|2,0,0]=3 8153 B10R1.17 CNCCC1OCCCO1 7a_106832991635_100000764188 [0,0,0,1,0,0|2,0,0]=3 8154 B10R1.17 CNCCN1CCCCC1 2230a_106832991635_100000739454 [0,0,0,1,0,0|2,0,0]=3 8155 B10R1.17 CNCCN1CCCCC1 34a_100102657272_100000739454 [0,0,0,1,0,0|2,0,0]=3 8156 B10R1.17 CNCCN1CCCCC1 7a_106832991635_100000739454 [0,0,0,1,0,0|2,0,0]=3 8157 B10R1.17 CNCCN1CCOCC1 2230a_106832991635_100025781966 [0,0,0,1,0,0|3,0,0]=4 8158 B10R1.17 CNCCN1CCOCC1 7a_106832991635_100000211760 [0,0,0,1,0,0|3,0,0]=4 8159 B10R1.17 CNCCN1CCSCC1 2230a_100000755026_200000210301 [0,0,0,1,0,0|3,0,0]=4 8160 B10R1.17 CNCOC1CCCCC1 2230a_106832991635_100011935260 [0,0,0,1,0,0|3,0,0]=4 8161 B10R1.17 CNCOC1CCCCC1 34a_100102657272_100011935260 [0,0,0,1,0,0|3,0,0]=4 8162 B10R1.17 CNCOC1CCCCC1 7a_106832991635_100011935260 [0,0,0,1,0,0|3,0,0]=4 8163 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [0,0,0,1,0,0|2,0,0]=3 8164 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [0,0,0,1,0,0|2,0,0]=3 8165 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [0,0,0,1,0,0|2,0,0]=3 8166 B10R1.17 COCCC1CCCCN1 34a_100000211664_200000210301 [0,0,0,1,0,0|2,0,0]=3 8167 B10R1.17 COCCC1CCCNC1 34a_100000752241_200000210301 [0,0,0,1,0,0|3,0,0]=4 8168 B10R1.17 COCCC1CCNCC1 34a_100015190746_200000210301 [0,0,0,1,0,0|3,0,0]=4 8169 B10R1.17 COCCC1CCOCC1 34a_100011933979_200000210301 [0,0,0,1,0,0|3,0,0]=4 8170 B10R1.17 COCCC1CCOCC1 34a_100138415774_100011934994 [0,0,0,1,0,0|3,0,0]=4 8171 B10R1.17 COCCC1CCOCC1 7a_100011933979_200000210301 [0,0,0,1,0,0|3,0,0]=4 8172 B10R1.17 COCCC1OCCCO1 34a_100138415774_100000764188 [0,0,0,1,0,0|2,0,0]=3 8173 B10R1.17 COCCC1SCCCS1 34a_200011025297_200000210301 [0,0,0,1,0,0|2,1,0]=4 8174 B10R1.17 COCCC1SCCCS1 7a_200011025297_200000210301 [0,0,0,1,0,0|2,1,0]=4 8175 B10R1.17 COCCN1CCCCC1 34a_100138415774_100000739454 [0,0,0,1,0,0|2,0,0]=3 8176 B10R1.17 COCCN1CCCOC1 2230a_100000131196_100011201679 [0,0,0,1,0,0|3,0,0]=4 8177 B10R1.17 COCCN1CCCOC1 269982a_100000131196_100000233755 [0,0,0,1,0,0|3,0,0]=4 8178 B10R1.17 COCCN1CCCOC1 34a_100000131196_100011201679 [0,0,0,1,0,0|3,0,0]=4 8179 B10R1.17 COCCN1CCOCC1 2230a_100015191051_100011201679 [0,0,0,1,0,0|3,0,0]=4 8180 B10R1.17 COCCN1CCOCC1 269982a_100015191051_100000233755 [0,0,0,1,0,0|3,0,0]=4 8181 B10R1.17 COCCN1CCOCC1 34a_100015191051_100011201679 [0,0,0,1,0,0|3,0,0]=4 8182 B10R1.17 COCCN1CCSCC1 2230a_100000737611_100011201679 [0,0,0,1,0,0|3,0,0]=4 8183 B10R1.17 COCCN1CCSCC1 269982a_100000737611_100000233755 [0,0,0,1,0,0|3,0,0]=4 8184 B10R1.17 COCCN1CCSCC1 7a_100000686052_200000210301 [0,0,0,1,0,0|3,0,0]=4 8185 B10R1.17 COCC[C@@H]1CNCCN1 34a_100016989929_200000210301 [0,0,0,1,0,0|3,0,0]=4 8186 B10R1.17 COCNC1CCCCC1 2230a_100000182618_100000766300 [0,0,0,1,0,0|3,0,0]=4 8187 B10R1.17 COCOC1CCCCC1 34a_100138415774_100011935260 [0,0,0,1,0,0|3,0,0]=4 8188 B10R1.17 COCSC1CCCCC1 62a_100000210327_100000766300 [0,0,0,1,0,0|3,0,0]=4 8189 B10R1.17 COCSC1CCCCC1 62a_100000766300_100000210327 [0,0,0,1,0,0|3,0,0]=4 8190 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [0,0,0,1,0,0|2,0,0]=3 8191 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [0,0,0,1,0,0|2,0,0]=3 8192 B10R1.17 CSCCC1CCOCC1 62a_100011934994_200000210301 [0,0,0,1,0,0|3,0,0]=4 8193 B10R1.17 CSCCC1CCOCC1 62a_200000210301_100011934994 [0,0,0,1,0,0|3,0,0]=4 8194 B10R1.17 CSCCC1OCCCO1 62a_100000764188_200000210301 [0,0,0,1,0,0|2,0,0]=3 8195 B10R1.17 CSCCC1OCCCO1 62a_200000210301_100000764188 [0,0,0,1,0,0|2,0,0]=3 8196 B10R1.17 CSCCN1CCCCC1 62a_100000739454_200000210301 [0,0,0,1,0,0|2,0,0]=3 8197 B10R1.17 CSCCN1CCCCC1 62a_200000210301_100000739454 [0,0,0,1,0,0|2,0,0]=3 8198 B10R1.17 CSCCN1CCCOC1 2230a_100000131196_100000751147 [0,0,0,1,0,0|3,0,0]=4 8199 B10R1.17 CSCCN1CCCOC1 269982a_100000131196_100000212216 [0,0,0,1,0,0|3,0,0]=4 8200 B10R1.17 CSCCN1CCCOC1 34a_100000131196_100000212216 [0,0,0,1,0,0|3,0,0]=4 8201 B10R1.17 CSCCN1CCOCC1 2230a_100015191051_100000751147 [0,0,0,1,0,0|3,0,0]=4 8202 B10R1.17 CSCCN1CCOCC1 269982a_100015191051_100000212216 [0,0,0,1,0,0|3,0,0]=4 8203 B10R1.17 CSCCN1CCOCC1 34a_100015191051_100000212216 [0,0,0,1,0,0|3,0,0]=4 8204 B10R1.17 CSCCN1CCOCC1 62a_200000210301_100000211760 [0,0,0,1,0,0|3,0,0]=4 8205 B10R1.17 CSCCN1CCSCC1 2230a_100000737611_100000751147 [0,0,0,1,0,0|3,0,0]=4 8206 B10R1.17 CSCCN1CCSCC1 269982a_100000737611_100000212216 [0,0,0,1,0,0|3,0,0]=4 8207 B10R1.17 CSCNC1CCCCC1 2230a_100000182618_100011218213 [0,0,0,1,0,0|3,0,0]=4 8208 B10R1.17 CSCNC1CCCCC1 34a_100000182618_100011218213 [0,0,0,1,0,0|3,0,0]=4 8209 B10R1.17 CSCOC1CCCCC1 34a_100000210231_100011218213 [0,0,0,1,0,0|3,0,0]=4 8210 B10R1.17 CSCOC1CCCCC1 62a_100011935260_200000210301 [0,0,0,1,0,0|3,0,0]=4 8211 B10R1.17 CSCOC1CCCCC1 62a_200000210301_100011935260 [0,0,0,1,0,0|3,0,0]=4 8212 B10R1.17 CSCOC1CCCCO1 34a_100000033831_100011218213 [0,0,0,1,0,0|2,0,0]=3 8213 B10R1.17 CSCSC1CCCCC1 62a_100000210327_100011218213 [0,0,0,1,0,0|3,0,0]=4 8214 B10R1.17 CSCSC1CCCCC1 62a_100011218213_100000210327 [0,0,0,1,0,0|3,0,0]=4 8215 B10R1.17 FCCCN1CCCOC1 2230a_100000131196_100011934791 [0,0,0,1,0,0|3,0,0]=4 8216 B10R1.17 FCCCN1CCCOC1 269982a_100000131196_100011934791 [0,0,0,1,0,0|3,0,0]=4 8217 B10R1.17 FCCCN1CCCOC1 34a_100000131196_100011934791 [0,0,0,1,0,0|3,0,0]=4 8218 B10R1.17 FCCCN1CCOCC1 2230a_100015191051_100011934791 [0,0,0,1,0,0|3,0,0]=4 8219 B10R1.17 FCCCN1CCOCC1 269982a_100015191051_100011934791 [0,0,0,1,0,0|3,0,0]=4 8220 B10R1.17 FCCCN1CCOCC1 34a_100015191051_100011934791 [0,0,0,1,0,0|3,0,0]=4 8221 B10R1.17 FCCCN1CCSCC1 2230a_100000737611_100011934791 [0,0,0,1,0,0|3,0,0]=4 8222 B10R1.17 FCCCN1CCSCC1 269982a_100000737611_100011934791 [0,0,0,1,0,0|3,0,0]=4 8223 B10R1.17 FCCNC1CCCCC1 2230a_100000182618_100011217306 [0,0,0,1,0,0|3,0,0]=4 8224 B10R1.17 FCCNC1CCCCC1 34a_100000182618_100011217306 [0,0,0,1,0,0|3,0,0]=4 8225 B10R1.17 FCCNC1CCCCC1 34a_100000724931_100000210327 [0,0,0,1,0,0|3,0,0]=4 8226 B10R1.17 FCCOC1CCCCC1 34a_100000210231_100011217306 [0,0,0,1,0,0|3,0,0]=4 8227 B10R1.17 FCCOC1CCCCC1 7a_100000210231_100011217306 [0,0,0,1,0,0|3,0,0]=4 8228 B10R1.17 FCCOC1CCCCO1 34a_100000033831_100011217306 [0,0,0,1,0,0|2,0,0]=3 8229 B10R1.17 FCCSC1CCCCC1 62a_100000210327_100011217306 [0,0,0,1,0,0|3,0,0]=4 8230 B10R1.17 FCCSC1CCCCC1 62a_100011217306_100000210327 [0,0,0,1,0,0|3,0,0]=4 8231 B10R1.17 FCNCC1CCCCC1 34a_100000210473_100015361967 [0,0,0,1,0,0|3,0,0]=4 8232 B10R1.17 FCNCC1CCCCO1 34a_100000174945_100015361967 [0,0,0,1,0,0|2,0,0]=3 8233 B10R1.17 FCNC[C@H]1COCCO1 34a_100010981119_100015361967 [0,0,0,1,0,0|3,0,0]=4 8234 B10R1.17 FCOCC1CCCCC1 34a_100000212181_100015361967 [0,0,0,1,0,0|3,0,0]=4 8235 B10R1.17 FCOCC1CCCCC1 7a_100000212181_100015361967 [0,0,0,1,0,0|3,0,0]=4 8236 B10R1.17 FCOCC1CCCCN1 34a_100000210821_100015361967 [0,0,0,1,0,0|3,0,0]=4 8237 B10R1.17 FCOCC1CCCCO1 34a_100000211370_100015361967 [0,0,0,1,0,0|2,0,0]=3 8238 B10R1.17 FCOCC1CCCCO1 7a_100000211370_100015361967 [0,0,0,1,0,0|2,0,0]=3 8239 B10R1.17 FCOC[C@@H]1CNCCO1 34a_100015189573_100015361967 [0,0,0,1,0,0|3,0,0]=4 8240 B10R1.17 FCOC[C@H]1COCCO1 34a_100009875890_100015361967 [0,0,0,1,0,0|3,0,0]=4 8241 B10R1.17 FCSCC1CCCCC1 62a_100000211423_100015361967 [0,0,0,1,0,0|3,0,0]=4 8242 B10R1.17 FCSCC1CCCCC1 62a_100015361967_100000211423 [0,0,0,1,0,0|3,0,0]=4 8243 B10R1.17 FCSCC1CCCCO1 62a_100000211543_100015361967 [0,0,0,1,0,0|2,0,0]=3 8244 B10R1.17 FCSCC1CCCCO1 62a_100015361967_100000211543 [0,0,0,1,0,0|2,0,0]=3 8245 B10R1.17 NCCOC1CCCCC1 34a_100000210304_100000210327 [0,0,0,1,0,0|3,0,0]=4 8246 B10R1.17 O=CCOC1CCCCO1 34a_100000033831_200009817547 [0,0,0,1,0,0|2,0,1]=4 8247 B10R1.17 OCCCN1CCCOC1 2230a_100000131196_100000230001 [0,0,0,1,0,0|3,0,0]=4 8248 B10R1.17 OCCCN1CCCOC1 269982a_100000131196_100011215043 [0,0,0,1,0,0|3,0,0]=4 8249 B10R1.17 OCCCN1CCCOC1 34a_100000131196_100000230001 [0,0,0,1,0,0|3,0,0]=4 8250 B10R1.17 OCCCN1CCOCC1 2230a_100015191051_100000230001 [0,0,0,1,0,0|3,0,0]=4 8251 B10R1.17 OCCCN1CCOCC1 269982a_100015191051_100011215043 [0,0,0,1,0,0|3,0,0]=4 8252 B10R1.17 OCCCN1CCOCC1 34a_100015191051_100000230001 [0,0,0,1,0,0|3,0,0]=4 8253 B10R1.17 OCCCN1CCSCC1 2230a_100000737611_100000230001 [0,0,0,1,0,0|3,0,0]=4 8254 B10R1.17 OCCCN1CCSCC1 269982a_100000737611_100011215043 [0,0,0,1,0,0|3,0,0]=4 8255 B10R1.17 OCCNC1CCCCC1 2230a_100000182618_100000211926 [0,0,0,1,0,0|3,0,0]=4 8256 B10R1.17 OCCNC1CCCCC1 270004a_100000210304_100000210434 [0,0,0,1,0,0|3,0,0]=4 8257 B10R1.17 OCCNC1CCCCC1 34a_100000182618_100000211926 [0,0,0,1,0,0|3,0,0]=4 8258 B10R1.17 OCCNC1CCCCC1 34a_100016990907_100000210327 [0,0,0,1,0,0|3,0,0]=4 8259 B10R1.17 OCCOC1CCCCC1 34a_100000210231_100000211926 [0,0,0,1,0,0|3,0,0]=4 8260 B10R1.17 OCCOC1CCCCC1 7a_100000210231_100000211926 [0,0,0,1,0,0|3,0,0]=4 8261 B10R1.17 OCCOC1CCCCO1 34a_100000033831_100000211926 [0,0,0,1,0,0|2,0,0]=3 8262 B10R1.17 OCCSC1CCCCC1 62a_100000210327_100000211926 [0,0,0,1,0,0|3,0,0]=4 8263 B10R1.17 OCCSC1CCCCC1 62a_100000211926_100000210327 [0,0,0,1,0,0|3,0,0]=4 8264 B10R1.17 [13CH3]NCCC1=CCCCC1 2230a_100000212019_200025704644 [0,0,0,1,0,0|2,0,1]=4 8265 B10R1.17 [13CH3]NCCC1=CCCCC1 34a_100000212019_200025704644 [0,0,0,1,0,0|2,0,1]=4 8266 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [0,0,0,1,0,0|2,0,0]=3 8267 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [0,0,0,1,0,0|2,0,0]=3 8268 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [0,0,0,1,0,0|1,0,0]=2 8269 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [0,0,0,1,0,0|1,0,0]=2 8270 B10R1.17 [13CH3]NCCC1CCOCC1 2230a_100000755988_200025704644 [0,0,0,1,0,0|3,0,0]=4 8271 B10R1.17 [13CH3]NCCC1CCOCC1 34a_100000755988_200025704644 [0,0,0,1,0,0|3,0,0]=4 8272 B10R1.17 [13CH3]NCCN1CCSCC1 2230a_100000755026_200025704644 [0,0,0,1,0,0|3,0,0]=4 8273 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [0,0,0,1,0,0|2,0,0]=3 8274 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [0,0,0,1,0,0|2,0,0]=3 8275 B10R1.17 [13CH3]OCCC1CCCCN1 34a_100000211664_200025704644 [0,0,0,1,0,0|2,0,0]=3 8276 B10R1.17 [13CH3]OCCC1CCCNC1 34a_100000752241_200025704644 [0,0,0,1,0,0|3,0,0]=4 8277 B10R1.17 [13CH3]OCCC1CCNCC1 34a_100015190746_200025704644 [0,0,0,1,0,0|3,0,0]=4 8278 B10R1.17 [13CH3]OCCC1CCOCC1 34a_100011933979_200025704644 [0,0,0,1,0,0|3,0,0]=4 8279 B10R1.17 [13CH3]OCCC1CCOCC1 7a_100011933979_200025704644 [0,0,0,1,0,0|3,0,0]=4 8280 B10R1.17 [13CH3]OCCC1SCCCS1 34a_200011025297_200025704644 [0,0,0,1,0,0|2,1,0]=4 8281 B10R1.17 [13CH3]OCCC1SCCCS1 7a_200011025297_200025704644 [0,0,0,1,0,0|2,1,0]=4 8282 B10R1.17 [13CH3]OCCN1CCSCC1 7a_100000686052_200025704644 [0,0,0,1,0,0|3,0,0]=4 8283 B10R1.17 [13CH3]OCC[C@@H]1CNCCN1 34a_100016989929_200025704644 [0,0,0,1,0,0|3,0,0]=4 8284 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [0,0,0,1,0,0|2,0,0]=3 8285 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [0,0,0,1,0,0|2,0,0]=3 8286 B10R1.17 [13CH3]SCCC1CCOCC1 62a_100011934994_200025704644 [0,0,0,1,0,0|3,0,0]=4 8287 B10R1.17 [13CH3]SCCC1CCOCC1 62a_200025704644_100011934994 [0,0,0,1,0,0|3,0,0]=4 8288 B10R1.17 [13CH3]SCCC1OCCCO1 62a_100000764188_200025704644 [0,0,0,1,0,0|2,0,0]=3 8289 B10R1.17 [13CH3]SCCC1OCCCO1 62a_200025704644_100000764188 [0,0,0,1,0,0|2,0,0]=3 8290 B10R1.17 [13CH3]SCCN1CCCCC1 62a_100000739454_200025704644 [0,0,0,1,0,0|2,0,0]=3 8291 B10R1.17 [13CH3]SCCN1CCCCC1 62a_200025704644_100000739454 [0,0,0,1,0,0|2,0,0]=3 8292 B10R1.17 [13CH3]SCCN1CCOCC1 62a_200025704644_100000211760 [0,0,0,1,0,0|3,0,0]=4 8293 B10R1.17 [13CH3]SCOC1CCCCC1 62a_100011935260_200025704644 [0,0,0,1,0,0|3,0,0]=4 8294 B10R1.17 [13CH3]SCOC1CCCCC1 62a_200025704644_100011935260 [0,0,0,1,0,0|3,0,0]=4 8295 B10R1.20 CCC1CCCCC1NC 269862a_106832991636_100000757040 [0,0,0,1,0,0|2,0,0]=3 8296 B10R1.20 CCC1CCCCC1NC 270004a_106832991635_100000757040 [0,0,0,1,0,0|2,0,0]=3 8297 B10R1.20 CCC1CCCCC1OC 34a_100000210738_200000210301 [0,0,0,1,0,0|2,0,0]=3 8298 B10R1.20 CCC1CCCCC1OC 7a_100000210738_200000210301 [0,0,0,1,0,0|2,0,0]=3 8299 B10R1.20 CCC1CCCCC1O[13CH3] 34a_100000210738_200025704644 [0,0,0,1,0,0|2,0,0]=3 8300 B10R1.20 CCC1CCCCC1O[13CH3] 7a_100000210738_200025704644 [0,0,0,1,0,0|2,0,0]=3 8301 B10R1.20 CCC1CCCCN1CC 2230a_100000210034_100000210202 [0,0,0,1,0,0|2,0,0]=3 8302 B10R1.20 CCC1CCCCN1CC 269982a_100000210034_100000204670 [0,0,0,1,0,0|2,0,0]=3 8303 B10R1.20 CCC1CCCCN1CC 34a_100000210034_100000210202 [0,0,0,1,0,0|2,0,0]=3 8304 B10R1.20 CCC1CCCCN1CF 269982a_100000210034_100015361967 [0,0,0,1,0,0|3,0,0]=4 8305 B10R1.20 CCC1CCCCN1CF 34a_100000210034_100015361967 [0,0,0,1,0,0|3,0,0]=4 8306 B10R1.20 CCN1CCCCC1CO 2230a_100000210821_100000210202 [0,0,0,1,0,0|3,0,0]=4 8307 B10R1.20 CCN1CCCCC1CO 269982a_100000210821_100000204670 [0,0,0,1,0,0|3,0,0]=4 8308 B10R1.20 CCN1CCCCC1CO 34a_100000210821_100000210202 [0,0,0,1,0,0|3,0,0]=4 8309 B10R1.20 CCN1CCOC[C@H]1CO 2230a_100000717676_100000210202 [0,0,0,1,0,0|2,0,0]=3 8310 B10R1.20 CCN1CCOC[C@H]1CO 269982a_100000717676_100000204670 [0,0,0,1,0,0|2,0,0]=3 8311 B10R1.20 CCN1CCOC[C@H]1CO 34a_100000717676_100000210202 [0,0,0,1,0,0|2,0,0]=3 8312 B10R1.20 CC[C@H]1COCCN1CC 2230a_100016988097_100000210202 [0,0,0,1,0,0|1,0,0]=2 8313 B10R1.20 CC[C@H]1COCCN1CC 269982a_100016988097_100000204670 [0,0,0,1,0,0|1,0,0]=2 8314 B10R1.20 CC[C@H]1COCCN1CC 34a_100016988097_100000210202 [0,0,0,1,0,0|1,0,0]=2 8315 B10R1.20 CC[C@H]1COCCN1CF 269982a_100016988097_100015361967 [0,0,0,1,0,0|2,0,0]=3 8316 B10R1.20 CC[C@H]1COCCN1CF 34a_100016988097_100015361967 [0,0,0,1,0,0|2,0,0]=3 8317 B10R1.20 CNC1CCCCC1CO 270004a_106832991635_100009861125 [0,0,0,1,0,0|3,0,0]=4 8318 B10R1.20 CNC1CCCCC1OC 270004a_106832991635_100000740605 [0,0,0,1,0,0|3,0,0]=4 8319 B10R1.20 CNC1CCCCC1OC 34a_100011208099_200000210301 [0,0,0,1,0,0|3,0,0]=4 8320 B10R1.20 CNC1CCOCC1CO 2230a_214813039666_200000210301 [0,0,0,1,0,0|2,0,0]=3 8321 B10R1.20 CNC1CCOCC1CO 34a_214813039666_200000210301 [0,0,0,1,0,0|2,0,0]=3 8322 B10R1.20 CNC1CCOCC1OC 270004a_106832991635_100000095984 [0,0,0,1,0,0|2,0,0]=3 8323 B10R1.20 CN[C@@H]1CCCC[C@H]1OC 34a_100000708425_200000210301 [0,0,0,1,0,0|3,0,0]=4 8324 B10R1.20 CN[C@@H]1CCCC[C@H]1O[13CH3] 34a_100000708425_200025704644 [0,0,0,1,0,0|3,0,0]=4 8325 B10R1.20 COC1CCCCC1CN 34a_100011216029_200000210301 [0,0,0,1,0,0|3,0,0]=4 8326 B10R1.20 COC1CCCCC1N[13CH3] 34a_100011208099_200025704644 [0,0,0,1,0,0|3,0,0]=4 8327 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_200000210301 [0,0,0,1,0,0|3,0,0]=4 8328 B10R1.20 CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_200000210301 [0,0,0,1,0,0|3,0,0]=4 8329 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 34a_200009815850_200025704644 [0,0,0,1,0,0|3,0,0]=4 8330 B10R1.20 CO[C@H]1CCCC[C@@H]1O[13CH3] 7a_200009815850_200025704644 [0,0,0,1,0,0|3,0,0]=4 8331 B10R1.20 OC[C@@H]1COCCN1CF 269982a_100000717676_100015361967 [0,0,0,1,0,0|3,0,0]=4 8332 B10R1.20 OC[C@@H]1COCCN1CF 34a_100000717676_100015361967 [0,0,0,1,0,0|3,0,0]=4 8333 B10R1.20 [13CH3]NC1CCOCC1CO 2230a_214813039666_200025704644 [0,0,0,1,0,0|2,0,0]=3 8334 B10R1.20 [13CH3]NC1CCOCC1CO 34a_214813039666_200025704644 [0,0,0,1,0,0|2,0,0]=3 8335 B10R1.20 [13CH3]OC1CCCCC1CN 34a_100011216029_200025704644 [0,0,0,1,0,0|3,0,0]=4 8336 B10R1.21 BrCCCOC1CCCC1 34a_100011217188_100000179811 [0,0,0,1,0,0|1,0,0]=2 8337 B10R1.21 BrCCCOC1CCOC1 34a_100011217188_100000690089 [0,0,0,1,0,0|2,0,0]=3 8338 B10R1.21 BrCCOCC1CCCC1 34a_100000211926_100000740388 [0,0,0,1,0,0|3,0,0]=4 8339 B10R1.21 C#CCCCN1CCCC1 2230a_100000188435_100000731252 [0,0,0,1,0,0|1,0,2]=4 8340 B10R1.21 C#CCCCN1CCCC1 269982a_100000188435_100011215417 [0,0,0,1,0,0|1,0,2]=4 8341 B10R1.21 C#CCCNC1CCCC1 2230a_100000211070_100000688953 [0,0,0,1,0,0|1,0,2]=4 8342 B10R1.21 C#CCCNC1CCCC1 34a_100000211070_100000688953 [0,0,0,1,0,0|1,0,2]=4 8343 B10R1.21 C#CCCNC1CCCC1 34a_100000755551_100000179811 [0,0,0,1,0,0|1,0,2]=4 8344 B10R1.21 C#CCCOC1CCCC1 34a_100000210269_100000688953 [0,0,0,1,0,0|0,0,2]=3 8345 B10R1.21 C#CCCOC1CCCC1 34a_100011215631_100000179811 [0,0,0,1,0,0|0,0,2]=3 8346 B10R1.21 C#CCCOC1CCCC1 7a_100000210269_100000688953 [0,0,0,1,0,0|0,0,2]=3 8347 B10R1.21 C#CCCOC1CCCO1 34a_100000085407_100000688953 [0,0,0,1,0,0|1,0,2]=4 8348 B10R1.21 C#CCCOC1CCOC1 34a_100011215631_100000690089 [0,0,0,1,0,0|1,0,2]=4 8349 B10R1.21 C#CCCOC1CCSC1 7a_100011232664_100000688953 [0,0,0,1,0,0|1,0,2]=4 8350 B10R1.21 C#CCCO[C@H]1CCOC1 34a_100000717292_100000688953 [0,0,0,1,0,0|1,0,2]=4 8351 B10R1.21 C#CCCSC1CCCC1 62a_100000688953_100000179811 [0,0,0,1,0,0|0,1,2]=4 8352 B10R1.21 C#CCCSC1CCCC1 62a_100011217020_100000688953 [0,0,0,1,0,0|0,1,2]=4 8353 B10R1.21 C/C=C/CNC1CCCC1 34a_100000211070_100102629194 [0,0,0,1,0,0|1,0,2]=4 8354 B10R1.21 C/C=C/COC1CCCC1 34a_100000210269_100102629194 [0,0,0,1,0,0|0,0,2]=3 8355 B10R1.21 C/C=C/COC1CCCC1 34a_100016270725_100000179811 [0,0,0,1,0,0|0,0,2]=3 8356 B10R1.21 C/C=C/COC1CCCC1 7a_100000210269_100102629194 [0,0,0,1,0,0|0,0,2]=3 8357 B10R1.21 C/C=C/COC1CCCO1 34a_100000085407_100102629194 [0,0,0,1,0,0|1,0,2]=4 8358 B10R1.21 C/C=C/COC1CCOC1 34a_100016270725_100000690089 [0,0,0,1,0,0|1,0,2]=4 8359 B10R1.21 C/C=C/COC1CCSC1 7a_100011232664_100102629194 [0,0,0,1,0,0|1,0,2]=4 8360 B10R1.21 C/C=C/CO[C@H]1CCOC1 34a_100000717292_100102629194 [0,0,0,1,0,0|1,0,2]=4 8361 B10R1.21 C/C=C/CSC1CCCC1 62a_100011217020_100102629194 [0,0,0,1,0,0|0,1,2]=4 8362 B10R1.21 C/C=C/CSC1CCCC1 62a_100102629194_100000179811 [0,0,0,1,0,0|0,1,2]=4 8363 B10R1.21 C=CCCCN1CCCC1 2230a_100000188435_100011713584 [0,0,0,1,0,0|1,0,2]=4 8364 B10R1.21 C=CCCCN1CCCC1 269982a_100000188435_100000757094 [0,0,0,1,0,0|1,0,2]=4 8365 B10R1.21 C=CCCNC1CCCC1 2230a_100000211070_100000754431 [0,0,0,1,0,0|1,0,2]=4 8366 B10R1.21 C=CCCNC1CCCC1 2230a_100015191253_100000179811 [0,0,0,1,0,0|1,0,2]=4 8367 B10R1.21 C=CCCNC1CCCC1 270004a_100015191253_100000210133 [0,0,0,1,0,0|1,0,2]=4 8368 B10R1.21 C=CCCNC1CCCC1 34a_100000211070_100000754431 [0,0,0,1,0,0|1,0,2]=4 8369 B10R1.21 C=CCCOC1CCCC1 34a_100000210269_100000754431 [0,0,0,1,0,0|0,0,2]=3 8370 B10R1.21 C=CCCOC1CCCC1 34a_100011205117_100000179811 [0,0,0,1,0,0|0,0,2]=3 8371 B10R1.21 C=CCCOC1CCCC1 7a_100000210269_100000754431 [0,0,0,1,0,0|0,0,2]=3 8372 B10R1.21 C=CCCOC1CCCO1 34a_100000085407_100000754431 [0,0,0,1,0,0|1,0,2]=4 8373 B10R1.21 C=CCCOC1CCOC1 34a_100011205117_100000690089 [0,0,0,1,0,0|1,0,2]=4 8374 B10R1.21 C=CCCOC1CCSC1 7a_100011232664_100000754431 [0,0,0,1,0,0|1,0,2]=4 8375 B10R1.21 C=CCCO[C@H]1CCOC1 34a_100000717292_100000754431 [0,0,0,1,0,0|1,0,2]=4 8376 B10R1.21 C=CCCSC1CCCC1 62a_100000754431_100000179811 [0,0,0,1,0,0|0,1,2]=4 8377 B10R1.21 C=CCCSC1CCCC1 62a_100011217020_100000754431 [0,0,0,1,0,0|0,1,2]=4 8378 B10R1.21 CC#CCNC1CCCC1 2230a_100000211070_100000748600 [0,0,0,1,0,0|1,0,2]=4 8379 B10R1.21 CC#CCNC1CCCC1 2230a_100000685387_100000179811 [0,0,0,1,0,0|1,0,2]=4 8380 B10R1.21 CC#CCNC1CCCC1 34a_100000211070_100000748600 [0,0,0,1,0,0|1,0,2]=4 8381 B10R1.21 CC#CCNC1CCCC1 34a_100000685387_100000179811 [0,0,0,1,0,0|1,0,2]=4 8382 B10R1.21 CC#CCOC1CCCC1 34a_100000210269_100000748600 [0,0,0,1,0,0|0,0,2]=3 8383 B10R1.21 CC#CCOC1CCCC1 34a_100000761923_100000179811 [0,0,0,1,0,0|0,0,2]=3 8384 B10R1.21 CC#CCOC1CCCC1 7a_100000210269_100000748600 [0,0,0,1,0,0|0,0,2]=3 8385 B10R1.21 CC#CCOC1CCCO1 34a_100000085407_100000748600 [0,0,0,1,0,0|1,0,2]=4 8386 B10R1.21 CC#CCOC1CCOC1 34a_100000761923_100000690089 [0,0,0,1,0,0|1,0,2]=4 8387 B10R1.21 CC#CCOC1CCSC1 7a_100011232664_100000748600 [0,0,0,1,0,0|1,0,2]=4 8388 B10R1.21 CC#CCO[C@H]1CCOC1 34a_100000717292_100000748600 [0,0,0,1,0,0|1,0,2]=4 8389 B10R1.21 CC#CCSC1CCCC1 62a_100000748600_100000179811 [0,0,0,1,0,0|0,1,2]=4 8390 B10R1.21 CC#CCSC1CCCC1 62a_100011217020_100000748600 [0,0,0,1,0,0|0,1,2]=4 8391 B10R1.21 CC/C=C\CN1CCCC1 2230a_100000188435_100103147603 [0,0,0,1,0,0|1,0,2]=4 8392 B10R1.21 CC/C=C\CN1CCCC1 269982a_100000188435_100103147603 [0,0,0,1,0,0|1,0,2]=4 8393 B10R1.21 CC=CCNC1CCCC1 2230a_100000211070_100000070051 [0,0,0,1,0,0|1,0,2]=4 8394 B10R1.21 CC=CCNC1CCCC1 34a_100000211070_100000070051 [0,0,0,1,0,0|1,0,2]=4 8395 B10R1.21 CC=CCOC1CCCC1 34a_100000210269_100000070051 [0,0,0,1,0,0|0,0,2]=3 8396 B10R1.21 CC=CCOC1CCCC1 7a_100000210269_100000070051 [0,0,0,1,0,0|0,0,2]=3 8397 B10R1.21 CC=CCOC1CCCO1 34a_100000085407_100000070051 [0,0,0,1,0,0|1,0,2]=4 8398 B10R1.21 CC=CCOC1CCSC1 7a_100011232664_100000070051 [0,0,0,1,0,0|1,0,2]=4 8399 B10R1.21 CC=CCO[C@H]1CCOC1 34a_100000717292_100000070051 [0,0,0,1,0,0|1,0,2]=4 8400 B10R1.21 CC=CCSC1CCCC1 62a_100000070051_100000179811 [0,0,0,1,0,0|0,1,2]=4 8401 B10R1.21 CC=CCSC1CCCC1 62a_100011217020_100000070051 [0,0,0,1,0,0|0,1,2]=4 8402 B10R1.21 CCC#CCN1CCCC1 2230a_100000188435_100009813939 [0,0,0,1,0,0|1,0,2]=4 8403 B10R1.21 CCC=NNC1CCCC1 4a_100000737850_100000210100 [0,0,0,1,0,0|2,0,1]=4 8404 B10R1.21 CCCCCN1CC=CC1 269982a_100015195280_100000210215 [0,0,0,1,0,0|1,0,2]=4 8405 B10R1.21 CCCCCN1CCCC1 2230a_100000188435_100000210326 [0,0,0,1,0,0|1,0,0]=2 8406 B10R1.21 CCCCCN1CCCC1 269982a_100000188435_100000210215 [0,0,0,1,0,0|1,0,0]=2 8407 B10R1.21 CCCCCN1CCSC1 2230a_100011215254_100000210326 [0,0,0,1,0,0|2,0,0]=3 8408 B10R1.21 CCCCCN1CCSC1 269982a_100011215254_100000210215 [0,0,0,1,0,0|2,0,0]=3 8409 B10R1.21 CCCCNC1CC=CC1 2230a_100015188752_100000210211 [0,0,0,1,0,0|1,0,2]=4 8410 B10R1.21 CCCCNC1CCCC1 2230a_100000102301_100000179811 [0,0,0,1,0,0|1,0,0]=2 8411 B10R1.21 CCCCNC1CCCC1 2230a_100000211070_100000210211 [0,0,0,1,0,0|1,0,0]=2 8412 B10R1.21 CCCCNC1CCCC1 270004a_100000102301_100000210133 [0,0,0,1,0,0|1,0,0]=2 8413 B10R1.21 CCCCNC1CCCC1 34a_100000211070_100000210210 [0,0,0,1,0,0|1,0,0]=2 8414 B10R1.21 CCCCNC1CCCC1 7a_106832991798_100000179811 [0,0,0,1,0,0|1,0,0]=2 8415 B10R1.21 CCCCNC1CCOC1 2230a_100000102301_100000731011 [0,0,0,1,0,0|2,0,0]=3 8416 B10R1.21 CCCCNC1CCOC1 270004a_100000102301_100000752484 [0,0,0,1,0,0|2,0,0]=3 8417 B10R1.21 CCCCNC1CCOC1 7a_106832991798_100000731011 [0,0,0,1,0,0|2,0,0]=3 8418 B10R1.21 CCCCNC1CCSC1 270004a_100000102301_100000212027 [0,0,0,1,0,0|2,0,0]=3 8419 B10R1.21 CCCCN[C@@H]1CCOC1 2230a_200015188469_100000210211 [0,0,0,1,0,0|2,0,0]=3 8420 B10R1.21 CCCCN[C@H]1CCOC1 2230a_100015188467_100000210211 [0,0,0,1,0,0|2,0,0]=3 8421 B10R1.21 CCCCN[C@H]1CCOC1 34a_100015188467_100000210210 [0,0,0,1,0,0|2,0,0]=3 8422 B10R1.21 CCCCOC1CCCC1 34a_100000210227_100000179811 [0,0,0,1,0,0|0,0,0]=1 8423 B10R1.21 CCCCOC1CCCC1 34a_100000210269_100000210210 [0,0,0,1,0,0|0,0,0]=1 8424 B10R1.21 CCCCOC1CCCC1 7a_100000210227_100000179811 [0,0,0,1,0,0|0,0,0]=1 8425 B10R1.21 CCCCOC1CCCC1 7a_100000210269_100000210211 [0,0,0,1,0,0|0,0,0]=1 8426 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [0,0,0,1,0,0|1,0,0]=2 8427 B10R1.21 CCCCOC1CCOC1 34a_100000210227_100000690089 [0,0,0,1,0,0|1,0,0]=2 8428 B10R1.21 CCCCOC1CCOC1 7a_100000210227_100000731011 [0,0,0,1,0,0|1,0,0]=2 8429 B10R1.21 CCCCOC1CCSC1 7a_100011232664_100000210211 [0,0,0,1,0,0|1,0,0]=2 8430 B10R1.21 CCCCO[C@H]1CCOC1 34a_100000717292_100000210210 [0,0,0,1,0,0|1,0,0]=2 8431 B10R1.21 CCCCSC1CCCC1 62a_100000210211_100000179811 [0,0,0,1,0,0|0,1,0]=2 8432 B10R1.21 CCCCSC1CCCC1 62a_100011217020_100000210210 [0,0,0,1,0,0|0,1,0]=2 8433 B10R1.21 CCCCSC1CCOC1 62a_100000210211_100000690089 [0,0,0,1,0,0|1,1,0]=3 8434 B10R1.21 CCCNCC1CCCC1 2230a_100000737975_100000210303 [0,0,0,1,0,0|2,0,0]=3 8435 B10R1.21 CCCNCC1CCCC1 269862a_100020643023_100000746403 [0,0,0,1,0,0|2,0,0]=3 8436 B10R1.21 CCCNCC1CCCC1 34a_100000737975_100000210303 [0,0,0,1,0,0|2,0,0]=3 8437 B10R1.21 CCCNCC1CCOC1 2230a_100000737293_100000210303 [0,0,0,1,0,0|3,0,0]=4 8438 B10R1.21 CCCNCC1CCOC1 34a_100000737293_100000210303 [0,0,0,1,0,0|3,0,0]=4 8439 B10R1.21 CCCNC[C@@H]1CCCO1 2230a_100020590478_100000210303 [0,0,0,1,0,0|3,0,0]=4 8440 B10R1.21 CCCNC[C@@H]1CCCO1 34a_100020590478_100000210303 [0,0,0,1,0,0|3,0,0]=4 8441 B10R1.21 CCCNN=C1CCCC1 4a_100000740057_100000210133 [0,0,0,1,0,0|2,0,1]=4 8442 B10R1.21 CCCOCC1CCCC1 34a_100000210258_100000740388 [0,0,0,1,0,0|2,0,0]=3 8443 B10R1.21 CCCOCC1CCCC1 34a_100000742336_100000210303 [0,0,0,1,0,0|2,0,0]=3 8444 B10R1.21 CCCOCC1CCCC1 7a_100000742336_100000210303 [0,0,0,1,0,0|2,0,0]=3 8445 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [0,0,0,1,0,0|3,0,0]=4 8446 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [0,0,0,1,0,0|3,0,0]=4 8447 B10R1.21 CCCOCC1CCNC1 34a_100000748654_100000210303 [0,0,0,1,0,0|3,0,0]=4 8448 B10R1.21 CCCOCC1CCOC1 34a_100000210258_100011261433 [0,0,0,1,0,0|3,0,0]=4 8449 B10R1.21 CCCOCC1CCOC1 34a_100000740260_100000210303 [0,0,0,1,0,0|3,0,0]=4 8450 B10R1.21 CCCOC[C@H]1CCCN1 34a_100000745186_100000210303 [0,0,0,1,0,0|3,0,0]=4 8451 B10R1.21 CCCSCC1CCCC1 62a_100000210303_100000740388 [0,0,0,1,0,0|2,0,0]=3 8452 B10R1.21 CCCSCC1CCCC1 62a_100000740388_100000210303 [0,0,0,1,0,0|2,0,0]=3 8453 B10R1.21 CCCSCC1CCCO1 62a_100000203698_100000210303 [0,0,0,1,0,0|3,0,0]=4 8454 B10R1.21 CCCSCC1CCCO1 62a_100000210303_100000203698 [0,0,0,1,0,0|3,0,0]=4 8455 B10R1.21 CCCSCC1CCOC1 62a_100000210303_100000702531 [0,0,0,1,0,0|3,0,0]=4 8456 B10R1.21 CCCSCC1CCOC1 62a_100000702531_100000210303 [0,0,0,1,0,0|3,0,0]=4 8457 B10R1.21 CCNCCC1CCCC1 2230a_100000739158_100000210202 [0,0,0,1,0,0|2,0,0]=3 8458 B10R1.21 CCNCCC1CCCC1 2230a_100015525214_100000760354 [0,0,0,1,0,0|2,0,0]=3 8459 B10R1.21 CCNCCC1CCCC1 34a_100000739158_100000210202 [0,0,0,1,0,0|2,0,0]=3 8460 B10R1.21 CCNN=CC1CCCC1 4a_100000756455_100000746403 [0,0,0,1,0,0|3,0,0]=4 8461 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [0,0,0,1,0,0|2,0,0]=3 8462 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [0,0,0,1,0,0|2,0,0]=3 8463 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [0,0,0,1,0,0|2,0,0]=3 8464 B10R1.21 CCOCCC1CCNC1 34a_100016987287_100000210202 [0,0,0,1,0,0|3,0,0]=4 8465 B10R1.21 CCOCCC1CCOC1 34a_100011879284_100000210202 [0,0,0,1,0,0|3,0,0]=4 8466 B10R1.21 CCOCCN1CCCC1 2230a_100000188435_100011215890 [0,0,0,1,0,0|2,0,0]=3 8467 B10R1.21 CCOCCN1CCCC1 269982a_100000188435_100011215890 [0,0,0,1,0,0|2,0,0]=3 8468 B10R1.21 CCOCCN1CCSC1 2230a_100011215254_100011215890 [0,0,0,1,0,0|3,0,0]=4 8469 B10R1.21 CCOCCN1CCSC1 269982a_100011215254_100011215890 [0,0,0,1,0,0|3,0,0]=4 8470 B10R1.21 CCOCSC1CCCC1 62a_100000739092_100000179811 [0,0,0,1,0,0|1,1,0]=3 8471 B10R1.21 CCOCSC1CCCC1 62a_100011217020_100000739092 [0,0,0,1,0,0|1,1,0]=3 8472 B10R1.21 CCOCSC1CCOC1 62a_100000739092_100000690089 [0,0,0,1,0,0|2,1,0]=4 8473 B10R1.21 CCSCCC1CCCC1 62a_100000210202_100000760354 [0,0,0,1,0,0|2,0,0]=3 8474 B10R1.21 CCSCCC1CCCC1 62a_100000760354_100000210202 [0,0,0,1,0,0|2,0,0]=3 8475 B10R1.21 CCSCCN1CCCC1 2230a_100000188435_100000757381 [0,0,0,1,0,0|2,0,0]=3 8476 B10R1.21 CCSCCN1CCCC1 269982a_100000188435_100000757381 [0,0,0,1,0,0|2,0,0]=3 8477 B10R1.21 CCSCCN1CCCC1 62a_100000210202_100000004467 [0,0,0,1,0,0|2,0,0]=3 8478 B10R1.21 CCSCCN1CCCC1 62a_100000700749_100000210202 [0,0,0,1,0,0|2,0,0]=3 8479 B10R1.21 CCSCCN1CCSC1 2230a_100011215254_100000757381 [0,0,0,1,0,0|3,0,0]=4 8480 B10R1.21 CCSCCN1CCSC1 269982a_100011215254_100000757381 [0,0,0,1,0,0|3,0,0]=4 8481 B10R1.21 CNCCCC1CCCC1 2230a_100000736752_200000210301 [0,0,0,1,0,0|2,0,0]=3 8482 B10R1.21 CNCCCC1CCCC1 2230a_106832991635_100011713738 [0,0,0,1,0,0|2,0,0]=3 8483 B10R1.21 CNCCCC1CCCC1 34a_100000736752_200000210301 [0,0,0,1,0,0|2,0,0]=3 8484 B10R1.21 CNCCCC1CCCC1 34a_100102657272_100011713738 [0,0,0,1,0,0|2,0,0]=3 8485 B10R1.21 CNCCCC1CCCC1 7a_106832991635_100011713738 [0,0,0,1,0,0|2,0,0]=3 8486 B10R1.21 CNCCCN1CCCC1 2230a_106832991635_100011445909 [0,0,0,1,0,0|2,0,0]=3 8487 B10R1.21 CNCCCN1CCCC1 34a_100102657272_100016991639 [0,0,0,1,0,0|2,0,0]=3 8488 B10R1.21 CNCCCN1CCCC1 7a_106832991635_100011445909 [0,0,0,1,0,0|2,0,0]=3 8489 B10R1.21 CNCCOC1CCCC1 34a_100000741755_200000210301 [0,0,0,1,0,0|1,0,0]=2 8490 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [0,0,0,1,0,0|2,0,0]=3 8491 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [0,0,0,1,0,0|2,0,0]=3 8492 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [0,0,0,1,0,0|2,0,0]=3 8493 B10R1.21 COCCCN1CCCC1 2230a_100000188435_100000740836 [0,0,0,1,0,0|2,0,0]=3 8494 B10R1.21 COCCCN1CCCC1 269982a_100000188435_100000740836 [0,0,0,1,0,0|2,0,0]=3 8495 B10R1.21 COCCCN1CCCC1 34a_100138415774_100016991639 [0,0,0,1,0,0|2,0,0]=3 8496 B10R1.21 COCCCN1CCSC1 2230a_100011215254_100000740836 [0,0,0,1,0,0|3,0,0]=4 8497 B10R1.21 COCCCN1CCSC1 269982a_100011215254_100000740836 [0,0,0,1,0,0|3,0,0]=4 8498 B10R1.21 COCCNC1CCCC1 2230a_100000209980_100000179811 [0,0,0,1,0,0|2,0,0]=3 8499 B10R1.21 COCCNC1CCCC1 2230a_100000211070_100011201679 [0,0,0,1,0,0|2,0,0]=3 8500 B10R1.21 COCCNC1CCCC1 270004a_100000209980_100000210133 [0,0,0,1,0,0|2,0,0]=3 8501 B10R1.21 COCCNC1CCCC1 34a_100000211070_100011201679 [0,0,0,1,0,0|2,0,0]=3 8502 B10R1.21 COCCNC1CCCC1 34a_200000200444_200000210301 [0,0,0,1,0,0|2,0,0]=3 8503 B10R1.21 COCCNC1CCOC1 2230a_100000209980_100000731011 [0,0,0,1,0,0|3,0,0]=4 8504 B10R1.21 COCCNC1CCOC1 270004a_100000209980_100000752484 [0,0,0,1,0,0|3,0,0]=4 8505 B10R1.21 COCCNC1CCSC1 270004a_100000209980_100000212027 [0,0,0,1,0,0|3,0,0]=4 8506 B10R1.21 COCCN[C@@H]1CCOC1 2230a_200015188469_100011201679 [0,0,0,1,0,0|3,0,0]=4 8507 B10R1.21 COCCN[C@H]1CCOC1 2230a_100015188467_100011201679 [0,0,0,1,0,0|3,0,0]=4 8508 B10R1.21 COCCN[C@H]1CCOC1 34a_100015188467_100011201679 [0,0,0,1,0,0|3,0,0]=4 8509 B10R1.21 COCCOC1CCCC1 34a_100000210237_100000179811 [0,0,0,1,0,0|1,0,0]=2 8510 B10R1.21 COCCOC1CCCC1 34a_100000210269_100011201679 [0,0,0,1,0,0|1,0,0]=2 8511 B10R1.21 COCCOC1CCCC1 34a_100000738311_200000210301 [0,0,0,1,0,0|1,0,0]=2 8512 B10R1.21 COCCOC1CCCC1 7a_100000210269_100000233755 [0,0,0,1,0,0|1,0,0]=2 8513 B10R1.21 COCCOC1CCCC1 7a_100000738311_200000210301 [0,0,0,1,0,0|1,0,0]=2 8514 B10R1.21 COCCOC1CCCO1 34a_100000085407_100011201679 [0,0,0,1,0,0|2,0,0]=3 8515 B10R1.21 COCCOC1CCOC1 34a_100000210237_100000690089 [0,0,0,1,0,0|2,0,0]=3 8516 B10R1.21 COCCOC1CCSC1 7a_100011232664_100000233755 [0,0,0,1,0,0|2,0,0]=3 8517 B10R1.21 COCCO[C@H]1CCOC1 34a_100000717292_100011201679 [0,0,0,1,0,0|2,0,0]=3 8518 B10R1.21 COCCSC1CCCC1 62a_100000233755_100000179811 [0,0,0,1,0,0|1,1,0]=3 8519 B10R1.21 COCCSC1CCCC1 62a_100011217020_100000233755 [0,0,0,1,0,0|1,1,0]=3 8520 B10R1.21 COCCSC1CCOC1 62a_100000233755_100000690089 [0,0,0,1,0,0|2,1,0]=4 8521 B10R1.21 COCNCC1CCCC1 2230a_100000737975_100000766300 [0,0,0,1,0,0|3,0,0]=4 8522 B10R1.21 COCSCC1CCCC1 62a_100000740388_100000766300 [0,0,0,1,0,0|3,0,0]=4 8523 B10R1.21 COCSCC1CCCC1 62a_100000766300_100000740388 [0,0,0,1,0,0|3,0,0]=4 8524 B10R1.21 CSCCCC1CCCC1 62a_100011713738_200000210301 [0,0,0,1,0,0|2,0,0]=3 8525 B10R1.21 CSCCCC1CCCC1 62a_200000210301_100011713738 [0,0,0,1,0,0|2,0,0]=3 8526 B10R1.21 CSCCCN1CCCC1 62a_100016991639_200000210301 [0,0,0,1,0,0|2,0,0]=3 8527 B10R1.21 CSCCCN1CCCC1 62a_200000210301_100011445909 [0,0,0,1,0,0|2,0,0]=3 8528 B10R1.21 CSCCNC1CCCC1 2230a_100000211070_100000751147 [0,0,0,1,0,0|2,0,0]=3 8529 B10R1.21 CSCCNC1CCCC1 2230a_100020590264_100000179811 [0,0,0,1,0,0|2,0,0]=3 8530 B10R1.21 CSCCNC1CCCC1 270004a_100020590264_100000210133 [0,0,0,1,0,0|2,0,0]=3 8531 B10R1.21 CSCCNC1CCCC1 34a_100000211070_100000212216 [0,0,0,1,0,0|2,0,0]=3 8532 B10R1.21 CSCCNC1CCOC1 2230a_100020590264_100000731011 [0,0,0,1,0,0|3,0,0]=4 8533 B10R1.21 CSCCNC1CCOC1 270004a_100020590264_100000752484 [0,0,0,1,0,0|3,0,0]=4 8534 B10R1.21 CSCCNC1CCSC1 270004a_100020590264_100000212027 [0,0,0,1,0,0|3,0,0]=4 8535 B10R1.21 CSCCN[C@@H]1CCOC1 2230a_200015188469_100000751147 [0,0,0,1,0,0|3,0,0]=4 8536 B10R1.21 CSCCN[C@H]1CCOC1 2230a_100015188467_100000751147 [0,0,0,1,0,0|3,0,0]=4 8537 B10R1.21 CSCCN[C@H]1CCOC1 34a_100015188467_100000212216 [0,0,0,1,0,0|3,0,0]=4 8538 B10R1.21 CSCCOC1CCCC1 34a_100000210269_100000212216 [0,0,0,1,0,0|1,0,0]=2 8539 B10R1.21 CSCCOC1CCCC1 34a_100000230434_100000179811 [0,0,0,1,0,0|1,0,0]=2 8540 B10R1.21 CSCCOC1CCCC1 7a_100000210269_100000212216 [0,0,0,1,0,0|1,0,0]=2 8541 B10R1.21 CSCCOC1CCCC1 7a_100000230434_100000179811 [0,0,0,1,0,0|1,0,0]=2 8542 B10R1.21 CSCCOC1CCCO1 34a_100000085407_100000212216 [0,0,0,1,0,0|2,0,0]=3 8543 B10R1.21 CSCCOC1CCOC1 34a_100000230434_100000690089 [0,0,0,1,0,0|2,0,0]=3 8544 B10R1.21 CSCCOC1CCOC1 7a_100000230434_100000731011 [0,0,0,1,0,0|2,0,0]=3 8545 B10R1.21 CSCCOC1CCSC1 7a_100011232664_100000212216 [0,0,0,1,0,0|2,0,0]=3 8546 B10R1.21 CSCCO[C@H]1CCOC1 34a_100000717292_100000212216 [0,0,0,1,0,0|2,0,0]=3 8547 B10R1.21 CSCCSC1CCCC1 62a_100000212216_100000179811 [0,0,0,1,0,0|1,1,0]=3 8548 B10R1.21 CSCCSC1CCCC1 62a_100011217020_100000751147 [0,0,0,1,0,0|1,1,0]=3 8549 B10R1.21 CSCCSC1CCOC1 62a_100000212216_100000690089 [0,0,0,1,0,0|2,1,0]=4 8550 B10R1.21 CSCNCC1CCCC1 2230a_100000737975_100011218213 [0,0,0,1,0,0|3,0,0]=4 8551 B10R1.21 CSCNCC1CCCC1 34a_100000737975_100011218213 [0,0,0,1,0,0|3,0,0]=4 8552 B10R1.21 CSCOCC1CCCC1 34a_100000742336_100011218213 [0,0,0,1,0,0|3,0,0]=4 8553 B10R1.21 CSCSCC1CCCC1 62a_100000740388_100011218213 [0,0,0,1,0,0|3,0,0]=4 8554 B10R1.21 CSCSCC1CCCC1 62a_100011218213_100000740388 [0,0,0,1,0,0|3,0,0]=4 8555 B10R1.21 ClCCCOC1CCCC1 34a_100000230001_100000179811 [0,0,0,1,0,0|1,0,0]=2 8556 B10R1.21 ClCCCOC1CCOC1 34a_100000230001_100000690089 [0,0,0,1,0,0|2,0,0]=3 8557 B10R1.21 FCCCCN1CCCC1 2230a_100000188435_100000729493 [0,0,0,1,0,0|2,0,0]=3 8558 B10R1.21 FCCCCN1CCCC1 269982a_100000188435_100000729493 [0,0,0,1,0,0|2,0,0]=3 8559 B10R1.21 FCCCCN1CCSC1 2230a_100011215254_100000729493 [0,0,0,1,0,0|3,0,0]=4 8560 B10R1.21 FCCCCN1CCSC1 269982a_100011215254_100000729493 [0,0,0,1,0,0|3,0,0]=4 8561 B10R1.21 FCCCNC1CCCC1 2230a_100000211070_100011934791 [0,0,0,1,0,0|2,0,0]=3 8562 B10R1.21 FCCCNC1CCCC1 2230a_100015189416_100000179811 [0,0,0,1,0,0|2,0,0]=3 8563 B10R1.21 FCCCNC1CCCC1 270004a_100015189416_100000210133 [0,0,0,1,0,0|2,0,0]=3 8564 B10R1.21 FCCCNC1CCCC1 34a_100000211070_100011934791 [0,0,0,1,0,0|2,0,0]=3 8565 B10R1.21 FCCCNC1CCCC1 34a_100015189416_100000179811 [0,0,0,1,0,0|2,0,0]=3 8566 B10R1.21 FCCCNC1CCOC1 2230a_100015189416_100000731011 [0,0,0,1,0,0|3,0,0]=4 8567 B10R1.21 FCCCNC1CCOC1 270004a_100015189416_100000752484 [0,0,0,1,0,0|3,0,0]=4 8568 B10R1.21 FCCCNC1CCOC1 34a_100015189416_100000690089 [0,0,0,1,0,0|3,0,0]=4 8569 B10R1.21 FCCCNC1CCSC1 270004a_100015189416_100000212027 [0,0,0,1,0,0|3,0,0]=4 8570 B10R1.21 FCCCN[C@@H]1CCOC1 2230a_200015188469_100011934791 [0,0,0,1,0,0|3,0,0]=4 8571 B10R1.21 FCCCN[C@H]1CCOC1 2230a_100015188467_100011934791 [0,0,0,1,0,0|3,0,0]=4 8572 B10R1.21 FCCCN[C@H]1CCOC1 34a_100015188467_100011934791 [0,0,0,1,0,0|3,0,0]=4 8573 B10R1.21 FCCCOC1CCCC1 34a_100000210269_100011934791 [0,0,0,1,0,0|1,0,0]=2 8574 B10R1.21 FCCCOC1CCCC1 34a_100000759539_100000179811 [0,0,0,1,0,0|1,0,0]=2 8575 B10R1.21 FCCCOC1CCCC1 7a_100000210269_100011934791 [0,0,0,1,0,0|1,0,0]=2 8576 B10R1.21 FCCCOC1CCCO1 34a_100000085407_100011934791 [0,0,0,1,0,0|2,0,0]=3 8577 B10R1.21 FCCCOC1CCOC1 34a_100000759539_100000690089 [0,0,0,1,0,0|2,0,0]=3 8578 B10R1.21 FCCCOC1CCSC1 7a_100011232664_100011934791 [0,0,0,1,0,0|2,0,0]=3 8579 B10R1.21 FCCCO[C@H]1CCOC1 34a_100000717292_100011934791 [0,0,0,1,0,0|2,0,0]=3 8580 B10R1.21 FCCCSC1CCCC1 62a_100011217020_100011934791 [0,0,0,1,0,0|1,1,0]=3 8581 B10R1.21 FCCCSC1CCCC1 62a_100011934791_100000179811 [0,0,0,1,0,0|1,1,0]=3 8582 B10R1.21 FCCCSC1CCOC1 62a_100011934791_100000690089 [0,0,0,1,0,0|2,1,0]=4 8583 B10R1.21 FCCNCC1CCCC1 2230a_100000737975_100011217306 [0,0,0,1,0,0|3,0,0]=4 8584 B10R1.21 FCCNCC1CCCC1 269862a_100000724931_100000746403 [0,0,0,1,0,0|3,0,0]=4 8585 B10R1.21 FCCNCC1CCCC1 34a_100000724931_100000740388 [0,0,0,1,0,0|3,0,0]=4 8586 B10R1.21 FCCNCC1CCCC1 34a_100000737975_100011217306 [0,0,0,1,0,0|3,0,0]=4 8587 B10R1.21 FCCOCC1CCCC1 34a_100000742336_100011217306 [0,0,0,1,0,0|3,0,0]=4 8588 B10R1.21 FCCOCC1CCCC1 7a_100000742336_100011217306 [0,0,0,1,0,0|3,0,0]=4 8589 B10R1.21 FCCSCC1CCCC1 62a_100000740388_100011217306 [0,0,0,1,0,0|3,0,0]=4 8590 B10R1.21 FCCSCC1CCCC1 62a_100011217306_100000740388 [0,0,0,1,0,0|3,0,0]=4 8591 B10R1.21 FCNCCC1CCCC1 34a_100000739158_100015361967 [0,0,0,1,0,0|3,0,0]=4 8592 B10R1.21 FCOCCC1CCCC1 34a_100000749090_100015361967 [0,0,0,1,0,0|3,0,0]=4 8593 B10R1.21 FCOCCC1CCCC1 7a_100000749090_100015361967 [0,0,0,1,0,0|3,0,0]=4 8594 B10R1.21 FCSCCC1CCCC1 62a_100000760354_100015361967 [0,0,0,1,0,0|3,0,0]=4 8595 B10R1.21 FCSCCC1CCCC1 62a_100015361967_100000760354 [0,0,0,1,0,0|3,0,0]=4 8596 B10R1.21 FCSCCN1CCCC1 62a_100000700749_100015361967 [0,0,0,1,0,0|3,0,0]=4 8597 B10R1.21 FCSCCN1CCCC1 62a_100015361967_100000004467 [0,0,0,1,0,0|3,0,0]=4 8598 B10R1.21 N#CCCCN1CCCC1 2230a_100000188435_100000687738 [0,0,0,1,0,0|2,0,1]=4 8599 B10R1.21 N#CCCCN1CCCC1 269982a_100000188435_100000687738 [0,0,0,1,0,0|2,0,1]=4 8600 B10R1.21 N#CCCNC1CCCC1 2230a_100000211070_100011215226 [0,0,0,1,0,0|2,0,1]=4 8601 B10R1.21 N#CCCNC1CCCC1 270004a_100000720768_100000210133 [0,0,0,1,0,0|2,0,1]=4 8602 B10R1.21 N#CCCOC1CCCC1 7a_100000210269_100000184422 [0,0,0,1,0,0|1,0,1]=3 8603 B10R1.21 N#CCCOC1CCSC1 7a_100011232664_100000184422 [0,0,0,1,0,0|2,0,1]=4 8604 B10R1.21 N#CCCSC1CCCC1 62a_100011215226_100000179811 [0,0,0,1,0,0|1,1,1]=4 8605 B10R1.21 N#CCCSC1CCCC1 62a_100011217020_100011215226 [0,0,0,1,0,0|1,1,1]=4 8606 B10R1.21 NCCCOC1CCCC1 34a_100000182051_100000179811 [0,0,0,1,0,0|1,0,0]=2 8607 B10R1.21 NCCCOC1CCOC1 34a_100000182051_100000690089 [0,0,0,1,0,0|2,0,0]=3 8608 B10R1.21 NCCOCC1CCCC1 34a_100000210304_100000740388 [0,0,0,1,0,0|3,0,0]=4 8609 B10R1.21 NOCCOC1CCCC1 34a_100000700252_100000179811 [0,0,0,1,0,0|2,0,0]=3 8610 B10R1.21 NOCCOC1CCOC1 34a_100000700252_100000690089 [0,0,0,1,0,0|3,0,0]=4 8611 B10R1.21 O=CCCCN1CCCC1 2230a_100000188435_200011292268 [0,0,0,1,0,0|2,0,1]=4 8612 B10R1.21 O=CCCCN1CCCC1 269982a_100000188435_200011292268 [0,0,0,1,0,0|2,0,1]=4 8613 B10R1.21 OCCCCN1CCCC1 2230a_100000188435_100000210776 [0,0,0,1,0,0|2,0,0]=3 8614 B10R1.21 OCCCCN1CCCC1 269982a_100000188435_100000210776 [0,0,0,1,0,0|2,0,0]=3 8615 B10R1.21 OCCCCN1CCSC1 2230a_100011215254_100000210776 [0,0,0,1,0,0|3,0,0]=4 8616 B10R1.21 OCCCCN1CCSC1 269982a_100011215254_100000210776 [0,0,0,1,0,0|3,0,0]=4 8617 B10R1.21 OCCCNC1CCCC1 2230a_100000211070_100000230001 [0,0,0,1,0,0|2,0,0]=3 8618 B10R1.21 OCCCNC1CCCC1 270004a_100000182051_100000210133 [0,0,0,1,0,0|2,0,0]=3 8619 B10R1.21 OCCCNC1CCCC1 34a_100000211070_100000230001 [0,0,0,1,0,0|2,0,0]=3 8620 B10R1.21 OCCCNC1CCOC1 270004a_100000182051_100000752484 [0,0,0,1,0,0|3,0,0]=4 8621 B10R1.21 OCCCNC1CCSC1 270004a_100000182051_100000212027 [0,0,0,1,0,0|3,0,0]=4 8622 B10R1.21 OCCCN[C@@H]1CCOC1 2230a_200015188469_100000230001 [0,0,0,1,0,0|3,0,0]=4 8623 B10R1.21 OCCCN[C@H]1CCOC1 2230a_100015188467_100000230001 [0,0,0,1,0,0|3,0,0]=4 8624 B10R1.21 OCCCN[C@H]1CCOC1 34a_100015188467_100000230001 [0,0,0,1,0,0|3,0,0]=4 8625 B10R1.21 OCCCOC1CCCC1 34a_100000210269_100000230001 [0,0,0,1,0,0|1,0,0]=2 8626 B10R1.21 OCCCOC1CCCC1 7a_100000210269_100011215043 [0,0,0,1,0,0|1,0,0]=2 8627 B10R1.21 OCCCOC1CCCO1 34a_100000085407_100000230001 [0,0,0,1,0,0|2,0,0]=3 8628 B10R1.21 OCCCOC1CCSC1 7a_100011232664_100011215043 [0,0,0,1,0,0|2,0,0]=3 8629 B10R1.21 OCCCO[C@H]1CCOC1 34a_100000717292_100000230001 [0,0,0,1,0,0|2,0,0]=3 8630 B10R1.21 OCCCSC1CCCC1 62a_100011215043_100000179811 [0,0,0,1,0,0|1,1,0]=3 8631 B10R1.21 OCCCSC1CCCC1 62a_100011217020_100011215043 [0,0,0,1,0,0|1,1,0]=3 8632 B10R1.21 OCCCSC1CCOC1 62a_100011215043_100000690089 [0,0,0,1,0,0|2,1,0]=4 8633 B10R1.21 OCCNCC1CCCC1 2230a_100000737975_100000211926 [0,0,0,1,0,0|3,0,0]=4 8634 B10R1.21 OCCNCC1CCCC1 2230a_100016997473_100000740388 [0,0,0,1,0,0|3,0,0]=4 8635 B10R1.21 OCCNCC1CCCC1 269862a_100000210304_100000746403 [0,0,0,1,0,0|3,0,0]=4 8636 B10R1.21 OCCNCC1CCCC1 34a_100000737975_100000211926 [0,0,0,1,0,0|3,0,0]=4 8637 B10R1.21 OCCNCC1CCCC1 34a_100016990907_100000740388 [0,0,0,1,0,0|3,0,0]=4 8638 B10R1.21 OCCOCC1CCCC1 34a_100000742336_100000211926 [0,0,0,1,0,0|3,0,0]=4 8639 B10R1.21 OCCOCC1CCCC1 7a_100000742336_100000211926 [0,0,0,1,0,0|3,0,0]=4 8640 B10R1.21 OCCSCC1CCCC1 62a_100000211926_100000740388 [0,0,0,1,0,0|3,0,0]=4 8641 B10R1.21 OCCSCC1CCCC1 62a_100000740388_100000211926 [0,0,0,1,0,0|3,0,0]=4 8642 B10R1.21 [13CH3]NCCCC1CCCC1 2230a_100000736752_200025704644 [0,0,0,1,0,0|2,0,0]=3 8643 B10R1.21 [13CH3]NCCCC1CCCC1 34a_100000736752_200025704644 [0,0,0,1,0,0|2,0,0]=3 8644 B10R1.21 [13CH3]NCCOC1CCCC1 34a_100000741755_200025704644 [0,0,0,1,0,0|1,0,0]=2 8645 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [0,0,0,1,0,0|2,0,0]=3 8646 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [0,0,0,1,0,0|2,0,0]=3 8647 B10R1.21 [13CH3]OCCNC1CCCC1 34a_200000200444_200025704644 [0,0,0,1,0,0|2,0,0]=3 8648 B10R1.21 [13CH3]OCCOC1CCCC1 34a_100000738311_200025704644 [0,0,0,1,0,0|1,0,0]=2 8649 B10R1.21 [13CH3]OCCOC1CCCC1 7a_100000738311_200025704644 [0,0,0,1,0,0|1,0,0]=2 8650 B10R1.21 [13CH3]SCCCC1CCCC1 62a_100011713738_200025704644 [0,0,0,1,0,0|2,0,0]=3 8651 B10R1.21 [13CH3]SCCCC1CCCC1 62a_200025704644_100011713738 [0,0,0,1,0,0|2,0,0]=3 8652 B10R1.21 [13CH3]SCCCN1CCCC1 62a_100016991639_200025704644 [0,0,0,1,0,0|2,0,0]=3 8653 B10R1.21 [13CH3]SCCCN1CCCC1 62a_200025704644_100011445909 [0,0,0,1,0,0|2,0,0]=3 8654 B10R1.29 C#CCCN1CCC[C@@H]1C 2230a_100020605311_100000688953 [0,0,0,1,0,0|1,0,2]=4 8655 B10R1.29 C#CCCN1CCC[C@@H]1C 269982a_100020605311_100000730999 [0,0,0,1,0,0|1,0,2]=4 8656 B10R1.29 C#CCCN1CCC[C@H]1C 2230a_100015189458_100000688953 [0,0,0,1,0,0|1,0,2]=4 8657 B10R1.29 C#CCCN1CCC[C@H]1C 269982a_100015189458_100000730999 [0,0,0,1,0,0|1,0,2]=4 8658 B10R1.29 C#CCCN1CCC[C@H]1C 34a_100015189458_100000688953 [0,0,0,1,0,0|1,0,2]=4 8659 B10R1.29 C/C=C/CN1CCC[C@@H]1C 269982a_100020605311_100102629194 [0,0,0,1,0,0|1,0,2]=4 8660 B10R1.29 C/C=C/CN1CCC[C@H]1C 269982a_100015189458_100102629194 [0,0,0,1,0,0|1,0,2]=4 8661 B10R1.29 C/C=C/CN1CCC[C@H]1C 34a_100015189458_100102629194 [0,0,0,1,0,0|1,0,2]=4 8662 B10R1.29 C=CCCN1CCC[C@@H]1C 2230a_100020605311_100000754431 [0,0,0,1,0,0|1,0,2]=4 8663 B10R1.29 C=CCCN1CCC[C@@H]1C 269982a_100020605311_100000754431 [0,0,0,1,0,0|1,0,2]=4 8664 B10R1.29 C=CCCN1CCC[C@H]1C 2230a_100015189458_100000754431 [0,0,0,1,0,0|1,0,2]=4 8665 B10R1.29 C=CCCN1CCC[C@H]1C 269982a_100015189458_100000754431 [0,0,0,1,0,0|1,0,2]=4 8666 B10R1.29 C=CCCN1CCC[C@H]1C 34a_100015189458_100000754431 [0,0,0,1,0,0|1,0,2]=4 8667 B10R1.29 CC#CCN1CCC[C@@H]1C 2230a_100020605311_100000748600 [0,0,0,1,0,0|1,0,2]=4 8668 B10R1.29 CC#CCN1CCC[C@H]1C 2230a_100015189458_100000748600 [0,0,0,1,0,0|1,0,2]=4 8669 B10R1.29 CC#CCN1CCC[C@H]1C 34a_100015189458_100000748600 [0,0,0,1,0,0|1,0,2]=4 8670 B10R1.29 CC1CCCC1NCCF 269862a_100000724931_100000752053 [0,0,0,1,0,0|3,0,0]=4 8671 B10R1.29 CC1CCCC1NCCO 269862a_100000210304_100000752053 [0,0,0,1,0,0|3,0,0]=4 8672 B10R1.29 CC1CCCC1OCCF 34a_100011216460_100011217306 [0,0,0,1,0,0|3,0,0]=4 8673 B10R1.29 CC1CCCC1OCCF 7a_100011216460_100011217306 [0,0,0,1,0,0|3,0,0]=4 8674 B10R1.29 CC1CCCC1OCCO 34a_100011216460_100000211926 [0,0,0,1,0,0|3,0,0]=4 8675 B10R1.29 CC1CCCC1OCCO 7a_100011216460_100000211926 [0,0,0,1,0,0|3,0,0]=4 8676 B10R1.29 CC1SCCN1CCCF 2230a_200011216479_100011934791 [0,0,0,1,0,0|3,0,0]=4 8677 B10R1.29 CC1SCCN1CCCF 269982a_200011216479_100011934791 [0,0,0,1,0,0|3,0,0]=4 8678 B10R1.29 CC1SCCN1CCCF 34a_200011216479_100011934791 [0,0,0,1,0,0|3,0,0]=4 8679 B10R1.29 CC1SCCN1CCCO 2230a_200011216479_100000230001 [0,0,0,1,0,0|3,0,0]=4 8680 B10R1.29 CC1SCCN1CCCO 269982a_200011216479_100011215043 [0,0,0,1,0,0|3,0,0]=4 8681 B10R1.29 CC1SCCN1CCCO 34a_200011216479_100000230001 [0,0,0,1,0,0|3,0,0]=4 8682 B10R1.29 CC=CCN1CCC[C@@H]1C 2230a_100020605311_100000070051 [0,0,0,1,0,0|1,0,2]=4 8683 B10R1.29 CC=CCN1CCC[C@H]1C 2230a_100015189458_100000070051 [0,0,0,1,0,0|1,0,2]=4 8684 B10R1.29 CC=CCN1CCC[C@H]1C 34a_100015189458_100000070051 [0,0,0,1,0,0|1,0,2]=4 8685 B10R1.29 CCCCC1C=CCN1C 2230a_100015184376_200000210301 [0,0,0,1,0,0|2,0,1]=4 8686 B10R1.29 CCCCC1C=CCN1C 269982a_100015184376_200000210301 [0,0,0,1,0,0|2,0,1]=4 8687 B10R1.29 CCCCC1C=CCN1C 34a_100015184376_200000210301 [0,0,0,1,0,0|2,0,1]=4 8688 B10R1.29 CCCCC1C=CCN1[13CH3] 2230a_100015184376_200025704644 [0,0,0,1,0,0|2,0,1]=4 8689 B10R1.29 CCCCC1C=CCN1[13CH3] 269982a_100015184376_200025704644 [0,0,0,1,0,0|2,0,1]=4 8690 B10R1.29 CCCCC1C=CCN1[13CH3] 34a_100015184376_200025704644 [0,0,0,1,0,0|2,0,1]=4 8691 B10R1.29 CCCCN1CCC[C@@H]1C 2230a_100020605311_100000210211 [0,0,0,1,0,0|1,0,0]=2 8692 B10R1.29 CCCCN1CCC[C@@H]1C 269982a_100020605311_100000210211 [0,0,0,1,0,0|1,0,0]=2 8693 B10R1.29 CCCCN1CCC[C@H]1C 2230a_100015189458_100000210211 [0,0,0,1,0,0|1,0,0]=2 8694 B10R1.29 CCCCN1CCC[C@H]1C 269982a_100015189458_100000210211 [0,0,0,1,0,0|1,0,0]=2 8695 B10R1.29 CCCCN1CCC[C@H]1C 34a_100015189458_100000210210 [0,0,0,1,0,0|1,0,0]=2 8696 B10R1.29 CCCCN1CCSC1C 2230a_200011216479_100000210211 [0,0,0,1,0,0|2,0,0]=3 8697 B10R1.29 CCCCN1CCSC1C 269982a_200011216479_100000210211 [0,0,0,1,0,0|2,0,0]=3 8698 B10R1.29 CCCCN1CCSC1C 34a_200011216479_100000210210 [0,0,0,1,0,0|2,0,0]=3 8699 B10R1.29 CCCNC1CCCC1C 269862a_100020643023_100000752053 [0,0,0,1,0,0|2,0,0]=3 8700 B10R1.29 CCCNC1CCOC1C 270004a_100020643023_100000691750 [0,0,0,1,0,0|3,0,0]=4 8701 B10R1.29 CCCOC1CCCC1C 34a_100011216460_100000210303 [0,0,0,1,0,0|2,0,0]=3 8702 B10R1.29 CCCOC1CCCC1C 7a_100011216460_100000210303 [0,0,0,1,0,0|2,0,0]=3 8703 B10R1.29 CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210303 [0,0,0,1,0,0|3,0,0]=4 8704 B10R1.29 CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210303 [0,0,0,1,0,0|3,0,0]=4 8705 B10R1.29 CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210303 [0,0,0,1,0,0|3,0,0]=4 8706 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_100000210303_200016002552 [0,0,0,1,0,0|3,0,0]=4 8707 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210303 [0,0,0,1,0,0|3,0,0]=4 8708 B10R1.29 CCNN=C1CCCC1C 4a_100000756455_100000752053 [0,0,0,1,0,0|3,0,0]=4 8709 B10R1.29 CCOCC1CCCN1C 34a_100000743107_100000210202 [0,0,0,1,0,0|3,0,0]=4 8710 B10R1.29 CCOCN1CCC[C@@H]1C 269982a_100020605311_100000739092 [0,0,0,1,0,0|2,0,0]=3 8711 B10R1.29 CCOCN1CCC[C@H]1C 269982a_100015189458_100000739092 [0,0,0,1,0,0|2,0,0]=3 8712 B10R1.29 CCOCN1CCSC1C 269982a_200011216479_100000739092 [0,0,0,1,0,0|3,0,0]=4 8713 B10R1.29 CN1CCCC1CCO[13CH3] 34a_100011215177_200025704644 [0,0,0,1,0,0|3,0,0]=4 8714 B10R1.29 CN1CCCC1CCO[13CH3] 7a_100011215177_200025704644 [0,0,0,1,0,0|3,0,0]=4 8715 B10R1.29 CN1CCCC1CCS[13CH3] 62a_100000005710_200025704644 [0,0,0,1,0,0|3,0,0]=4 8716 B10R1.29 CN1CCCC1CCS[13CH3] 62a_200025704644_100000005710 [0,0,0,1,0,0|3,0,0]=4 8717 B10R1.29 CNCCC1CCCN1C 2230a_106832991635_100000005710 [0,0,0,1,0,0|3,0,0]=4 8718 B10R1.29 CNCCC1CCCN1C 34a_100102657272_100000005710 [0,0,0,1,0,0|3,0,0]=4 8719 B10R1.29 CNCCC1CCCN1C 7a_106832991635_100000005710 [0,0,0,1,0,0|3,0,0]=4 8720 B10R1.29 COCCC1CCCN1C 34a_100011215177_200000210301 [0,0,0,1,0,0|3,0,0]=4 8721 B10R1.29 COCCC1CCCN1C 34a_100138415774_100000005710 [0,0,0,1,0,0|3,0,0]=4 8722 B10R1.29 COCCC1CCCN1C 7a_100011215177_200000210301 [0,0,0,1,0,0|3,0,0]=4 8723 B10R1.29 COCCN1CCC[C@@H]1C 2230a_100020605311_100011201679 [0,0,0,1,0,0|2,0,0]=3 8724 B10R1.29 COCCN1CCC[C@@H]1C 269982a_100020605311_100000233755 [0,0,0,1,0,0|2,0,0]=3 8725 B10R1.29 COCCN1CCC[C@H]1C 2230a_100015189458_100011201679 [0,0,0,1,0,0|2,0,0]=3 8726 B10R1.29 COCCN1CCC[C@H]1C 269982a_100015189458_100000233755 [0,0,0,1,0,0|2,0,0]=3 8727 B10R1.29 COCCN1CCC[C@H]1C 34a_100015189458_100011201679 [0,0,0,1,0,0|2,0,0]=3 8728 B10R1.29 COCCN1CCSC1C 2230a_200011216479_100011201679 [0,0,0,1,0,0|3,0,0]=4 8729 B10R1.29 COCCN1CCSC1C 269982a_200011216479_100000233755 [0,0,0,1,0,0|3,0,0]=4 8730 B10R1.29 COCCN1CCSC1C 34a_200011216479_100011201679 [0,0,0,1,0,0|3,0,0]=4 8731 B10R1.29 CSCCC1CCCN1C 62a_100000005710_200000210301 [0,0,0,1,0,0|3,0,0]=4 8732 B10R1.29 CSCCC1CCCN1C 62a_200000210301_100000005710 [0,0,0,1,0,0|3,0,0]=4 8733 B10R1.29 CSCCN1CCC[C@@H]1C 2230a_100020605311_100000751147 [0,0,0,1,0,0|2,0,0]=3 8734 B10R1.29 CSCCN1CCC[C@@H]1C 269982a_100020605311_100000212216 [0,0,0,1,0,0|2,0,0]=3 8735 B10R1.29 CSCCN1CCC[C@H]1C 2230a_100015189458_100000751147 [0,0,0,1,0,0|2,0,0]=3 8736 B10R1.29 CSCCN1CCC[C@H]1C 269982a_100015189458_100000212216 [0,0,0,1,0,0|2,0,0]=3 8737 B10R1.29 CSCCN1CCC[C@H]1C 34a_100015189458_100000212216 [0,0,0,1,0,0|2,0,0]=3 8738 B10R1.29 CSCCN1CCSC1C 2230a_200011216479_100000751147 [0,0,0,1,0,0|3,0,0]=4 8739 B10R1.29 CSCCN1CCSC1C 269982a_200011216479_100000212216 [0,0,0,1,0,0|3,0,0]=4 8740 B10R1.29 CSCCN1CCSC1C 34a_200011216479_100000212216 [0,0,0,1,0,0|3,0,0]=4 8741 B10R1.29 CSCOC1CCCC1C 34a_100011216460_100011218213 [0,0,0,1,0,0|3,0,0]=4 8742 B10R1.29 C[C@@H]1CCCN1CCC#N 2230a_100015189458_100011215226 [0,0,0,1,0,0|2,0,1]=4 8743 B10R1.29 C[C@@H]1CCCN1CCC#N 269982a_100015189458_100011215226 [0,0,0,1,0,0|2,0,1]=4 8744 B10R1.29 C[C@@H]1CCCN1CCCF 2230a_100015189458_100011934791 [0,0,0,1,0,0|2,0,0]=3 8745 B10R1.29 C[C@@H]1CCCN1CCCF 269982a_100015189458_100011934791 [0,0,0,1,0,0|2,0,0]=3 8746 B10R1.29 C[C@@H]1CCCN1CCCF 34a_100015189458_100011934791 [0,0,0,1,0,0|2,0,0]=3 8747 B10R1.29 C[C@@H]1CCCN1CCCO 2230a_100015189458_100000230001 [0,0,0,1,0,0|2,0,0]=3 8748 B10R1.29 C[C@@H]1CCCN1CCCO 269982a_100015189458_100011215043 [0,0,0,1,0,0|2,0,0]=3 8749 B10R1.29 C[C@@H]1CCCN1CCCO 34a_100015189458_100000230001 [0,0,0,1,0,0|2,0,0]=3 8750 B10R1.29 C[C@H]1CCCN1CCC#N 2230a_100020605311_100011215226 [0,0,0,1,0,0|2,0,1]=4 8751 B10R1.29 C[C@H]1CCCN1CCC#N 269982a_100020605311_100011215226 [0,0,0,1,0,0|2,0,1]=4 8752 B10R1.29 C[C@H]1CCCN1CCCF 2230a_100020605311_100011934791 [0,0,0,1,0,0|2,0,0]=3 8753 B10R1.29 C[C@H]1CCCN1CCCF 269982a_100020605311_100011934791 [0,0,0,1,0,0|2,0,0]=3 8754 B10R1.29 C[C@H]1CCCN1CCCO 2230a_100020605311_100000230001 [0,0,0,1,0,0|2,0,0]=3 8755 B10R1.29 C[C@H]1CCCN1CCCO 269982a_100020605311_100011215043 [0,0,0,1,0,0|2,0,0]=3 8756 B10R1.37 C#CCCCN1CCC1C 269982a_100000755817_100011215417 [0,0,0,1,0,0|1,0,2]=4 8757 B10R1.37 C#CCCCN1CCC1C 34a_100000755817_100000695029 [0,0,0,1,0,0|1,0,2]=4 8758 B10R1.37 C=CCCCN1CCC1C 269982a_100000755817_100000757094 [0,0,0,1,0,0|1,0,2]=4 8759 B10R1.37 C=CCCCN1CCC1C 34a_100000755817_100000757094 [0,0,0,1,0,0|1,0,2]=4 8760 B10R1.37 CC/C=C\CN1CCC1C 269982a_100000755817_100103147603 [0,0,0,1,0,0|1,0,2]=4 8761 B10R1.37 CC/C=C\CN1CCC1C 34a_100000755817_100103147603 [0,0,0,1,0,0|1,0,2]=4 8762 B10R1.37 CC1CCN1CCCC#N 269982a_100000755817_100000687738 [0,0,0,1,0,0|2,0,1]=4 8763 B10R1.37 CC1CCN1CCCC=O 269982a_100000755817_200011292268 [0,0,0,1,0,0|2,0,1]=4 8764 B10R1.37 CC1CCN1CCCCF 269982a_100000755817_100000729493 [0,0,0,1,0,0|2,0,0]=3 8765 B10R1.37 CC1CCN1CCCCF 34a_100000755817_100000729493 [0,0,0,1,0,0|2,0,0]=3 8766 B10R1.37 CC1CCN1CCCCO 269982a_100000755817_100000210776 [0,0,0,1,0,0|2,0,0]=3 8767 B10R1.37 CC1CCN1CCCCO 34a_100000755817_100011216708 [0,0,0,1,0,0|2,0,0]=3 8768 B10R1.37 CCC#CCN1CCC1C 34a_100000755817_100009813939 [0,0,0,1,0,0|1,0,2]=4 8769 B10R1.37 CCCCCN1CCC1C 269982a_100000755817_100000210215 [0,0,0,1,0,0|1,0,0]=2 8770 B10R1.37 CCCCCN1CCC1C 34a_100000755817_100000718602 [0,0,0,1,0,0|1,0,0]=2 8771 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,0,0,1,0,0|2,0,1]=4 8772 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,0,0,1,0,0|1,0,1]=3 8773 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,0,0,1,0,0|1,0,1]=3 8774 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,0,0,1,0,0|1,1,1]=4 8775 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,0,0,1,0,0|1,1,1]=4 8776 B10R1.37 CCOCCN1CCC1C 269982a_100000755817_100011215890 [0,0,0,1,0,0|2,0,0]=3 8777 B10R1.37 CCOCCN1CCC1C 34a_100000755817_100000210147 [0,0,0,1,0,0|2,0,0]=3 8778 B10R1.37 CCSCCN1CCC1C 269982a_100000755817_100000757381 [0,0,0,1,0,0|2,0,0]=3 8779 B10R1.37 CCSCCN1CCC1C 34a_100000755817_100000757381 [0,0,0,1,0,0|2,0,0]=3 8780 B10R1.37 COCCCN1CCC1C 269982a_100000755817_100000740836 [0,0,0,1,0,0|2,0,0]=3 8781 B10R1.37 COCCCN1CCC1C 34a_100000755817_100000740836 [0,0,0,1,0,0|2,0,0]=3 8782 B10R1.37 COCCOC1CCC1=O 34a_100000210237_100009892977 [0,0,0,1,0,0|2,0,1]=4 8783 B10R1.37 CSCCOC1CCC1=O 34a_100000230434_100009892977 [0,0,0,1,0,0|2,0,1]=4 8784 B10R1.37 CSCCOC1CCC1=O 7a_100000230434_100009892977 [0,0,0,1,0,0|2,0,1]=4 8785 B10R1.37 NCCCOC1CCC1=O 34a_100000182051_100009892977 [0,0,0,1,0,0|2,0,1]=4 8786 B10R1.37 O=C1CCC1OCCCBr 34a_100011217188_100009892977 [0,0,0,1,0,0|2,0,1]=4 8787 B10R1.37 O=C1CCC1OCCCCl 34a_100000230001_100009892977 [0,0,0,1,0,0|2,0,1]=4 8788 B10R1.37 O=C1CCC1OCCCF 34a_100000759539_100009892977 [0,0,0,1,0,0|2,0,1]=4 8789 B10R1.56 C#CCCOCC1CC1C 34a_100000744939_100000688953 [0,0,0,1,0,0|0,0,2]=3 8790 B10R1.56 C#CCCOCC1CC1C 7a_100000744939_100000688953 [0,0,0,1,0,0|0,0,2]=3 8791 B10R1.56 C/C=C/COCC1CC1C 34a_100000744939_100102629194 [0,0,0,1,0,0|0,0,2]=3 8792 B10R1.56 C/C=C/COCC1CC1C 7a_100000744939_100102629194 [0,0,0,1,0,0|0,0,2]=3 8793 B10R1.56 C=CCCOCC1CC1C 34a_100000744939_100000754431 [0,0,0,1,0,0|0,0,2]=3 8794 B10R1.56 C=CCCOCC1CC1C 7a_100000744939_100000754431 [0,0,0,1,0,0|0,0,2]=3 8795 B10R1.56 CC#CCOCC1CC1C 34a_100000744939_100000748600 [0,0,0,1,0,0|0,0,2]=3 8796 B10R1.56 CC#CCOCC1CC1C 7a_100000744939_100000748600 [0,0,0,1,0,0|0,0,2]=3 8797 B10R1.56 CC1CC1COCCC#N 7a_100000744939_100000184422 [0,0,0,1,0,0|1,0,1]=3 8798 B10R1.56 CC1CC1COCCCF 34a_100000744939_100011934791 [0,0,0,1,0,0|1,0,0]=2 8799 B10R1.56 CC1CC1COCCCF 7a_100000744939_100011934791 [0,0,0,1,0,0|1,0,0]=2 8800 B10R1.56 CC1CC1COCCCO 34a_100000744939_100000230001 [0,0,0,1,0,0|1,0,0]=2 8801 B10R1.56 CC1CC1COCCCO 7a_100000744939_100011215043 [0,0,0,1,0,0|1,0,0]=2 8802 B10R1.56 CC=CCOCC1CC1C 34a_100000744939_100000070051 [0,0,0,1,0,0|0,0,2]=3 8803 B10R1.56 CC=CCOCC1CC1C 7a_100000744939_100000070051 [0,0,0,1,0,0|0,0,2]=3 8804 B10R1.56 CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210326 [0,0,0,1,0,0|2,0,0]=3 8805 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210326 [0,0,0,1,0,0|2,0,0]=3 8806 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000718602 [0,0,0,1,0,0|2,0,0]=3 8807 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [0,0,0,1,0,0|0,0,0]=1 8808 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [0,0,0,1,0,0|0,0,0]=1 8809 B10R1.56 CCOCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215890 [0,0,0,1,0,0|3,0,0]=4 8810 B10R1.56 CCOCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215890 [0,0,0,1,0,0|3,0,0]=4 8811 B10R1.56 CCOCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210147 [0,0,0,1,0,0|3,0,0]=4 8812 B10R1.56 CCSCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000757381 [0,0,0,1,0,0|3,0,0]=4 8813 B10R1.56 CCSCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000757381 [0,0,0,1,0,0|3,0,0]=4 8814 B10R1.56 CCSCCN[C@@H]1C[C@H]1F 34a_100025746932_100000757381 [0,0,0,1,0,0|3,0,0]=4 8815 B10R1.56 COCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000740836 [0,0,0,1,0,0|3,0,0]=4 8816 B10R1.56 COCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000740836 [0,0,0,1,0,0|3,0,0]=4 8817 B10R1.56 COCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000740836 [0,0,0,1,0,0|3,0,0]=4 8818 B10R1.56 COCCOCC1CC1C 34a_100000744939_100011201679 [0,0,0,1,0,0|1,0,0]=2 8819 B10R1.56 COCCOCC1CC1C 7a_100000744939_100000233755 [0,0,0,1,0,0|1,0,0]=2 8820 B10R1.56 CSCCOCC1CC1C 34a_100000744939_100000212216 [0,0,0,1,0,0|1,0,0]=2 8821 B10R1.56 CSCCOCC1CC1C 7a_100000744939_100000212216 [0,0,0,1,0,0|1,0,0]=2 8822 B10R1.56 FCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000729493 [0,0,0,1,0,0|3,0,0]=4 8823 B10R1.56 FCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000729493 [0,0,0,1,0,0|3,0,0]=4 8824 B10R1.56 FCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000729493 [0,0,0,1,0,0|3,0,0]=4 8825 B10R1.56 OCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210776 [0,0,0,1,0,0|3,0,0]=4 8826 B10R1.56 OCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210776 [0,0,0,1,0,0|3,0,0]=4 8827 B10R1.56 OCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011216708 [0,0,0,1,0,0|3,0,0]=4 8828 B10R1.57 BrCCCCOC1CCC1 34a_100011216708_100000749161 [0,0,0,1,0,0|1,0,0]=2 8829 B10R1.57 BrCCCCOC1COC1 34a_100011216708_100009818527 [0,0,0,1,0,0|2,0,0]=3 8830 B10R1.57 BrCCCOCC1CCC1 34a_100011217188_100000763275 [0,0,0,1,0,0|1,0,0]=2 8831 B10R1.57 BrCCCOCC1CCO1 34a_100011217188_100000103362 [0,0,0,1,0,0|2,0,0]=3 8832 B10R1.57 BrCCCOCC1COC1 34a_100011217188_100010264016 [0,0,0,1,0,0|2,0,0]=3 8833 B10R1.57 C#CCCCNC1CCC1 2230a_100000749019_100000731252 [0,0,0,1,0,0|1,0,2]=4 8834 B10R1.57 C#CCCCNC1CCC1 270004a_100000718082_100000241760 [0,0,0,1,0,0|1,0,2]=4 8835 B10R1.57 C#CCCCNC1CCC1 34a_100000718082_100000749161 [0,0,0,1,0,0|1,0,2]=4 8836 B10R1.57 C#CCCCNC1CCC1 34a_100000749019_100000695029 [0,0,0,1,0,0|1,0,2]=4 8837 B10R1.57 C#CCCCOC1CCC1 34a_100000215630_100000749161 [0,0,0,1,0,0|0,0,2]=3 8838 B10R1.57 C#CCCCOC1CCC1 34a_100000748187_100000695029 [0,0,0,1,0,0|0,0,2]=3 8839 B10R1.57 C#CCCCOC1COC1 34a_100000215630_100009818527 [0,0,0,1,0,0|1,0,2]=4 8840 B10R1.57 C#CCCCOC1COC1 7a_100000215630_100009818527 [0,0,0,1,0,0|1,0,2]=4 8841 B10R1.57 C#CCCCOC1CSC1 7a_100000072292_100011215417 [0,0,0,1,0,0|1,0,2]=4 8842 B10R1.57 C#CCCCSC1CCC1 62a_100011215417_100000749161 [0,0,0,1,0,0|0,1,2]=4 8843 B10R1.57 C#CCCNCC1CCC1 2230a_100000738700_100000688953 [0,0,0,1,0,0|1,0,2]=4 8844 B10R1.57 C#CCCNCC1CCC1 34a_100000738700_100000688953 [0,0,0,1,0,0|1,0,2]=4 8845 B10R1.57 C#CCCNCC1CCC1 34a_100000755551_100000763275 [0,0,0,1,0,0|1,0,2]=4 8846 B10R1.57 C#CCCOCC1CCC1 34a_100000760304_100000688953 [0,0,0,1,0,0|0,0,2]=3 8847 B10R1.57 C#CCCOCC1CCC1 34a_100011215631_100000763275 [0,0,0,1,0,0|0,0,2]=3 8848 B10R1.57 C#CCCOCC1CCO1 34a_100000039022_100000688953 [0,0,0,1,0,0|1,0,2]=4 8849 B10R1.57 C#CCCOCC1CCO1 34a_100011215631_100000103362 [0,0,0,1,0,0|1,0,2]=4 8850 B10R1.57 C#CCCOCC1CNC1 34a_100016987283_100000688953 [0,0,0,1,0,0|1,0,2]=4 8851 B10R1.57 C#CCCOCC1COC1 34a_100000060846_100000688953 [0,0,0,1,0,0|1,0,2]=4 8852 B10R1.57 C#CCCOCC1COC1 34a_100011215631_100010264016 [0,0,0,1,0,0|1,0,2]=4 8853 B10R1.57 C#CCCSCC1CCC1 62a_100000688953_100000763275 [0,0,0,1,0,0|0,1,2]=4 8854 B10R1.57 C#CCCSCC1CCC1 62a_100000763275_100000688953 [0,0,0,1,0,0|0,1,2]=4 8855 B10R1.57 C/C=C/CCOC1CCC1 34a_100016278192_100000749161 [0,0,0,1,0,0|0,0,2]=3 8856 B10R1.57 C/C=C/CCOC1COC1 34a_100016278192_100009818527 [0,0,0,1,0,0|1,0,2]=4 8857 B10R1.57 C/C=C/CNCC1CCC1 34a_100000738700_100102629194 [0,0,0,1,0,0|1,0,2]=4 8858 B10R1.57 C/C=C/COCC1CCC1 34a_100000760304_100102629194 [0,0,0,1,0,0|0,0,2]=3 8859 B10R1.57 C/C=C/COCC1CCC1 34a_100016270725_100000763275 [0,0,0,1,0,0|0,0,2]=3 8860 B10R1.57 C/C=C/COCC1CCO1 34a_100000039022_100102629194 [0,0,0,1,0,0|1,0,2]=4 8861 B10R1.57 C/C=C/COCC1CCO1 34a_100016270725_100000103362 [0,0,0,1,0,0|1,0,2]=4 8862 B10R1.57 C/C=C/COCC1CNC1 34a_100016987283_100102629194 [0,0,0,1,0,0|1,0,2]=4 8863 B10R1.57 C/C=C/COCC1COC1 34a_100000060846_100102629194 [0,0,0,1,0,0|1,0,2]=4 8864 B10R1.57 C/C=C/COCC1COC1 34a_100016270725_100010264016 [0,0,0,1,0,0|1,0,2]=4 8865 B10R1.57 C/C=C/CSCC1CCC1 62a_100000763275_100102629194 [0,0,0,1,0,0|0,1,2]=4 8866 B10R1.57 C/C=C/CSCC1CCC1 62a_100102629194_100000763275 [0,0,0,1,0,0|0,1,2]=4 8867 B10R1.57 C=CCCCNC1CCC1 2230a_100000749019_100011713584 [0,0,0,1,0,0|1,0,2]=4 8868 B10R1.57 C=CCCCNC1CCC1 270004a_100000700776_100000241760 [0,0,0,1,0,0|1,0,2]=4 8869 B10R1.57 C=CCCCNC1CCC1 34a_100000700776_100000749161 [0,0,0,1,0,0|1,0,2]=4 8870 B10R1.57 C=CCCCNC1CCC1 34a_100000749019_100000757094 [0,0,0,1,0,0|1,0,2]=4 8871 B10R1.57 C=CCCCOC1CCC1 34a_100000748187_100000757094 [0,0,0,1,0,0|0,0,2]=3 8872 B10R1.57 C=CCCCOC1CCC1 34a_100000758997_100000749161 [0,0,0,1,0,0|0,0,2]=3 8873 B10R1.57 C=CCCCOC1COC1 34a_100000758997_100009818527 [0,0,0,1,0,0|1,0,2]=4 8874 B10R1.57 C=CCCCOC1COC1 7a_100000758997_100009818527 [0,0,0,1,0,0|1,0,2]=4 8875 B10R1.57 C=CCCCOC1CSC1 7a_100000072292_100000757094 [0,0,0,1,0,0|1,0,2]=4 8876 B10R1.57 C=CCCCSC1CCC1 62a_100011713584_100000749161 [0,0,0,1,0,0|0,1,2]=4 8877 B10R1.57 C=CCCNCC1CCC1 2230a_100000738700_100000754431 [0,0,0,1,0,0|1,0,2]=4 8878 B10R1.57 C=CCCNCC1CCC1 2230a_100015191253_100000763275 [0,0,0,1,0,0|1,0,2]=4 8879 B10R1.57 C=CCCNCC1CCC1 269862a_100015191253_100000753134 [0,0,0,1,0,0|1,0,2]=4 8880 B10R1.57 C=CCCNCC1CCC1 34a_100000738700_100000754431 [0,0,0,1,0,0|1,0,2]=4 8881 B10R1.57 C=CCCOCC1CCC1 34a_100000760304_100000754431 [0,0,0,1,0,0|0,0,2]=3 8882 B10R1.57 C=CCCOCC1CCC1 34a_100011205117_100000763275 [0,0,0,1,0,0|0,0,2]=3 8883 B10R1.57 C=CCCOCC1CCO1 34a_100000039022_100000754431 [0,0,0,1,0,0|1,0,2]=4 8884 B10R1.57 C=CCCOCC1CCO1 34a_100011205117_100000103362 [0,0,0,1,0,0|1,0,2]=4 8885 B10R1.57 C=CCCOCC1CNC1 34a_100016987283_100000754431 [0,0,0,1,0,0|1,0,2]=4 8886 B10R1.57 C=CCCOCC1COC1 34a_100000060846_100000754431 [0,0,0,1,0,0|1,0,2]=4 8887 B10R1.57 C=CCCOCC1COC1 34a_100011205117_100010264016 [0,0,0,1,0,0|1,0,2]=4 8888 B10R1.57 C=CCCSCC1CCC1 62a_100000754431_100000763275 [0,0,0,1,0,0|0,1,2]=4 8889 B10R1.57 C=CCCSCC1CCC1 62a_100000763275_100000754431 [0,0,0,1,0,0|0,1,2]=4 8890 B10R1.57 C=COCCOC1CCC1 34a_100000033082_100000749161 [0,0,0,1,0,0|1,0,2]=4 8891 B10R1.57 C=COCCOC1CCC1 34a_100000748187_100000039644 [0,0,0,1,0,0|1,0,2]=4 8892 B10R1.57 CC#CCCOC1CCC1 34a_100000750427_100000749161 [0,0,0,1,0,0|0,0,2]=3 8893 B10R1.57 CC#CCCOC1COC1 34a_100000750427_100009818527 [0,0,0,1,0,0|1,0,2]=4 8894 B10R1.57 CC#CCNCC1CCC1 2230a_100000685387_100000763275 [0,0,0,1,0,0|1,0,2]=4 8895 B10R1.57 CC#CCNCC1CCC1 2230a_100000738700_100000748600 [0,0,0,1,0,0|1,0,2]=4 8896 B10R1.57 CC#CCNCC1CCC1 34a_100000685387_100000763275 [0,0,0,1,0,0|1,0,2]=4 8897 B10R1.57 CC#CCNCC1CCC1 34a_100000738700_100000748600 [0,0,0,1,0,0|1,0,2]=4 8898 B10R1.57 CC#CCOCC1CCC1 34a_100000760304_100000748600 [0,0,0,1,0,0|0,0,2]=3 8899 B10R1.57 CC#CCOCC1CCC1 34a_100000761923_100000763275 [0,0,0,1,0,0|0,0,2]=3 8900 B10R1.57 CC#CCOCC1CCO1 34a_100000039022_100000748600 [0,0,0,1,0,0|1,0,2]=4 8901 B10R1.57 CC#CCOCC1CCO1 34a_100000761923_100000103362 [0,0,0,1,0,0|1,0,2]=4 8902 B10R1.57 CC#CCOCC1CNC1 34a_100016987283_100000748600 [0,0,0,1,0,0|1,0,2]=4 8903 B10R1.57 CC#CCOCC1COC1 34a_100000060846_100000748600 [0,0,0,1,0,0|1,0,2]=4 8904 B10R1.57 CC#CCOCC1COC1 34a_100000761923_100010264016 [0,0,0,1,0,0|1,0,2]=4 8905 B10R1.57 CC#CCSCC1CCC1 62a_100000748600_100000763275 [0,0,0,1,0,0|0,1,2]=4 8906 B10R1.57 CC#CCSCC1CCC1 62a_100000763275_100000748600 [0,0,0,1,0,0|0,1,2]=4 8907 B10R1.57 CC/C=C\CNC1CCC1 2230a_100000749019_100103147603 [0,0,0,1,0,0|1,0,2]=4 8908 B10R1.57 CC/C=C\CNC1CCC1 34a_100000749019_100103147603 [0,0,0,1,0,0|1,0,2]=4 8909 B10R1.57 CC/C=C\COC1CCC1 34a_100000748187_100103147603 [0,0,0,1,0,0|0,0,2]=3 8910 B10R1.57 CC/C=C\COC1CCC1 34a_100016268518_100000749161 [0,0,0,1,0,0|0,0,2]=3 8911 B10R1.57 CC/C=C\COC1COC1 34a_100016268518_100009818527 [0,0,0,1,0,0|1,0,2]=4 8912 B10R1.57 CC/C=C\COC1CSC1 7a_100000072292_100103147603 [0,0,0,1,0,0|1,0,2]=4 8913 B10R1.57 CC/C=C\CSC1CCC1 62a_100103147603_100000749161 [0,0,0,1,0,0|0,1,2]=4 8914 B10R1.57 CC=CCNCC1CCC1 2230a_100000738700_100000070051 [0,0,0,1,0,0|1,0,2]=4 8915 B10R1.57 CC=CCNCC1CCC1 34a_100000738700_100000070051 [0,0,0,1,0,0|1,0,2]=4 8916 B10R1.57 CC=CCOCC1CCC1 34a_100000760304_100000070051 [0,0,0,1,0,0|0,0,2]=3 8917 B10R1.57 CC=CCOCC1CCO1 34a_100000039022_100000070051 [0,0,0,1,0,0|1,0,2]=4 8918 B10R1.57 CC=CCOCC1CNC1 34a_100016987283_100000070051 [0,0,0,1,0,0|1,0,2]=4 8919 B10R1.57 CC=CCOCC1COC1 34a_100000060846_100000070051 [0,0,0,1,0,0|1,0,2]=4 8920 B10R1.57 CC=CCSCC1CCC1 62a_100000070051_100000763275 [0,0,0,1,0,0|0,1,2]=4 8921 B10R1.57 CC=CCSCC1CCC1 62a_100000763275_100000070051 [0,0,0,1,0,0|0,1,2]=4 8922 B10R1.57 CCC#CCNC1CCC1 2230a_100000749019_100009813939 [0,0,0,1,0,0|1,0,2]=4 8923 B10R1.57 CCC#CCNC1CCC1 34a_100000749019_100009813939 [0,0,0,1,0,0|1,0,2]=4 8924 B10R1.57 CCC#CCOC1CCC1 34a_100000032950_100000749161 [0,0,0,1,0,0|0,0,2]=3 8925 B10R1.57 CCC#CCOC1CCC1 34a_100000748187_100009813939 [0,0,0,1,0,0|0,0,2]=3 8926 B10R1.57 CCC#CCOC1COC1 34a_100000032950_100009818527 [0,0,0,1,0,0|1,0,2]=4 8927 B10R1.57 CCC#CCOC1CSC1 7a_100000072292_100009813939 [0,0,0,1,0,0|1,0,2]=4 8928 B10R1.57 CCC#CCSC1CCC1 62a_100009813939_100000749161 [0,0,0,1,0,0|0,1,2]=4 8929 B10R1.57 CCC=NNCC1CCC1 4a_200020586977_100000210100 [0,0,0,1,0,0|2,0,1]=4 8930 B10R1.57 CCCC=NNC1CCC1 4a_100000736358_100000185831 [0,0,0,1,0,0|2,0,1]=4 8931 B10R1.57 CCCCCCN1CCC1 269982a_100000754969_100000210757 [0,0,0,1,0,0|2,0,0]=3 8932 B10R1.57 CCCCCNC1CCC1 2230a_100000749019_100000210326 [0,0,0,1,0,0|1,0,0]=2 8933 B10R1.57 CCCCCNC1CCC1 270004a_100000209983_100000241760 [0,0,0,1,0,0|1,0,0]=2 8934 B10R1.57 CCCCCNC1CCC1 34a_100000749019_100000718602 [0,0,0,1,0,0|1,0,0]=2 8935 B10R1.57 CCCCCNC1COC1 2230a_100016991112_100000210326 [0,0,0,1,0,0|2,0,0]=3 8936 B10R1.57 CCCCCOC1CCC1 34a_100000210253_100000749161 [0,0,0,1,0,0|0,0,0]=1 8937 B10R1.57 CCCCCOC1CCC1 34a_100000748187_100000718602 [0,0,0,1,0,0|0,0,0]=1 8938 B10R1.57 CCCCCOC1COC1 34a_100000210253_100009818527 [0,0,0,1,0,0|1,0,0]=2 8939 B10R1.57 CCCCCOC1COC1 7a_100000210253_100009818527 [0,0,0,1,0,0|1,0,0]=2 8940 B10R1.57 CCCCCOC1CSC1 7a_100000072292_100000210326 [0,0,0,1,0,0|1,0,0]=2 8941 B10R1.57 CCCCCSC1CCC1 62a_100000210326_100000749161 [0,0,0,1,0,0|0,1,0]=2 8942 B10R1.57 CCCCCSC1COC1 62a_100000210326_100009818527 [0,0,0,1,0,0|1,1,0]=3 8943 B10R1.57 CCCCNCC1CCC1 2230a_100000102301_100000763275 [0,0,0,1,0,0|1,0,0]=2 8944 B10R1.57 CCCCNCC1CCC1 2230a_100000738700_100000210211 [0,0,0,1,0,0|1,0,0]=2 8945 B10R1.57 CCCCNCC1CCC1 269862a_100000102301_100000753134 [0,0,0,1,0,0|1,0,0]=2 8946 B10R1.57 CCCCNCC1CCC1 34a_100000738700_100000210210 [0,0,0,1,0,0|1,0,0]=2 8947 B10R1.57 CCCCNCC1CCC1 7a_106832991798_100000763275 [0,0,0,1,0,0|1,0,0]=2 8948 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [0,0,0,1,0,0|2,0,0]=3 8949 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [0,0,0,1,0,0|2,0,0]=3 8950 B10R1.57 CCCCNCC1COC1 2230a_100000102301_100010264016 [0,0,0,1,0,0|2,0,0]=3 8951 B10R1.57 CCCCNCC1COC1 2230a_100015281925_100000210211 [0,0,0,1,0,0|2,0,0]=3 8952 B10R1.57 CCCCNCC1COC1 34a_100015281925_100000210210 [0,0,0,1,0,0|2,0,0]=3 8953 B10R1.57 CCCCNCC1COC1 7a_106832991798_100010264016 [0,0,0,1,0,0|2,0,0]=3 8954 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [0,0,0,1,0,0|2,0,0]=3 8955 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [0,0,0,1,0,0|2,0,0]=3 8956 B10R1.57 CCCCNN=C1CCC1 4a_100025702795_100000241760 [0,0,0,1,0,0|2,0,1]=4 8957 B10R1.57 CCCCOCC1CCC1 34a_100000210227_100000763275 [0,0,0,1,0,0|0,0,0]=1 8958 B10R1.57 CCCCOCC1CCC1 34a_100000760304_100000210210 [0,0,0,1,0,0|0,0,0]=1 8959 B10R1.57 CCCCOCC1CCC1 7a_100000210227_100000763275 [0,0,0,1,0,0|0,0,0]=1 8960 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [0,0,0,1,0,0|1,0,0]=2 8961 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [0,0,0,1,0,0|1,0,0]=2 8962 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [0,0,0,1,0,0|1,0,0]=2 8963 B10R1.57 CCCCOCC1CNC1 34a_100016987283_100000210210 [0,0,0,1,0,0|1,0,0]=2 8964 B10R1.57 CCCCOCC1COC1 34a_100000060846_100000210210 [0,0,0,1,0,0|1,0,0]=2 8965 B10R1.57 CCCCOCC1COC1 34a_100000210227_100010264016 [0,0,0,1,0,0|1,0,0]=2 8966 B10R1.57 CCCCOCC1COC1 7a_100000210227_100010264016 [0,0,0,1,0,0|1,0,0]=2 8967 B10R1.57 CCCCOCN1CCC1 269982a_100000754969_100011995733 [0,0,0,1,0,0|1,0,0]=2 8968 B10R1.57 CCCCSCC1CCC1 62a_100000210211_100000763275 [0,0,0,1,0,0|0,1,0]=2 8969 B10R1.57 CCCCSCC1CCC1 62a_100000763275_100000210210 [0,0,0,1,0,0|0,1,0]=2 8970 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [0,0,0,1,0,0|1,1,0]=3 8971 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [0,0,0,1,0,0|1,1,0]=3 8972 B10R1.57 CCCCSCC1COC1 62a_100000210211_100010264016 [0,0,0,1,0,0|1,1,0]=3 8973 B10R1.57 CCCCSCC1COC1 62a_100010264016_100000210210 [0,0,0,1,0,0|1,1,0]=3 8974 B10R1.57 CCCNN=CC1CCC1 4a_100000740057_100000753134 [0,0,0,1,0,0|2,0,1]=4 8975 B10R1.57 CCCOCCC1COC1 34a_100009855314_100000210303 [0,0,0,1,0,0|3,0,0]=4 8976 B10R1.57 CCCOCCN1CCC1 269982a_100000754969_100011215938 [0,0,0,1,0,0|3,0,0]=4 8977 B10R1.57 CCOCCCN1CCC1 269982a_100000754969_100012232248 [0,0,0,1,0,0|3,0,0]=4 8978 B10R1.57 CCOCCNC1CCC1 2230a_100000749019_100011215890 [0,0,0,1,0,0|2,0,0]=3 8979 B10R1.57 CCOCCNC1CCC1 270004a_102516460346_100000241760 [0,0,0,1,0,0|2,0,0]=3 8980 B10R1.57 CCOCCNC1CCC1 34a_100000749019_100000210147 [0,0,0,1,0,0|2,0,0]=3 8981 B10R1.57 CCOCCNC1CCC1 34a_102516460346_100000749161 [0,0,0,1,0,0|2,0,0]=3 8982 B10R1.57 CCOCCNC1COC1 2230a_100016991112_100011215890 [0,0,0,1,0,0|3,0,0]=4 8983 B10R1.57 CCOCCNC1COC1 34a_102516460346_100009818527 [0,0,0,1,0,0|3,0,0]=4 8984 B10R1.57 CCOCCOC1CCC1 34a_100000210136_100000749161 [0,0,0,1,0,0|1,0,0]=2 8985 B10R1.57 CCOCCOC1CCC1 34a_100000748187_100000210147 [0,0,0,1,0,0|1,0,0]=2 8986 B10R1.57 CCOCCOC1COC1 34a_100000210136_100009818527 [0,0,0,1,0,0|2,0,0]=3 8987 B10R1.57 CCOCCOC1COC1 7a_100000210136_100009818527 [0,0,0,1,0,0|2,0,0]=3 8988 B10R1.57 CCOCCOC1CSC1 7a_100000072292_100011215890 [0,0,0,1,0,0|2,0,0]=3 8989 B10R1.57 CCOCCSC1CCC1 62a_100000210147_100000749161 [0,0,0,1,0,0|1,1,0]=3 8990 B10R1.57 CCOCCSC1COC1 62a_100000210147_100009818527 [0,0,0,1,0,0|2,1,0]=4 8991 B10R1.57 CCOCSCC1CCC1 62a_100000739092_100000763275 [0,0,0,1,0,0|1,1,0]=3 8992 B10R1.57 CCOCSCC1CCC1 62a_100000763275_100000739092 [0,0,0,1,0,0|1,1,0]=3 8993 B10R1.57 CCOCSCC1CCO1 62a_100000103362_100000739092 [0,0,0,1,0,0|2,1,0]=4 8994 B10R1.57 CCOCSCC1CCO1 62a_100000739092_100000103362 [0,0,0,1,0,0|2,1,0]=4 8995 B10R1.57 CCOCSCC1COC1 62a_100000739092_100010264016 [0,0,0,1,0,0|2,1,0]=4 8996 B10R1.57 CCOCSCC1COC1 62a_100010264016_100000739092 [0,0,0,1,0,0|2,1,0]=4 8997 B10R1.57 CCSCCNC1CCC1 2230a_100000749019_100000757381 [0,0,0,1,0,0|2,0,0]=3 8998 B10R1.57 CCSCCNC1CCC1 270004a_100000106463_100000241760 [0,0,0,1,0,0|2,0,0]=3 8999 B10R1.57 CCSCCNC1CCC1 34a_100000749019_100000757381 [0,0,0,1,0,0|2,0,0]=3 9000 B10R1.57 CCSCCNC1COC1 2230a_100016991112_100000757381 [0,0,0,1,0,0|3,0,0]=4 9001 B10R1.57 CCSCCOC1CCC1 34a_100000212035_100000749161 [0,0,0,1,0,0|1,0,0]=2 9002 B10R1.57 CCSCCOC1CCC1 34a_100000748187_100000757381 [0,0,0,1,0,0|1,0,0]=2 9003 B10R1.57 CCSCCOC1COC1 34a_100000212035_100009818527 [0,0,0,1,0,0|2,0,0]=3 9004 B10R1.57 CCSCCOC1COC1 7a_100000212035_100009818527 [0,0,0,1,0,0|2,0,0]=3 9005 B10R1.57 CCSCCOC1CSC1 7a_100000072292_100000757381 [0,0,0,1,0,0|2,0,0]=3 9006 B10R1.57 CCSCCSC1CCC1 62a_100000757381_100000749161 [0,0,0,1,0,0|1,1,0]=3 9007 B10R1.57 CCSCCSC1COC1 62a_100000757381_100009818527 [0,0,0,1,0,0|2,1,0]=4 9008 B10R1.57 CNCCCOC1CCC1 34a_100000213112_100000749161 [0,0,0,1,0,0|1,0,0]=2 9009 B10R1.57 CNCCCOC1COC1 34a_100000213112_100009818527 [0,0,0,1,0,0|2,0,0]=3 9010 B10R1.57 COCCCCN1CCC1 269982a_100000754969_100000730899 [0,0,0,1,0,0|3,0,0]=4 9011 B10R1.57 COCCCNC1CCC1 2230a_100000749019_100000740836 [0,0,0,1,0,0|2,0,0]=3 9012 B10R1.57 COCCCNC1CCC1 270004a_100150723488_100000241760 [0,0,0,1,0,0|2,0,0]=3 9013 B10R1.57 COCCCNC1CCC1 34a_100000749019_100000740836 [0,0,0,1,0,0|2,0,0]=3 9014 B10R1.57 COCCCNC1CCC1 34a_100150723488_100000749161 [0,0,0,1,0,0|2,0,0]=3 9015 B10R1.57 COCCCNC1COC1 2230a_100016991112_100000740836 [0,0,0,1,0,0|3,0,0]=4 9016 B10R1.57 COCCCNC1COC1 34a_100150723488_100009818527 [0,0,0,1,0,0|3,0,0]=4 9017 B10R1.57 COCCCOC1CCC1 34a_100000740835_100000749161 [0,0,0,1,0,0|1,0,0]=2 9018 B10R1.57 COCCCOC1CCC1 34a_100000748187_100000740836 [0,0,0,1,0,0|1,0,0]=2 9019 B10R1.57 COCCCOC1COC1 34a_100000740835_100009818527 [0,0,0,1,0,0|2,0,0]=3 9020 B10R1.57 COCCCOC1CSC1 7a_100000072292_100000740836 [0,0,0,1,0,0|2,0,0]=3 9021 B10R1.57 COCCCSC1CCC1 62a_100000709357_100000749161 [0,0,0,1,0,0|1,1,0]=3 9022 B10R1.57 COCCCSC1COC1 62a_100000709357_100009818527 [0,0,0,1,0,0|2,1,0]=4 9023 B10R1.57 COCCNCC1CCC1 2230a_100000209980_100000763275 [0,0,0,1,0,0|2,0,0]=3 9024 B10R1.57 COCCNCC1CCC1 2230a_100000738700_100011201679 [0,0,0,1,0,0|2,0,0]=3 9025 B10R1.57 COCCNCC1CCC1 269862a_100000209980_100000753134 [0,0,0,1,0,0|2,0,0]=3 9026 B10R1.57 COCCNCC1CCC1 34a_100000738700_100011201679 [0,0,0,1,0,0|2,0,0]=3 9027 B10R1.57 COCCNCC1CCO1 2230a_100000209980_100000103362 [0,0,0,1,0,0|3,0,0]=4 9028 B10R1.57 COCCNCC1COC1 2230a_100000209980_100010264016 [0,0,0,1,0,0|3,0,0]=4 9029 B10R1.57 COCCNCC1COC1 2230a_100015281925_100011201679 [0,0,0,1,0,0|3,0,0]=4 9030 B10R1.57 COCCNCC1COC1 34a_100015281925_100011201679 [0,0,0,1,0,0|3,0,0]=4 9031 B10R1.57 COCCNC[C@@H]1CCO1 2230a_100020831831_100011201679 [0,0,0,1,0,0|3,0,0]=4 9032 B10R1.57 COCCNC[C@@H]1CCO1 34a_100020831831_100011201679 [0,0,0,1,0,0|3,0,0]=4 9033 B10R1.57 COCCOCC1CCC1 34a_100000210237_100000763275 [0,0,0,1,0,0|1,0,0]=2 9034 B10R1.57 COCCOCC1CCC1 34a_100000760304_100011201679 [0,0,0,1,0,0|1,0,0]=2 9035 B10R1.57 COCCOCC1CCO1 34a_100000039022_100011201679 [0,0,0,1,0,0|2,0,0]=3 9036 B10R1.57 COCCOCC1CCO1 34a_100000210237_100000103362 [0,0,0,1,0,0|2,0,0]=3 9037 B10R1.57 COCCOCC1CNC1 34a_100016987283_100011201679 [0,0,0,1,0,0|2,0,0]=3 9038 B10R1.57 COCCOCC1COC1 34a_100000060846_100011201679 [0,0,0,1,0,0|2,0,0]=3 9039 B10R1.57 COCCOCC1COC1 34a_100000210237_100010264016 [0,0,0,1,0,0|2,0,0]=3 9040 B10R1.57 COCCOCN1CCC1 269982a_100000754969_100000231047 [0,0,0,1,0,0|2,0,0]=3 9041 B10R1.57 COCCSCC1CCC1 62a_100000233755_100000763275 [0,0,0,1,0,0|1,1,0]=3 9042 B10R1.57 COCCSCC1CCC1 62a_100000763275_100000233755 [0,0,0,1,0,0|1,1,0]=3 9043 B10R1.57 COCCSCC1CCO1 62a_100000103362_100000233755 [0,0,0,1,0,0|2,1,0]=4 9044 B10R1.57 COCCSCC1CCO1 62a_100000233755_100000103362 [0,0,0,1,0,0|2,1,0]=4 9045 B10R1.57 COCCSCC1COC1 62a_100000233755_100010264016 [0,0,0,1,0,0|2,1,0]=4 9046 B10R1.57 COCCSCC1COC1 62a_100010264016_100000233755 [0,0,0,1,0,0|2,1,0]=4 9047 B10R1.57 CSCCCNC1CCC1 270004a_100000749238_100000241760 [0,0,0,1,0,0|2,0,0]=3 9048 B10R1.57 CSCCCOC1CCC1 34a_100000690336_100000749161 [0,0,0,1,0,0|1,0,0]=2 9049 B10R1.57 CSCCCOC1COC1 34a_100000690336_100009818527 [0,0,0,1,0,0|2,0,0]=3 9050 B10R1.57 CSCCCOC1COC1 7a_100000690336_100009818527 [0,0,0,1,0,0|2,0,0]=3 9051 B10R1.57 CSCCNCC1CCC1 2230a_100000738700_100000751147 [0,0,0,1,0,0|2,0,0]=3 9052 B10R1.57 CSCCNCC1CCC1 2230a_100020590264_100000763275 [0,0,0,1,0,0|2,0,0]=3 9053 B10R1.57 CSCCNCC1CCC1 269862a_100020590264_100000753134 [0,0,0,1,0,0|2,0,0]=3 9054 B10R1.57 CSCCNCC1CCC1 34a_100000738700_100000212216 [0,0,0,1,0,0|2,0,0]=3 9055 B10R1.57 CSCCNCC1CCO1 2230a_100020590264_100000103362 [0,0,0,1,0,0|3,0,0]=4 9056 B10R1.57 CSCCNCC1COC1 2230a_100015281925_100000751147 [0,0,0,1,0,0|3,0,0]=4 9057 B10R1.57 CSCCNCC1COC1 2230a_100020590264_100010264016 [0,0,0,1,0,0|3,0,0]=4 9058 B10R1.57 CSCCNCC1COC1 34a_100015281925_100000212216 [0,0,0,1,0,0|3,0,0]=4 9059 B10R1.57 CSCCNC[C@@H]1CCO1 2230a_100020831831_100000751147 [0,0,0,1,0,0|3,0,0]=4 9060 B10R1.57 CSCCNC[C@@H]1CCO1 34a_100020831831_100000212216 [0,0,0,1,0,0|3,0,0]=4 9061 B10R1.57 CSCCOCC1CCC1 34a_100000230434_100000763275 [0,0,0,1,0,0|1,0,0]=2 9062 B10R1.57 CSCCOCC1CCC1 34a_100000760304_100000212216 [0,0,0,1,0,0|1,0,0]=2 9063 B10R1.57 CSCCOCC1CCC1 7a_100000230434_100000763275 [0,0,0,1,0,0|1,0,0]=2 9064 B10R1.57 CSCCOCC1CCO1 34a_100000039022_100000212216 [0,0,0,1,0,0|2,0,0]=3 9065 B10R1.57 CSCCOCC1CCO1 34a_100000230434_100000103362 [0,0,0,1,0,0|2,0,0]=3 9066 B10R1.57 CSCCOCC1CCO1 7a_100000230434_100000103362 [0,0,0,1,0,0|2,0,0]=3 9067 B10R1.57 CSCCOCC1CNC1 34a_100016987283_100000212216 [0,0,0,1,0,0|2,0,0]=3 9068 B10R1.57 CSCCOCC1COC1 34a_100000060846_100000212216 [0,0,0,1,0,0|2,0,0]=3 9069 B10R1.57 CSCCOCC1COC1 34a_100000230434_100010264016 [0,0,0,1,0,0|2,0,0]=3 9070 B10R1.57 CSCCOCC1COC1 7a_100000230434_100010264016 [0,0,0,1,0,0|2,0,0]=3 9071 B10R1.57 CSCCSCC1CCC1 62a_100000212216_100000763275 [0,0,0,1,0,0|1,1,0]=3 9072 B10R1.57 CSCCSCC1CCC1 62a_100000763275_100000751147 [0,0,0,1,0,0|1,1,0]=3 9073 B10R1.57 CSCCSCC1CCO1 62a_100000103362_100000751147 [0,0,0,1,0,0|2,1,0]=4 9074 B10R1.57 CSCCSCC1CCO1 62a_100000212216_100000103362 [0,0,0,1,0,0|2,1,0]=4 9075 B10R1.57 CSCCSCC1COC1 62a_100000212216_100010264016 [0,0,0,1,0,0|2,1,0]=4 9076 B10R1.57 CSCCSCC1COC1 62a_100010264016_100000751147 [0,0,0,1,0,0|2,1,0]=4 9077 B10R1.57 ClCC#CCOC1CCC1 34a_200000047223_100000749161 [0,0,0,1,0,0|1,0,2]=4 9078 B10R1.57 ClCCCCOC1CCC1 34a_100000210776_100000749161 [0,0,0,1,0,0|1,0,0]=2 9079 B10R1.57 ClCCCCOC1COC1 34a_100000210776_100009818527 [0,0,0,1,0,0|2,0,0]=3 9080 B10R1.57 ClCCCCOC1COC1 7a_100000210776_100009818527 [0,0,0,1,0,0|2,0,0]=3 9081 B10R1.57 ClCCCOCC1CCC1 34a_100000230001_100000763275 [0,0,0,1,0,0|1,0,0]=2 9082 B10R1.57 ClCCCOCC1CCO1 34a_100000230001_100000103362 [0,0,0,1,0,0|2,0,0]=3 9083 B10R1.57 ClCCCOCC1COC1 34a_100000230001_100010264016 [0,0,0,1,0,0|2,0,0]=3 9084 B10R1.57 FCCCCCN1CCC1 269982a_100000754969_100000729378 [0,0,0,1,0,0|3,0,0]=4 9085 B10R1.57 FCCCCNC1CCC1 2230a_100000749019_100000729493 [0,0,0,1,0,0|2,0,0]=3 9086 B10R1.57 FCCCCNC1CCC1 34a_100000749019_100000729493 [0,0,0,1,0,0|2,0,0]=3 9087 B10R1.57 FCCCCNC1COC1 2230a_100016991112_100000729493 [0,0,0,1,0,0|3,0,0]=4 9088 B10R1.57 FCCCCOC1CCC1 34a_100000748187_100000729493 [0,0,0,1,0,0|1,0,0]=2 9089 B10R1.57 FCCCCOC1CCC1 34a_100011995726_100000749161 [0,0,0,1,0,0|1,0,0]=2 9090 B10R1.57 FCCCCOC1COC1 34a_100011995726_100009818527 [0,0,0,1,0,0|2,0,0]=3 9091 B10R1.57 FCCCCOC1COC1 7a_100011995726_100009818527 [0,0,0,1,0,0|2,0,0]=3 9092 B10R1.57 FCCCCOC1CSC1 7a_100000072292_100000729493 [0,0,0,1,0,0|2,0,0]=3 9093 B10R1.57 FCCCCSC1CCC1 62a_100000729493_100000749161 [0,0,0,1,0,0|1,1,0]=3 9094 B10R1.57 FCCCCSC1COC1 62a_100000729493_100009818527 [0,0,0,1,0,0|2,1,0]=4 9095 B10R1.57 FCCCNCC1CCC1 2230a_100000738700_100011934791 [0,0,0,1,0,0|2,0,0]=3 9096 B10R1.57 FCCCNCC1CCC1 2230a_100015189416_100000763275 [0,0,0,1,0,0|2,0,0]=3 9097 B10R1.57 FCCCNCC1CCC1 269862a_100015189416_100000753134 [0,0,0,1,0,0|2,0,0]=3 9098 B10R1.57 FCCCNCC1CCC1 34a_100000738700_100011934791 [0,0,0,1,0,0|2,0,0]=3 9099 B10R1.57 FCCCNCC1CCC1 34a_100015189416_100000763275 [0,0,0,1,0,0|2,0,0]=3 9100 B10R1.57 FCCCNCC1CCO1 2230a_100015189416_100000103362 [0,0,0,1,0,0|3,0,0]=4 9101 B10R1.57 FCCCNCC1CCO1 34a_100015189416_100000103362 [0,0,0,1,0,0|3,0,0]=4 9102 B10R1.57 FCCCNCC1COC1 2230a_100015189416_100010264016 [0,0,0,1,0,0|3,0,0]=4 9103 B10R1.57 FCCCNCC1COC1 2230a_100015281925_100011934791 [0,0,0,1,0,0|3,0,0]=4 9104 B10R1.57 FCCCNCC1COC1 34a_100015189416_100010264016 [0,0,0,1,0,0|3,0,0]=4 9105 B10R1.57 FCCCNCC1COC1 34a_100015281925_100011934791 [0,0,0,1,0,0|3,0,0]=4 9106 B10R1.57 FCCCNC[C@@H]1CCO1 2230a_100020831831_100011934791 [0,0,0,1,0,0|3,0,0]=4 9107 B10R1.57 FCCCNC[C@@H]1CCO1 34a_100020831831_100011934791 [0,0,0,1,0,0|3,0,0]=4 9108 B10R1.57 FCCCOCC1CCC1 34a_100000759539_100000763275 [0,0,0,1,0,0|1,0,0]=2 9109 B10R1.57 FCCCOCC1CCC1 34a_100000760304_100011934791 [0,0,0,1,0,0|1,0,0]=2 9110 B10R1.57 FCCCOCC1CCO1 34a_100000039022_100011934791 [0,0,0,1,0,0|2,0,0]=3 9111 B10R1.57 FCCCOCC1CCO1 34a_100000759539_100000103362 [0,0,0,1,0,0|2,0,0]=3 9112 B10R1.57 FCCCOCC1CNC1 34a_100016987283_100011934791 [0,0,0,1,0,0|2,0,0]=3 9113 B10R1.57 FCCCOCC1COC1 34a_100000060846_100011934791 [0,0,0,1,0,0|2,0,0]=3 9114 B10R1.57 FCCCOCC1COC1 34a_100000759539_100010264016 [0,0,0,1,0,0|2,0,0]=3 9115 B10R1.57 FCCCSCC1CCC1 62a_100000763275_100011934791 [0,0,0,1,0,0|1,1,0]=3 9116 B10R1.57 FCCCSCC1CCC1 62a_100011934791_100000763275 [0,0,0,1,0,0|1,1,0]=3 9117 B10R1.57 FCCCSCC1CCO1 62a_100000103362_100011934791 [0,0,0,1,0,0|2,1,0]=4 9118 B10R1.57 FCCCSCC1CCO1 62a_100011934791_100000103362 [0,0,0,1,0,0|2,1,0]=4 9119 B10R1.57 FCCCSCC1COC1 62a_100010264016_100011934791 [0,0,0,1,0,0|2,1,0]=4 9120 B10R1.57 FCCCSCC1COC1 62a_100011934791_100010264016 [0,0,0,1,0,0|2,1,0]=4 9121 B10R1.57 ICCCCOC1CCC1 34a_200012148704_100000749161 [0,0,0,1,0,0|1,0,0]=2 9122 B10R1.57 ICCCCOC1COC1 34a_200012148704_100009818527 [0,0,0,1,0,0|2,0,0]=3 9123 B10R1.57 N#CCCCNC1CCC1 2230a_100000749019_100000687738 [0,0,0,1,0,0|2,0,1]=4 9124 B10R1.57 N#CCCCOC1CSC1 7a_100000072292_100000687738 [0,0,0,1,0,0|2,0,1]=4 9125 B10R1.57 N#CCCCSC1CCC1 62a_100000687738_100000749161 [0,0,0,1,0,0|1,1,1]=4 9126 B10R1.57 N#CCCNCC1CCC1 2230a_100000738700_100011215226 [0,0,0,1,0,0|2,0,1]=4 9127 B10R1.57 N#CCCSCC1CCC1 62a_100000763275_100011215226 [0,0,0,1,0,0|1,1,1]=4 9128 B10R1.57 N#CCCSCC1CCC1 62a_100011215226_100000763275 [0,0,0,1,0,0|1,1,1]=4 9129 B10R1.57 NCCCCOC1CCC1 34a_100000750430_100000749161 [0,0,0,1,0,0|1,0,0]=2 9130 B10R1.57 NCCCCOC1COC1 34a_100000750430_100009818527 [0,0,0,1,0,0|2,0,0]=3 9131 B10R1.57 NCCCOCC1CCC1 34a_100000182051_100000763275 [0,0,0,1,0,0|1,0,0]=2 9132 B10R1.57 NCCCOCC1CCO1 34a_100000182051_100000103362 [0,0,0,1,0,0|2,0,0]=3 9133 B10R1.57 NCCCOCC1COC1 34a_100000182051_100010264016 [0,0,0,1,0,0|2,0,0]=3 9134 B10R1.57 NOCCOCC1CCC1 34a_100000700252_100000763275 [0,0,0,1,0,0|2,0,0]=3 9135 B10R1.57 NOCCOCC1CCO1 34a_100000700252_100000103362 [0,0,0,1,0,0|3,0,0]=4 9136 B10R1.57 NOCCOCC1COC1 34a_100000700252_100010264016 [0,0,0,1,0,0|3,0,0]=4 9137 B10R1.57 O=CCCCNC1CCC1 2230a_100000749019_200011292268 [0,0,0,1,0,0|2,0,1]=4 9138 B10R1.57 O=CCCCOC1CSC1 7a_100000072292_200011292268 [0,0,0,1,0,0|2,0,1]=4 9139 B10R1.57 O=CCCCSC1CCC1 62a_200011292268_100000749161 [0,0,0,1,0,0|1,1,1]=4 9140 B10R1.57 OCC#CCOC1CCC1 34a_100000748187_200000047223 [0,0,0,1,0,0|1,0,2]=4 9141 B10R1.57 OCCCCCN1CCC1 269982a_100000754969_100000746330 [0,0,0,1,0,0|3,0,0]=4 9142 B10R1.57 OCCCCNC1CCC1 2230a_100000749019_100000210776 [0,0,0,1,0,0|2,0,0]=3 9143 B10R1.57 OCCCCNC1CCC1 270004a_100000750430_100000241760 [0,0,0,1,0,0|2,0,0]=3 9144 B10R1.57 OCCCCNC1CCC1 34a_100000749019_100011216708 [0,0,0,1,0,0|2,0,0]=3 9145 B10R1.57 OCCCCNC1CCC1 34a_100000750430_100000749161 [0,0,0,1,0,0|2,0,0]=3 9146 B10R1.57 OCCCCNC1COC1 2230a_100016991112_100000210776 [0,0,0,1,0,0|3,0,0]=4 9147 B10R1.57 OCCCCNC1COC1 34a_100000750430_100009818527 [0,0,0,1,0,0|3,0,0]=4 9148 B10R1.57 OCCCCOC1CCC1 34a_100000748187_100011216708 [0,0,0,1,0,0|1,0,0]=2 9149 B10R1.57 OCCCCOC1CSC1 7a_100000072292_100000210776 [0,0,0,1,0,0|2,0,0]=3 9150 B10R1.57 OCCCCSC1CCC1 62a_100000210776_100000749161 [0,0,0,1,0,0|1,1,0]=3 9151 B10R1.57 OCCCCSC1COC1 62a_100000210776_100009818527 [0,0,0,1,0,0|2,1,0]=4 9152 B10R1.57 OCCCNCC1CCC1 2230a_100000738700_100000230001 [0,0,0,1,0,0|2,0,0]=3 9153 B10R1.57 OCCCNCC1CCC1 269862a_100000182051_100000753134 [0,0,0,1,0,0|2,0,0]=3 9154 B10R1.57 OCCCNCC1CCC1 34a_100000738700_100000230001 [0,0,0,1,0,0|2,0,0]=3 9155 B10R1.57 OCCCNCC1COC1 2230a_100015281925_100000230001 [0,0,0,1,0,0|3,0,0]=4 9156 B10R1.57 OCCCNCC1COC1 34a_100015281925_100000230001 [0,0,0,1,0,0|3,0,0]=4 9157 B10R1.57 OCCCNC[C@@H]1CCO1 2230a_100020831831_100000230001 [0,0,0,1,0,0|3,0,0]=4 9158 B10R1.57 OCCCNC[C@@H]1CCO1 34a_100020831831_100000230001 [0,0,0,1,0,0|3,0,0]=4 9159 B10R1.57 OCCCOCC1CCC1 34a_100000760304_100000230001 [0,0,0,1,0,0|1,0,0]=2 9160 B10R1.57 OCCCOCC1CCO1 34a_100000039022_100000230001 [0,0,0,1,0,0|2,0,0]=3 9161 B10R1.57 OCCCOCC1CNC1 34a_100016987283_100000230001 [0,0,0,1,0,0|2,0,0]=3 9162 B10R1.57 OCCCOCC1COC1 34a_100000060846_100000230001 [0,0,0,1,0,0|2,0,0]=3 9163 B10R1.57 OCCCSCC1CCC1 62a_100000763275_100011215043 [0,0,0,1,0,0|1,1,0]=3 9164 B10R1.57 OCCCSCC1CCC1 62a_100011215043_100000763275 [0,0,0,1,0,0|1,1,0]=3 9165 B10R1.57 OCCCSCC1CCO1 62a_100000103362_100011215043 [0,0,0,1,0,0|2,1,0]=4 9166 B10R1.57 OCCCSCC1CCO1 62a_100011215043_100000103362 [0,0,0,1,0,0|2,1,0]=4 9167 B10R1.57 OCCCSCC1COC1 62a_100010264016_100011215043 [0,0,0,1,0,0|2,1,0]=4 9168 B10R1.57 OCCCSCC1COC1 62a_100011215043_100010264016 [0,0,0,1,0,0|2,1,0]=4 9169 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [0,0,0,1,0,0|2,0,0]=3 9170 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [0,0,0,1,0,0|2,0,0]=3 9171 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [0,0,0,1,0,0|2,0,0]=3 9172 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [0,0,0,1,0,0|2,0,0]=3 9173 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [0,0,0,1,0,0|2,0,0]=3 9174 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [0,0,0,1,0,0|2,0,0]=3 9175 B10R1.85 CCCN1CCCCCC1 2230a_100000185865_100000210303 [0,0,0,1,0,0|2,0,0]=3 9176 B10R1.85 CCCN1CCCCCC1 269982a_100000185865_100000210303 [0,0,0,1,0,0|2,0,0]=3 9177 B10R1.85 CCCN1CCCCCC1 34a_100000185865_100000210303 [0,0,0,1,0,0|2,0,0]=3 9178 B10R1.85 CCCN1CCCOCC1 2230a_100000685342_100000210303 [0,0,0,1,0,0|3,0,0]=4 9179 B10R1.85 CCCN1CCCOCC1 269982a_100000685342_100000210303 [0,0,0,1,0,0|3,0,0]=4 9180 B10R1.85 CCCN1CCCOCC1 34a_100000685342_100000210303 [0,0,0,1,0,0|3,0,0]=4 9181 B10R1.85 CCNC1CCCCCC1 2230a_100000210984_100000210202 [0,0,0,1,0,0|2,0,0]=3 9182 B10R1.85 CCNC1CCCCCC1 270004a_100015525214_100000210131 [0,0,0,1,0,0|2,0,0]=3 9183 B10R1.85 CCNC1CCCCCC1 34a_100000210984_100000210202 [0,0,0,1,0,0|2,0,0]=3 9184 B10R1.85 CCNC1CCCNCC1 270004a_100015525214_100015187895 [0,0,0,1,0,0|3,0,0]=4 9185 B10R1.85 CCNC1CSCCSC1 270004a_100015525214_100000068409 [0,0,0,1,0,0|2,1,0]=4 9186 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [0,0,0,1,0,0|2,0,0]=3 9187 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [0,0,0,1,0,0|2,0,0]=3 9188 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [0,0,0,1,0,0|2,0,0]=3 9189 B10R1.85 CCSC1CCCCCC1 62a_100000210202_100011217769 [0,0,0,1,0,0|2,0,0]=3 9190 B10R1.85 CCSC1CCCCCC1 62a_100011217769_100000210202 [0,0,0,1,0,0|2,0,0]=3 9191 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [0,0,0,1,0,0|2,0,0]=3 9192 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [0,0,0,1,0,0|2,0,0]=3 9193 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [0,0,0,1,0,0|2,0,0]=3 9194 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [0,0,0,1,0,0|2,0,0]=3 9195 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [0,0,0,1,0,0|2,0,0]=3 9196 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [0,0,0,1,0,0|2,0,0]=3 9197 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [0,0,0,1,0,0|2,0,0]=3 9198 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [0,0,0,1,0,0|2,0,0]=3 9199 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [0,0,0,1,0,0|2,0,0]=3 9200 B10R1.85 COCC1CNCCOC1 34a_100103147999_200000210301 [0,0,0,1,0,0|2,0,0]=3 9201 B10R1.85 COCN1CCCCCC1 2230a_100000185865_100000766300 [0,0,0,1,0,0|3,0,0]=4 9202 B10R1.85 COCN1CCCCCC1 269982a_100000185865_100000766300 [0,0,0,1,0,0|3,0,0]=4 9203 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [0,0,0,1,0,0|2,0,0]=3 9204 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [0,0,0,1,0,0|2,0,0]=3 9205 B10R1.85 CSCN1CCCCCC1 2230a_100000185865_100011218213 [0,0,0,1,0,0|3,0,0]=4 9206 B10R1.85 CSCN1CCCCCC1 269982a_100000185865_100011218213 [0,0,0,1,0,0|3,0,0]=4 9207 B10R1.85 CSCN1CCCCCC1 34a_100000185865_100011218213 [0,0,0,1,0,0|3,0,0]=4 9208 B10R1.85 FCCN1CCCCCC1 2230a_100000185865_100011217306 [0,0,0,1,0,0|3,0,0]=4 9209 B10R1.85 FCCN1CCCCCC1 269982a_100000185865_100011217306 [0,0,0,1,0,0|3,0,0]=4 9210 B10R1.85 FCCN1CCCCCC1 34a_100000185865_100011217306 [0,0,0,1,0,0|3,0,0]=4 9211 B10R1.85 FCNC1CCCCCC1 34a_100000210984_100015361967 [0,0,0,1,0,0|3,0,0]=4 9212 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [0,0,0,1,0,0|3,0,0]=4 9213 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [0,0,0,1,0,0|3,0,0]=4 9214 B10R1.85 FCSC1CCCCCC1 62a_100011217769_100015361967 [0,0,0,1,0,0|3,0,0]=4 9215 B10R1.85 FCSC1CCCCCC1 62a_100015361967_100011217769 [0,0,0,1,0,0|3,0,0]=4 9216 B10R1.85 OCCN1CCCCCC1 2230a_100000185865_100000211926 [0,0,0,1,0,0|3,0,0]=4 9217 B10R1.85 OCCN1CCCCCC1 269982a_100000185865_100000211926 [0,0,0,1,0,0|3,0,0]=4 9218 B10R1.85 OCCN1CCCCCC1 34a_100000185865_100000211926 [0,0,0,1,0,0|3,0,0]=4 9219 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [0,0,0,1,0,0|2,0,0]=3 9220 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [0,0,0,1,0,0|2,0,0]=3 9221 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [0,0,0,1,0,0|2,0,0]=3 9222 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [0,0,0,1,0,0|2,0,0]=3 9223 B10R1.85 [13CH3]OCC1CNCCOC1 34a_100103147999_200025704644 [0,0,0,1,0,0|2,0,0]=3 9224 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [0,0,0,1,0,0|2,0,0]=3 9225 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [0,0,0,1,0,0|2,0,0]=3 9226 B10R1.132 CCCN1CCC1COC 2230a_100015195929_100000210303 [0,0,0,1,0,0|3,0,0]=4 9227 B10R1.132 CCCN1CCC1COC 269982a_100015195929_100000210303 [0,0,0,1,0,0|3,0,0]=4 9228 B10R1.132 CCCN1CCC1COC 34a_100015195929_100000210303 [0,0,0,1,0,0|3,0,0]=4 9229 B10R1.161 CCN1CCCCCCC1 2230a_100000211400_100000210202 [0,0,0,1,0,0|2,0,0]=3 9230 B10R1.161 CCN1CCCCCCC1 269982a_100000211400_100000204670 [0,0,0,1,0,0|2,0,0]=3 9231 B10R1.161 CCN1CCCCCCC1 34a_100000211400_100000210202 [0,0,0,1,0,0|2,0,0]=3 9232 B10R1.161 CNC1CC/C=C\CCC1 34a_100102657272_100021000466 [0,0,0,1,0,0|2,0,1]=4 9233 B10R1.161 CNC1CC/C=C\CCC1 7a_106832991635_100021000466 [0,0,0,1,0,0|2,0,1]=4 9234 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [0,0,0,1,0,0|2,0,0]=3 9235 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [0,0,0,1,0,0|2,0,0]=3 9236 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [0,0,0,1,0,0|2,0,0]=3 9237 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [0,0,0,1,0,0|2,0,1]=4 9238 B10R1.161 COC1CC/C=C\CCC1 34a_100016989180_200000210301 [0,0,0,1,0,0|2,0,1]=4 9239 B10R1.161 COC1CC/C=C\CCC1 34a_100138415774_100021000466 [0,0,0,1,0,0|2,0,1]=4 9240 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [0,0,0,1,0,0|2,0,0]=3 9241 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [0,0,0,1,0,0|2,0,0]=3 9242 B10R1.161 CSC1CC/C=C\CCC1 62a_100021000466_200000210301 [0,0,0,1,0,0|2,0,1]=4 9243 B10R1.161 CSC1CC/C=C\CCC1 62a_200000210301_100021000466 [0,0,0,1,0,0|2,0,1]=4 9244 B10R1.161 FCN1CCCCCCC1 269982a_100000211400_100015361967 [0,0,0,1,0,0|3,0,0]=4 9245 B10R1.161 FCN1CCCCCCC1 34a_100000211400_100015361967 [0,0,0,1,0,0|3,0,0]=4 9246 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [0,0,0,1,0,0|2,0,0]=3 9247 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [0,0,0,1,0,0|2,0,0]=3 9248 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [0,0,0,1,0,0|2,0,1]=4 9249 B10R1.161 [13CH3]OC1CC/C=C\CCC1 34a_100016989180_200025704644 [0,0,0,1,0,0|2,0,1]=4 9250 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [0,0,0,1,0,0|2,0,0]=3 9251 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [0,0,0,1,0,0|2,0,0]=3 9252 B10R1.161 [13CH3]SC1CC/C=C\CCC1 62a_100021000466_200025704644 [0,0,0,1,0,0|2,0,1]=4 9253 B10R1.161 [13CH3]SC1CC/C=C\CCC1 62a_200025704644_100021000466 [0,0,0,1,0,0|2,0,1]=4 9254 B10R1.177 BrCCCCCOC1CC1 34a_100000746331_100000211595 [0,0,0,1,0,0|3,0,0]=4 9255 B10R1.177 BrCCCCOCC1CC1 34a_100011216708_100000742324 [0,0,0,1,0,0|1,0,0]=2 9256 B10R1.177 BrCCCCOCC1CO1 34a_100011216708_102125554688 [0,0,0,1,0,0|2,0,0]=3 9257 B10R1.177 BrCCCOCCC1CC1 34a_100011217188_100000694398 [0,0,0,1,0,0|1,0,0]=2 9258 B10R1.177 BrCCCOCCC1CO1 34a_100011217188_100000732470 [0,0,0,1,0,0|2,0,0]=3 9259 B10R1.177 C#CCCCNCC1CC1 2230a_100000735609_100000731252 [0,0,0,1,0,0|1,0,2]=4 9260 B10R1.177 C#CCCCNCC1CC1 34a_100000718082_100000742324 [0,0,0,1,0,0|1,0,2]=4 9261 B10R1.177 C#CCCCNCC1CC1 34a_100000735609_100000695029 [0,0,0,1,0,0|1,0,2]=4 9262 B10R1.177 C#CCCCOCC1CC1 34a_100000211283_100000695029 [0,0,0,1,0,0|0,0,2]=3 9263 B10R1.177 C#CCCCOCC1CC1 34a_100000215630_100000742324 [0,0,0,1,0,0|0,0,2]=3 9264 B10R1.177 C#CCCCOCC1CC1 7a_100000215630_100000742324 [0,0,0,1,0,0|0,0,2]=3 9265 B10R1.177 C#CCCCOCC1CO1 34a_100000215630_102125554688 [0,0,0,1,0,0|1,0,2]=4 9266 B10R1.177 C#CCCCOCC1CO1 7a_100000215630_102125554688 [0,0,0,1,0,0|1,0,2]=4 9267 B10R1.177 C#CCCCOCC1CS1 7a_100000215630_100000031435 [0,0,0,1,0,0|1,0,2]=4 9268 B10R1.177 C#CCCCOC[C@@H]1CO1 34a_100000757423_100000695029 [0,0,0,1,0,0|1,0,2]=4 9269 B10R1.177 C#CCCCOC[C@@H]1CO1 7a_100000215630_100000745022 [0,0,0,1,0,0|1,0,2]=4 9270 B10R1.177 C#CCCCSCC1CC1 62a_100000756562_100011215417 [0,0,0,1,0,0|0,1,2]=4 9271 B10R1.177 C#CCCCSCC1CC1 62a_100011215417_100000742324 [0,0,0,1,0,0|0,1,2]=4 9272 B10R1.177 C#CCCNCCC1CC1 34a_100000755551_100000694398 [0,0,0,1,0,0|1,0,2]=4 9273 B10R1.177 C#CCCNCCC1CC1 34a_100000764129_100000688953 [0,0,0,1,0,0|1,0,2]=4 9274 B10R1.177 C#CCCOCCC1CC1 34a_100000754188_100000688953 [0,0,0,1,0,0|0,0,2]=3 9275 B10R1.177 C#CCCOCCC1CC1 34a_100011215631_100000694398 [0,0,0,1,0,0|0,0,2]=3 9276 B10R1.177 C#CCCOCCC1CC1 7a_100000754188_100000688953 [0,0,0,1,0,0|0,0,2]=3 9277 B10R1.177 C#CCCOCCC1CO1 34a_100011215631_100000732470 [0,0,0,1,0,0|1,0,2]=4 9278 B10R1.177 C#CCCOCC[C@@H]1CO1 34a_100009820653_100000688953 [0,0,0,1,0,0|1,0,2]=4 9279 B10R1.177 C#CCCSCCC1CC1 62a_100000688953_100000764125 [0,0,0,1,0,0|0,1,2]=4 9280 B10R1.177 C#CCCSCCC1CC1 62a_100000764125_100000688953 [0,0,0,1,0,0|0,1,2]=4 9281 B10R1.177 C/C=C/CCOCC1CC1 34a_100016278192_100000742324 [0,0,0,1,0,0|0,0,2]=3 9282 B10R1.177 C/C=C/CCOCC1CO1 34a_100016278192_102125554688 [0,0,0,1,0,0|1,0,2]=4 9283 B10R1.177 C/C=C/CNCCC1CC1 34a_100000764129_100102629194 [0,0,0,1,0,0|1,0,2]=4 9284 B10R1.177 C/C=C/COCCC1CC1 34a_100000754188_100102629194 [0,0,0,1,0,0|0,0,2]=3 9285 B10R1.177 C/C=C/COCCC1CC1 34a_100016270725_100000694398 [0,0,0,1,0,0|0,0,2]=3 9286 B10R1.177 C/C=C/COCCC1CC1 7a_100000754188_100102629194 [0,0,0,1,0,0|0,0,2]=3 9287 B10R1.177 C/C=C/COCCC1CO1 34a_100016270725_100000732470 [0,0,0,1,0,0|1,0,2]=4 9288 B10R1.177 C/C=C/COCC[C@@H]1CO1 34a_100009820653_100102629194 [0,0,0,1,0,0|1,0,2]=4 9289 B10R1.177 C/C=C/CSCCC1CC1 62a_100000764125_100102629194 [0,0,0,1,0,0|0,1,2]=4 9290 B10R1.177 C/C=C/CSCCC1CC1 62a_100102629194_100000764125 [0,0,0,1,0,0|0,1,2]=4 9291 B10R1.177 C=CCCCNCC1CC1 2230a_100000700776_100000742324 [0,0,0,1,0,0|1,0,2]=4 9292 B10R1.177 C=CCCCNCC1CC1 2230a_100000735609_100011713584 [0,0,0,1,0,0|1,0,2]=4 9293 B10R1.177 C=CCCCNCC1CC1 269862a_100000700776_100000741477 [0,0,0,1,0,0|1,0,2]=4 9294 B10R1.177 C=CCCCNCC1CC1 34a_100000700776_100000742324 [0,0,0,1,0,0|1,0,2]=4 9295 B10R1.177 C=CCCCNCC1CC1 34a_100000735609_100000757094 [0,0,0,1,0,0|1,0,2]=4 9296 B10R1.177 C=CCCCOCC1CC1 34a_100000211283_100000757094 [0,0,0,1,0,0|0,0,2]=3 9297 B10R1.177 C=CCCCOCC1CC1 34a_100000758997_100000742324 [0,0,0,1,0,0|0,0,2]=3 9298 B10R1.177 C=CCCCOCC1CC1 7a_100000758997_100000742324 [0,0,0,1,0,0|0,0,2]=3 9299 B10R1.177 C=CCCCOCC1CO1 34a_100000758997_102125554688 [0,0,0,1,0,0|1,0,2]=4 9300 B10R1.177 C=CCCCOCC1CO1 7a_100000758997_102125554688 [0,0,0,1,0,0|1,0,2]=4 9301 B10R1.177 C=CCCCOCC1CS1 7a_100000758997_100000031435 [0,0,0,1,0,0|1,0,2]=4 9302 B10R1.177 C=CCCCOC[C@@H]1CO1 34a_100000757423_100000757094 [0,0,0,1,0,0|1,0,2]=4 9303 B10R1.177 C=CCCCOC[C@@H]1CO1 7a_100000758997_100000745022 [0,0,0,1,0,0|1,0,2]=4 9304 B10R1.177 C=CCCCSCC1CC1 62a_100000756562_100000757094 [0,0,0,1,0,0|0,1,2]=4 9305 B10R1.177 C=CCCCSCC1CC1 62a_100011713584_100000742324 [0,0,0,1,0,0|0,1,2]=4 9306 B10R1.177 C=CCCNCCC1CC1 2230a_100015191253_100000694398 [0,0,0,1,0,0|1,0,2]=4 9307 B10R1.177 C=CCCNCCC1CC1 34a_100000764129_100000754431 [0,0,0,1,0,0|1,0,2]=4 9308 B10R1.177 C=CCCOCCC1CC1 34a_100000754188_100000754431 [0,0,0,1,0,0|0,0,2]=3 9309 B10R1.177 C=CCCOCCC1CC1 34a_100011205117_100000694398 [0,0,0,1,0,0|0,0,2]=3 9310 B10R1.177 C=CCCOCCC1CC1 7a_100000754188_100000754431 [0,0,0,1,0,0|0,0,2]=3 9311 B10R1.177 C=CCCOCCC1CO1 34a_100011205117_100000732470 [0,0,0,1,0,0|1,0,2]=4 9312 B10R1.177 C=CCCOCC[C@@H]1CO1 34a_100009820653_100000754431 [0,0,0,1,0,0|1,0,2]=4 9313 B10R1.177 C=CCCSCCC1CC1 62a_100000754431_100000764125 [0,0,0,1,0,0|0,1,2]=4 9314 B10R1.177 C=CCCSCCC1CC1 62a_100000764125_100000754431 [0,0,0,1,0,0|0,1,2]=4 9315 B10R1.177 C=COCCOCC1CC1 34a_100000033082_100000742324 [0,0,0,1,0,0|1,0,2]=4 9316 B10R1.177 C=COCCOCC1CC1 34a_100000211283_100000039644 [0,0,0,1,0,0|1,0,2]=4 9317 B10R1.177 CC#CCCOCC1CC1 34a_100000750427_100000742324 [0,0,0,1,0,0|0,0,2]=3 9318 B10R1.177 CC#CCCOCC1CO1 34a_100000750427_102125554688 [0,0,0,1,0,0|1,0,2]=4 9319 B10R1.177 CC#CCNCCC1CC1 2230a_100000685387_100000694398 [0,0,0,1,0,0|1,0,2]=4 9320 B10R1.177 CC#CCNCCC1CC1 34a_100000685387_100000694398 [0,0,0,1,0,0|1,0,2]=4 9321 B10R1.177 CC#CCNCCC1CC1 34a_100000764129_100000748600 [0,0,0,1,0,0|1,0,2]=4 9322 B10R1.177 CC#CCOCCC1CC1 34a_100000754188_100000748600 [0,0,0,1,0,0|0,0,2]=3 9323 B10R1.177 CC#CCOCCC1CC1 34a_100000761923_100000694398 [0,0,0,1,0,0|0,0,2]=3 9324 B10R1.177 CC#CCOCCC1CC1 7a_100000754188_100000748600 [0,0,0,1,0,0|0,0,2]=3 9325 B10R1.177 CC#CCOCCC1CO1 34a_100000761923_100000732470 [0,0,0,1,0,0|1,0,2]=4 9326 B10R1.177 CC#CCOCC[C@@H]1CO1 34a_100009820653_100000748600 [0,0,0,1,0,0|1,0,2]=4 9327 B10R1.177 CC#CCSCCC1CC1 62a_100000748600_100000764125 [0,0,0,1,0,0|0,1,2]=4 9328 B10R1.177 CC#CCSCCC1CC1 62a_100000764125_100000748600 [0,0,0,1,0,0|0,1,2]=4 9329 B10R1.177 CC/C=C\CNCC1CC1 2230a_100000735609_100103147603 [0,0,0,1,0,0|1,0,2]=4 9330 B10R1.177 CC/C=C\CNCC1CC1 34a_100000735609_100103147603 [0,0,0,1,0,0|1,0,2]=4 9331 B10R1.177 CC/C=C\COCC1CC1 34a_100000211283_100103147603 [0,0,0,1,0,0|0,0,2]=3 9332 B10R1.177 CC/C=C\COCC1CC1 34a_100016268518_100000742324 [0,0,0,1,0,0|0,0,2]=3 9333 B10R1.177 CC/C=C\COCC1CO1 34a_100016268518_102125554688 [0,0,0,1,0,0|1,0,2]=4 9334 B10R1.177 CC/C=C\COC[C@@H]1CO1 34a_100000757423_100103147603 [0,0,0,1,0,0|1,0,2]=4 9335 B10R1.177 CC/C=C\CSCC1CC1 62a_100000756562_100103147603 [0,0,0,1,0,0|0,1,2]=4 9336 B10R1.177 CC/C=C\CSCC1CC1 62a_100103147603_100000742324 [0,0,0,1,0,0|0,1,2]=4 9337 B10R1.177 CC=CCNCCC1CC1 34a_100000764129_100000070051 [0,0,0,1,0,0|1,0,2]=4 9338 B10R1.177 CC=CCOCCC1CC1 34a_100000754188_100000070051 [0,0,0,1,0,0|0,0,2]=3 9339 B10R1.177 CC=CCOCCC1CC1 7a_100000754188_100000070051 [0,0,0,1,0,0|0,0,2]=3 9340 B10R1.177 CC=CCOCC[C@@H]1CO1 34a_100009820653_100000070051 [0,0,0,1,0,0|1,0,2]=4 9341 B10R1.177 CC=CCSCCC1CC1 62a_100000070051_100000764125 [0,0,0,1,0,0|0,1,2]=4 9342 B10R1.177 CC=CCSCCC1CC1 62a_100000764125_100000070051 [0,0,0,1,0,0|0,1,2]=4 9343 B10R1.177 CCC#CCNCC1CC1 2230a_100000735609_100009813939 [0,0,0,1,0,0|1,0,2]=4 9344 B10R1.177 CCC#CCNCC1CC1 34a_100000735609_100009813939 [0,0,0,1,0,0|1,0,2]=4 9345 B10R1.177 CCC#CCOCC1CC1 34a_100000032950_100000742324 [0,0,0,1,0,0|0,0,2]=3 9346 B10R1.177 CCC#CCOCC1CC1 34a_100000211283_100009813939 [0,0,0,1,0,0|0,0,2]=3 9347 B10R1.177 CCC#CCOCC1CO1 34a_100000032950_102125554688 [0,0,0,1,0,0|1,0,2]=4 9348 B10R1.177 CCC#CCOC[C@@H]1CO1 34a_100000757423_100009813939 [0,0,0,1,0,0|1,0,2]=4 9349 B10R1.177 CCC#CCSCC1CC1 62a_100000756562_100009813939 [0,0,0,1,0,0|0,1,2]=4 9350 B10R1.177 CCC#CCSCC1CC1 62a_100009813939_100000742324 [0,0,0,1,0,0|0,1,2]=4 9351 B10R1.177 CCC/C=C/COC1CC1 34a_100016278788_100000211595 [0,0,0,1,0,0|2,0,1]=4 9352 B10R1.177 CCCC#CCOC1CC1 34a_100000034806_100000211595 [0,0,0,1,0,0|2,0,1]=4 9353 B10R1.177 CCCC=NNCC1CC1 4a_100000736359_100000185831 [0,0,0,1,0,0|2,0,1]=4 9354 B10R1.177 CCCCC=NNC1CC1 4a_100000701032_100000210104 [0,0,0,1,0,0|2,0,1]=4 9355 B10R1.177 CCCCCCNC1CC1 34a_100000212008_100000210314 [0,0,0,1,0,0|2,0,0]=3 9356 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [0,0,0,1,0,0|2,0,0]=3 9357 B10R1.177 CCCCCCSC1CC1 62a_100000210314_100000211595 [0,0,0,1,0,0|2,0,0]=3 9358 B10R1.177 CCCCCNCC1CC1 2230a_100000209983_100000742324 [0,0,0,1,0,0|1,0,0]=2 9359 B10R1.177 CCCCCNCC1CC1 2230a_100000735609_100000210326 [0,0,0,1,0,0|1,0,0]=2 9360 B10R1.177 CCCCCNCC1CC1 269862a_100000209983_100000741477 [0,0,0,1,0,0|1,0,0]=2 9361 B10R1.177 CCCCCNCC1CC1 34a_100000735609_100000718602 [0,0,0,1,0,0|1,0,0]=2 9362 B10R1.177 CCCCCNCC1CO1 2230a_100000209983_100011216344 [0,0,0,1,0,0|2,0,0]=3 9363 B10R1.177 CCCCCOCC1CC1 34a_100000210253_100000742324 [0,0,0,1,0,0|0,0,0]=1 9364 B10R1.177 CCCCCOCC1CC1 34a_100000211283_100000718602 [0,0,0,1,0,0|0,0,0]=1 9365 B10R1.177 CCCCCOCC1CC1 7a_100000210253_100000742324 [0,0,0,1,0,0|0,0,0]=1 9366 B10R1.177 CCCCCOCC1CO1 34a_100000210253_102125554688 [0,0,0,1,0,0|1,0,0]=2 9367 B10R1.177 CCCCCOCC1CO1 7a_100000210253_102125554688 [0,0,0,1,0,0|1,0,0]=2 9368 B10R1.177 CCCCCOCC1CS1 7a_100000210253_100000031435 [0,0,0,1,0,0|1,0,0]=2 9369 B10R1.177 CCCCCOC[C@@H]1CO1 34a_100000757423_100000718602 [0,0,0,1,0,0|1,0,0]=2 9370 B10R1.177 CCCCCOC[C@@H]1CO1 7a_100000210253_100000745022 [0,0,0,1,0,0|1,0,0]=2 9371 B10R1.177 CCCCCSCC1CC1 62a_100000210326_100000742324 [0,0,0,1,0,0|0,1,0]=2 9372 B10R1.177 CCCCCSCC1CC1 62a_100000756562_100000210326 [0,0,0,1,0,0|0,1,0]=2 9373 B10R1.177 CCCCCSCC1CO1 62a_100000210326_102125554688 [0,0,0,1,0,0|1,1,0]=3 9374 B10R1.177 CCCCCSCC1CO1 62a_102125554688_100000210326 [0,0,0,1,0,0|1,1,0]=3 9375 B10R1.177 CCCCCSCC1CS1 62a_100000031435_100000210326 [0,0,0,1,0,0|1,1,0]=3 9376 B10R1.177 CCCCCSCC1CS1 62a_100000210326_100000031435 [0,0,0,1,0,0|1,1,0]=3 9377 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000210326_100000745022 [0,0,0,1,0,0|1,1,0]=3 9378 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000745022_100000210326 [0,0,0,1,0,0|1,1,0]=3 9379 B10R1.177 CCCCNCCC1CC1 2230a_100000102301_100000694398 [0,0,0,1,0,0|1,0,0]=2 9380 B10R1.177 CCCCNCCC1CC1 34a_100000764129_100000210210 [0,0,0,1,0,0|1,0,0]=2 9381 B10R1.177 CCCCNCCC1CC1 7a_106832991798_100000764125 [0,0,0,1,0,0|1,0,0]=2 9382 B10R1.177 CCCCNCCC1CO1 2230a_100000102301_100000732470 [0,0,0,1,0,0|2,0,0]=3 9383 B10R1.177 CCCCNCCC1CO1 7a_106832991798_100000732470 [0,0,0,1,0,0|2,0,0]=3 9384 B10R1.177 CCCCNN=CC1CC1 4a_100025702795_100000741477 [0,0,0,1,0,0|2,0,1]=4 9385 B10R1.177 CCCCOCCC1CC1 34a_100000210227_100000694398 [0,0,0,1,0,0|0,0,0]=1 9386 B10R1.177 CCCCOCCC1CC1 34a_100000754188_100000210210 [0,0,0,1,0,0|0,0,0]=1 9387 B10R1.177 CCCCOCCC1CC1 7a_100000210227_100000764125 [0,0,0,1,0,0|0,0,0]=1 9388 B10R1.177 CCCCOCCC1CC1 7a_100000754188_100000210211 [0,0,0,1,0,0|0,0,0]=1 9389 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [0,0,0,1,0,0|1,0,0]=2 9390 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [0,0,0,1,0,0|1,0,0]=2 9391 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [0,0,0,1,0,0|1,0,0]=2 9392 B10R1.177 CCCCOCNC1CC1 34a_100000212008_100011995733 [0,0,0,1,0,0|1,0,0]=2 9393 B10R1.177 CCCCOCSC1CC1 62a_100011995733_100000211595 [0,0,0,1,0,0|1,0,0]=2 9394 B10R1.177 CCCCSCCC1CC1 62a_100000210211_100000764125 [0,0,0,1,0,0|0,1,0]=2 9395 B10R1.177 CCCCSCCC1CC1 62a_100000764125_100000210210 [0,0,0,1,0,0|0,1,0]=2 9396 B10R1.177 CCCCSCCC1CO1 62a_100000210211_100000732470 [0,0,0,1,0,0|1,1,0]=3 9397 B10R1.177 CCCCSCCC1CO1 62a_100000732470_100000210210 [0,0,0,1,0,0|1,1,0]=3 9398 B10R1.177 CCCOCC#CC1CC1 34a_100000083941_100000210303 [0,0,0,1,0,0|2,0,1]=4 9399 B10R1.177 CCCOCC#CC1CC1 34a_100000210258_100009895102 [0,0,0,1,0,0|2,0,1]=4 9400 B10R1.177 CCCOCC#CC1CC1 7a_100000083941_100000210303 [0,0,0,1,0,0|2,0,1]=4 9401 B10R1.177 CCCOCCCC1CO1 34a_100000210258_100000733510 [0,0,0,1,0,0|3,0,0]=4 9402 B10R1.177 CCCOCCNC1CC1 34a_100000212008_100011215938 [0,0,0,1,0,0|3,0,0]=4 9403 B10R1.177 CCCOCCNC1CC1 34a_100000738766_100000210303 [0,0,0,1,0,0|3,0,0]=4 9404 B10R1.177 CCCOCCNC1CC1 34a_100161115042_100000211595 [0,0,0,1,0,0|3,0,0]=4 9405 B10R1.177 CCCOCCOC1CC1 34a_100000752267_100000211595 [0,0,0,1,0,0|3,0,0]=4 9406 B10R1.177 CCCOCCSC1CC1 62a_100011215938_100000211595 [0,0,0,1,0,0|3,0,0]=4 9407 B10R1.177 CCCSCC#CC1CC1 62a_100000210303_100009895102 [0,0,0,1,0,0|2,0,1]=4 9408 B10R1.177 CCCSCC#CC1CC1 62a_100009895102_100000210303 [0,0,0,1,0,0|2,0,1]=4 9409 B10R1.177 CCCSCCCC1CO1 62a_100000210303_100000733510 [0,0,0,1,0,0|3,0,0]=4 9410 B10R1.177 CCCSCCCC1CO1 62a_100000733510_100000210303 [0,0,0,1,0,0|3,0,0]=4 9411 B10R1.177 CCCSCCOC1CC1 34a_200000230433_100000211595 [0,0,0,1,0,0|3,0,0]=4 9412 B10R1.177 CCOCCCNC1CC1 34a_100000210961_100000211595 [0,0,0,1,0,0|3,0,0]=4 9413 B10R1.177 CCOCCCNC1CC1 34a_100000212008_100012232248 [0,0,0,1,0,0|3,0,0]=4 9414 B10R1.177 CCOCCCOC1CC1 34a_100000757476_100000211595 [0,0,0,1,0,0|3,0,0]=4 9415 B10R1.177 CCOCCCSC1CC1 62a_100012232248_100000211595 [0,0,0,1,0,0|3,0,0]=4 9416 B10R1.177 CCOCCNCC1CC1 2230a_100000735609_100011215890 [0,0,0,1,0,0|2,0,0]=3 9417 B10R1.177 CCOCCNCC1CC1 2230a_102516460346_100000742324 [0,0,0,1,0,0|2,0,0]=3 9418 B10R1.177 CCOCCNCC1CC1 269862a_100011200944_100000741477 [0,0,0,1,0,0|2,0,0]=3 9419 B10R1.177 CCOCCNCC1CC1 34a_100000735609_100000210147 [0,0,0,1,0,0|2,0,0]=3 9420 B10R1.177 CCOCCNCC1CC1 34a_102516460346_100000742324 [0,0,0,1,0,0|2,0,0]=3 9421 B10R1.177 CCOCCNCC1CO1 2230a_102516460346_100011216344 [0,0,0,1,0,0|3,0,0]=4 9422 B10R1.177 CCOCCNCC1CO1 34a_102516460346_102125554688 [0,0,0,1,0,0|3,0,0]=4 9423 B10R1.177 CCOCCOCC1CC1 34a_100000210136_100000742324 [0,0,0,1,0,0|1,0,0]=2 9424 B10R1.177 CCOCCOCC1CC1 34a_100000211283_100000210147 [0,0,0,1,0,0|1,0,0]=2 9425 B10R1.177 CCOCCOCC1CC1 7a_100000210136_100000742324 [0,0,0,1,0,0|1,0,0]=2 9426 B10R1.177 CCOCCOCC1CO1 34a_100000210136_102125554688 [0,0,0,1,0,0|2,0,0]=3 9427 B10R1.177 CCOCCOCC1CO1 7a_100000210136_102125554688 [0,0,0,1,0,0|2,0,0]=3 9428 B10R1.177 CCOCCOCC1CS1 7a_100000210136_100000031435 [0,0,0,1,0,0|2,0,0]=3 9429 B10R1.177 CCOCCOC[C@@H]1CO1 34a_100000757423_100000210147 [0,0,0,1,0,0|2,0,0]=3 9430 B10R1.177 CCOCCOC[C@@H]1CO1 7a_100000210136_100000745022 [0,0,0,1,0,0|2,0,0]=3 9431 B10R1.177 CCOCCSCC1CC1 62a_100000210147_100000742324 [0,0,0,1,0,0|1,1,0]=3 9432 B10R1.177 CCOCCSCC1CC1 62a_100000756562_100011215890 [0,0,0,1,0,0|1,1,0]=3 9433 B10R1.177 CCOCCSCC1CO1 62a_100000210147_102125554688 [0,0,0,1,0,0|2,1,0]=4 9434 B10R1.177 CCOCCSCC1CO1 62a_102125554688_100011215890 [0,0,0,1,0,0|2,1,0]=4 9435 B10R1.177 CCOCCSCC1CS1 62a_100000031435_100011215890 [0,0,0,1,0,0|2,1,0]=4 9436 B10R1.177 CCOCCSCC1CS1 62a_100000210147_100000031435 [0,0,0,1,0,0|2,1,0]=4 9437 B10R1.177 CCOCCSC[C@@H]1CO1 62a_100000210147_100000745022 [0,0,0,1,0,0|2,1,0]=4 9438 B10R1.177 CCOCCSC[C@@H]1CO1 62a_100000745022_100011215890 [0,0,0,1,0,0|2,1,0]=4 9439 B10R1.177 CCOCSCCC1CC1 62a_100000739092_100000764125 [0,0,0,1,0,0|1,1,0]=3 9440 B10R1.177 CCOCSCCC1CC1 62a_100000764125_100000739092 [0,0,0,1,0,0|1,1,0]=3 9441 B10R1.177 CCOCSCCC1CO1 62a_100000732470_100000739092 [0,0,0,1,0,0|2,1,0]=4 9442 B10R1.177 CCOCSCCC1CO1 62a_100000739092_100000732470 [0,0,0,1,0,0|2,1,0]=4 9443 B10R1.177 CCSCCCOC1CC1 34a_100011216438_100000211595 [0,0,0,1,0,0|3,0,0]=4 9444 B10R1.177 CCSCCNCC1CC1 2230a_100000106463_100000742324 [0,0,0,1,0,0|2,0,0]=3 9445 B10R1.177 CCSCCNCC1CC1 2230a_100000735609_100000757381 [0,0,0,1,0,0|2,0,0]=3 9446 B10R1.177 CCSCCNCC1CC1 269862a_100000106463_100000741477 [0,0,0,1,0,0|2,0,0]=3 9447 B10R1.177 CCSCCNCC1CC1 34a_100000735609_100000757381 [0,0,0,1,0,0|2,0,0]=3 9448 B10R1.177 CCSCCNCC1CO1 2230a_100000106463_100011216344 [0,0,0,1,0,0|3,0,0]=4 9449 B10R1.177 CCSCCOCC1CC1 34a_100000211283_100000757381 [0,0,0,1,0,0|1,0,0]=2 9450 B10R1.177 CCSCCOCC1CC1 34a_100000212035_100000742324 [0,0,0,1,0,0|1,0,0]=2 9451 B10R1.177 CCSCCOCC1CC1 7a_100000212035_100000742324 [0,0,0,1,0,0|1,0,0]=2 9452 B10R1.177 CCSCCOCC1CO1 34a_100000212035_102125554688 [0,0,0,1,0,0|2,0,0]=3 9453 B10R1.177 CCSCCOCC1CO1 7a_100000212035_102125554688 [0,0,0,1,0,0|2,0,0]=3 9454 B10R1.177 CCSCCOCC1CS1 7a_100000212035_100000031435 [0,0,0,1,0,0|2,0,0]=3 9455 B10R1.177 CCSCCOC[C@@H]1CO1 34a_100000757423_100000757381 [0,0,0,1,0,0|2,0,0]=3 9456 B10R1.177 CCSCCOC[C@@H]1CO1 7a_100000212035_100000745022 [0,0,0,1,0,0|2,0,0]=3 9457 B10R1.177 CCSCCSCC1CC1 62a_100000756562_100000757381 [0,0,0,1,0,0|1,1,0]=3 9458 B10R1.177 CCSCCSCC1CC1 62a_100000757381_100000742324 [0,0,0,1,0,0|1,1,0]=3 9459 B10R1.177 CCSCCSCC1CO1 62a_100000757381_102125554688 [0,0,0,1,0,0|2,1,0]=4 9460 B10R1.177 CCSCCSCC1CO1 62a_102125554688_100000757381 [0,0,0,1,0,0|2,1,0]=4 9461 B10R1.177 CCSCCSCC1CS1 62a_100000031435_100000757381 [0,0,0,1,0,0|2,1,0]=4 9462 B10R1.177 CCSCCSCC1CS1 62a_100000757381_100000031435 [0,0,0,1,0,0|2,1,0]=4 9463 B10R1.177 CCSCCSC[C@@H]1CO1 62a_100000745022_100000757381 [0,0,0,1,0,0|2,1,0]=4 9464 B10R1.177 CCSCCSC[C@@H]1CO1 62a_100000757381_100000745022 [0,0,0,1,0,0|2,1,0]=4 9465 B10R1.177 CNCCCOCC1CC1 34a_100000213112_100000742324 [0,0,0,1,0,0|1,0,0]=2 9466 B10R1.177 CNCCCOCC1CO1 34a_100000213112_102125554688 [0,0,0,1,0,0|2,0,0]=3 9467 B10R1.177 COCCCCNC1CC1 34a_100000212008_100000755781 [0,0,0,1,0,0|3,0,0]=4 9468 B10R1.177 COCCCCOC1CC1 34a_100000740925_100000211595 [0,0,0,1,0,0|3,0,0]=4 9469 B10R1.177 COCCCCSC1CC1 62a_100000730899_100000211595 [0,0,0,1,0,0|3,0,0]=4 9470 B10R1.177 COCCCNCC1CC1 2230a_100000735609_100000740836 [0,0,0,1,0,0|2,0,0]=3 9471 B10R1.177 COCCCNCC1CC1 269862a_100150723488_100000741477 [0,0,0,1,0,0|2,0,0]=3 9472 B10R1.177 COCCCNCC1CC1 34a_100000735609_100000740836 [0,0,0,1,0,0|2,0,0]=3 9473 B10R1.177 COCCCNCC1CC1 34a_100150723488_100000742324 [0,0,0,1,0,0|2,0,0]=3 9474 B10R1.177 COCCCNCC1CO1 34a_100150723488_102125554688 [0,0,0,1,0,0|3,0,0]=4 9475 B10R1.177 COCCCOCC1CC1 34a_100000211283_100000740836 [0,0,0,1,0,0|1,0,0]=2 9476 B10R1.177 COCCCOCC1CC1 34a_100000740835_100000742324 [0,0,0,1,0,0|1,0,0]=2 9477 B10R1.177 COCCCOCC1CO1 34a_100000740835_102125554688 [0,0,0,1,0,0|2,0,0]=3 9478 B10R1.177 COCCCOC[C@@H]1CO1 34a_100000757423_100000740836 [0,0,0,1,0,0|2,0,0]=3 9479 B10R1.177 COCCCSCC1CC1 62a_100000709357_100000742324 [0,0,0,1,0,0|1,1,0]=3 9480 B10R1.177 COCCCSCC1CC1 62a_100000756562_100000709357 [0,0,0,1,0,0|1,1,0]=3 9481 B10R1.177 COCCCSCC1CO1 62a_100000709357_102125554688 [0,0,0,1,0,0|2,1,0]=4 9482 B10R1.177 COCCCSCC1CO1 62a_102125554688_100000709357 [0,0,0,1,0,0|2,1,0]=4 9483 B10R1.177 COCCCSCC1CS1 62a_100000031435_100000709357 [0,0,0,1,0,0|2,1,0]=4 9484 B10R1.177 COCCCSCC1CS1 62a_100000709357_100000031435 [0,0,0,1,0,0|2,1,0]=4 9485 B10R1.177 COCCCSC[C@@H]1CO1 62a_100000709357_100000745022 [0,0,0,1,0,0|2,1,0]=4 9486 B10R1.177 COCCCSC[C@@H]1CO1 62a_100000745022_100000709357 [0,0,0,1,0,0|2,1,0]=4 9487 B10R1.177 COCCNCCC1CC1 2230a_100000209980_100000694398 [0,0,0,1,0,0|2,0,0]=3 9488 B10R1.177 COCCNCCC1CC1 34a_100000764129_100011201679 [0,0,0,1,0,0|2,0,0]=3 9489 B10R1.177 COCCNCCC1CO1 2230a_100000209980_100000732470 [0,0,0,1,0,0|3,0,0]=4 9490 B10R1.177 COCCOCCC1CC1 34a_100000210237_100000694398 [0,0,0,1,0,0|1,0,0]=2 9491 B10R1.177 COCCOCCC1CC1 34a_100000754188_100011201679 [0,0,0,1,0,0|1,0,0]=2 9492 B10R1.177 COCCOCCC1CC1 7a_100000754188_100000233755 [0,0,0,1,0,0|1,0,0]=2 9493 B10R1.177 COCCOCCC1CO1 34a_100000210237_100000732470 [0,0,0,1,0,0|2,0,0]=3 9494 B10R1.177 COCCOCC[C@@H]1CO1 34a_100009820653_100011201679 [0,0,0,1,0,0|2,0,0]=3 9495 B10R1.177 COCCOCSC1CC1 62a_100000231047_100000211595 [0,0,0,1,0,0|2,0,0]=3 9496 B10R1.177 COCCSCCC1CC1 62a_100000233755_100000764125 [0,0,0,1,0,0|1,1,0]=3 9497 B10R1.177 COCCSCCC1CC1 62a_100000764125_100000233755 [0,0,0,1,0,0|1,1,0]=3 9498 B10R1.177 COCCSCCC1CO1 62a_100000233755_100000732470 [0,0,0,1,0,0|2,1,0]=4 9499 B10R1.177 COCCSCCC1CO1 62a_100000732470_100000233755 [0,0,0,1,0,0|2,1,0]=4 9500 B10R1.177 CSCCCCOC1CC1 34a_100011217163_100000211595 [0,0,0,1,0,0|3,0,0]=4 9501 B10R1.177 CSCCCNCC1CC1 2230a_100000749238_100000742324 [0,0,0,1,0,0|2,0,0]=3 9502 B10R1.177 CSCCCNCC1CC1 269862a_100000749238_100000741477 [0,0,0,1,0,0|2,0,0]=3 9503 B10R1.177 CSCCCNCC1CO1 2230a_100000749238_100011216344 [0,0,0,1,0,0|3,0,0]=4 9504 B10R1.177 CSCCCOCC1CC1 34a_100000690336_100000742324 [0,0,0,1,0,0|1,0,0]=2 9505 B10R1.177 CSCCCOCC1CC1 7a_100000690336_100000742324 [0,0,0,1,0,0|1,0,0]=2 9506 B10R1.177 CSCCCOCC1CO1 34a_100000690336_102125554688 [0,0,0,1,0,0|2,0,0]=3 9507 B10R1.177 CSCCCOCC1CO1 7a_100000690336_102125554688 [0,0,0,1,0,0|2,0,0]=3 9508 B10R1.177 CSCCCOCC1CS1 7a_100000690336_100000031435 [0,0,0,1,0,0|2,0,0]=3 9509 B10R1.177 CSCCCOC[C@@H]1CO1 7a_100000690336_100000745022 [0,0,0,1,0,0|2,0,0]=3 9510 B10R1.177 CSCCNCCC1CC1 2230a_100020590264_100000694398 [0,0,0,1,0,0|2,0,0]=3 9511 B10R1.177 CSCCNCCC1CC1 34a_100000764129_100000212216 [0,0,0,1,0,0|2,0,0]=3 9512 B10R1.177 CSCCNCCC1CO1 2230a_100020590264_100000732470 [0,0,0,1,0,0|3,0,0]=4 9513 B10R1.177 CSCCOCCC1CC1 34a_100000230434_100000694398 [0,0,0,1,0,0|1,0,0]=2 9514 B10R1.177 CSCCOCCC1CC1 34a_100000754188_100000212216 [0,0,0,1,0,0|1,0,0]=2 9515 B10R1.177 CSCCOCCC1CC1 7a_100000230434_100000764125 [0,0,0,1,0,0|1,0,0]=2 9516 B10R1.177 CSCCOCCC1CC1 7a_100000754188_100000212216 [0,0,0,1,0,0|1,0,0]=2 9517 B10R1.177 CSCCOCCC1CO1 34a_100000230434_100000732470 [0,0,0,1,0,0|2,0,0]=3 9518 B10R1.177 CSCCOCCC1CO1 7a_100000230434_100000732470 [0,0,0,1,0,0|2,0,0]=3 9519 B10R1.177 CSCCOCC[C@@H]1CO1 34a_100009820653_100000212216 [0,0,0,1,0,0|2,0,0]=3 9520 B10R1.177 CSCCSCCC1CC1 62a_100000212216_100000764125 [0,0,0,1,0,0|1,1,0]=3 9521 B10R1.177 CSCCSCCC1CC1 62a_100000764125_100000751147 [0,0,0,1,0,0|1,1,0]=3 9522 B10R1.177 CSCCSCCC1CO1 62a_100000212216_100000732470 [0,0,0,1,0,0|2,1,0]=4 9523 B10R1.177 CSCCSCCC1CO1 62a_100000732470_100000751147 [0,0,0,1,0,0|2,1,0]=4 9524 B10R1.177 ClCC#CCOCC1CC1 34a_200000047223_100000742324 [0,0,0,1,0,0|1,0,2]=4 9525 B10R1.177 ClCCCCCOC1CC1 34a_100000746330_100000211595 [0,0,0,1,0,0|3,0,0]=4 9526 B10R1.177 ClCCCCOCC1CC1 34a_100000210776_100000742324 [0,0,0,1,0,0|1,0,0]=2 9527 B10R1.177 ClCCCCOCC1CC1 7a_100000210776_100000742324 [0,0,0,1,0,0|1,0,0]=2 9528 B10R1.177 ClCCCCOCC1CO1 34a_100000210776_102125554688 [0,0,0,1,0,0|2,0,0]=3 9529 B10R1.177 ClCCCCOCC1CO1 7a_100000210776_102125554688 [0,0,0,1,0,0|2,0,0]=3 9530 B10R1.177 ClCCCCOCC1CS1 7a_100000210776_100000031435 [0,0,0,1,0,0|2,0,0]=3 9531 B10R1.177 ClCCCCOC[C@@H]1CO1 7a_100000210776_100000745022 [0,0,0,1,0,0|2,0,0]=3 9532 B10R1.177 ClCCCOCCC1CC1 34a_100000230001_100000694398 [0,0,0,1,0,0|1,0,0]=2 9533 B10R1.177 ClCCCOCCC1CO1 34a_100000230001_100000732470 [0,0,0,1,0,0|2,0,0]=3 9534 B10R1.177 FCCCCCNC1CC1 34a_100000212008_100000729378 [0,0,0,1,0,0|3,0,0]=4 9535 B10R1.177 FCCCCCSC1CC1 62a_100000729378_100000211595 [0,0,0,1,0,0|3,0,0]=4 9536 B10R1.177 FCCCCNCC1CC1 2230a_100000735609_100000729493 [0,0,0,1,0,0|2,0,0]=3 9537 B10R1.177 FCCCCNCC1CC1 34a_100000735609_100000729493 [0,0,0,1,0,0|2,0,0]=3 9538 B10R1.177 FCCCCOCC1CC1 34a_100000211283_100000729493 [0,0,0,1,0,0|1,0,0]=2 9539 B10R1.177 FCCCCOCC1CC1 34a_100011995726_100000742324 [0,0,0,1,0,0|1,0,0]=2 9540 B10R1.177 FCCCCOCC1CC1 7a_100011995726_100000742324 [0,0,0,1,0,0|1,0,0]=2 9541 B10R1.177 FCCCCOCC1CO1 34a_100011995726_102125554688 [0,0,0,1,0,0|2,0,0]=3 9542 B10R1.177 FCCCCOCC1CO1 7a_100011995726_102125554688 [0,0,0,1,0,0|2,0,0]=3 9543 B10R1.177 FCCCCOCC1CS1 7a_100011995726_100000031435 [0,0,0,1,0,0|2,0,0]=3 9544 B10R1.177 FCCCCOC[C@@H]1CO1 34a_100000757423_100000729493 [0,0,0,1,0,0|2,0,0]=3 9545 B10R1.177 FCCCCOC[C@@H]1CO1 7a_100011995726_100000745022 [0,0,0,1,0,0|2,0,0]=3 9546 B10R1.177 FCCCCSCC1CC1 62a_100000729493_100000742324 [0,0,0,1,0,0|1,1,0]=3 9547 B10R1.177 FCCCCSCC1CC1 62a_100000756562_100000729493 [0,0,0,1,0,0|1,1,0]=3 9548 B10R1.177 FCCCCSCC1CO1 62a_100000729493_102125554688 [0,0,0,1,0,0|2,1,0]=4 9549 B10R1.177 FCCCCSCC1CO1 62a_102125554688_100000729493 [0,0,0,1,0,0|2,1,0]=4 9550 B10R1.177 FCCCCSCC1CS1 62a_100000031435_100000729493 [0,0,0,1,0,0|2,1,0]=4 9551 B10R1.177 FCCCCSCC1CS1 62a_100000729493_100000031435 [0,0,0,1,0,0|2,1,0]=4 9552 B10R1.177 FCCCCSC[C@@H]1CO1 62a_100000729493_100000745022 [0,0,0,1,0,0|2,1,0]=4 9553 B10R1.177 FCCCCSC[C@@H]1CO1 62a_100000745022_100000729493 [0,0,0,1,0,0|2,1,0]=4 9554 B10R1.177 FCCCNCCC1CC1 2230a_100015189416_100000694398 [0,0,0,1,0,0|2,0,0]=3 9555 B10R1.177 FCCCNCCC1CC1 34a_100000764129_100011934791 [0,0,0,1,0,0|2,0,0]=3 9556 B10R1.177 FCCCNCCC1CC1 34a_100015189416_100000694398 [0,0,0,1,0,0|2,0,0]=3 9557 B10R1.177 FCCCNCCC1CO1 2230a_100015189416_100000732470 [0,0,0,1,0,0|3,0,0]=4 9558 B10R1.177 FCCCNCCC1CO1 34a_100015189416_100000732470 [0,0,0,1,0,0|3,0,0]=4 9559 B10R1.177 FCCCOCCC1CC1 34a_100000754188_100011934791 [0,0,0,1,0,0|1,0,0]=2 9560 B10R1.177 FCCCOCCC1CC1 34a_100000759539_100000694398 [0,0,0,1,0,0|1,0,0]=2 9561 B10R1.177 FCCCOCCC1CC1 7a_100000754188_100011934791 [0,0,0,1,0,0|1,0,0]=2 9562 B10R1.177 FCCCOCCC1CO1 34a_100000759539_100000732470 [0,0,0,1,0,0|2,0,0]=3 9563 B10R1.177 FCCCOCC[C@@H]1CO1 34a_100009820653_100011934791 [0,0,0,1,0,0|2,0,0]=3 9564 B10R1.177 FCCCSCCC1CC1 62a_100000764125_100011934791 [0,0,0,1,0,0|1,1,0]=3 9565 B10R1.177 FCCCSCCC1CC1 62a_100011934791_100000764125 [0,0,0,1,0,0|1,1,0]=3 9566 B10R1.177 FCCCSCCC1CO1 62a_100000732470_100011934791 [0,0,0,1,0,0|2,1,0]=4 9567 B10R1.177 FCCCSCCC1CO1 62a_100011934791_100000732470 [0,0,0,1,0,0|2,1,0]=4 9568 B10R1.177 ICCCCCOC1CC1 34a_200012148887_100000211595 [0,0,0,1,0,0|3,0,0]=4 9569 B10R1.177 ICCCCOCC1CC1 34a_200012148704_100000742324 [0,0,0,1,0,0|1,0,0]=2 9570 B10R1.177 ICCCCOCC1CO1 34a_200012148704_102125554688 [0,0,0,1,0,0|2,0,0]=3 9571 B10R1.177 N#CCCCNCC1CC1 2230a_100000735609_100000687738 [0,0,0,1,0,0|2,0,1]=4 9572 B10R1.177 N#CCCCSCC1CC1 62a_100000687738_100000742324 [0,0,0,1,0,0|1,1,1]=4 9573 B10R1.177 N#CCCCSCC1CC1 62a_100000756562_100000687738 [0,0,0,1,0,0|1,1,1]=4 9574 B10R1.177 N#CCCOCCC1CC1 7a_100000754188_100000184422 [0,0,0,1,0,0|1,0,1]=3 9575 B10R1.177 N#CCCSCCC1CC1 62a_100000764125_100011215226 [0,0,0,1,0,0|1,1,1]=4 9576 B10R1.177 N#CCCSCCC1CC1 62a_100011215226_100000764125 [0,0,0,1,0,0|1,1,1]=4 9577 B10R1.177 NCCCCCOC1CC1 34a_100000762737_100000211595 [0,0,0,1,0,0|3,0,0]=4 9578 B10R1.177 NCCCCOCC1CC1 34a_100000750430_100000742324 [0,0,0,1,0,0|1,0,0]=2 9579 B10R1.177 NCCCCOCC1CO1 34a_100000750430_102125554688 [0,0,0,1,0,0|2,0,0]=3 9580 B10R1.177 NCCCOCCC1CC1 34a_100000182051_100000694398 [0,0,0,1,0,0|1,0,0]=2 9581 B10R1.177 NCCCOCCC1CO1 34a_100000182051_100000732470 [0,0,0,1,0,0|2,0,0]=3 9582 B10R1.177 NOCCOCCC1CC1 34a_100000700252_100000694398 [0,0,0,1,0,0|2,0,0]=3 9583 B10R1.177 NOCCOCCC1CO1 34a_100000700252_100000732470 [0,0,0,1,0,0|3,0,0]=4 9584 B10R1.177 O=CCCCNCC1CC1 2230a_100000735609_200011292268 [0,0,0,1,0,0|2,0,1]=4 9585 B10R1.177 O=CCCCSCC1CC1 62a_100000756562_200011292268 [0,0,0,1,0,0|1,1,1]=4 9586 B10R1.177 O=CCCCSCC1CC1 62a_200011292268_100000742324 [0,0,0,1,0,0|1,1,1]=4 9587 B10R1.177 OCC#CCOCC1CC1 34a_100000211283_200000047223 [0,0,0,1,0,0|1,0,2]=4 9588 B10R1.177 OCCCCCNC1CC1 34a_100000212008_100000746330 [0,0,0,1,0,0|3,0,0]=4 9589 B10R1.177 OCCCCCNC1CC1 34a_100000762737_100000211595 [0,0,0,1,0,0|3,0,0]=4 9590 B10R1.177 OCCCCCSC1CC1 62a_100000746330_100000211595 [0,0,0,1,0,0|3,0,0]=4 9591 B10R1.177 OCCCCNCC1CC1 2230a_100000735609_100000210776 [0,0,0,1,0,0|2,0,0]=3 9592 B10R1.177 OCCCCNCC1CC1 2230a_100000750430_100000742324 [0,0,0,1,0,0|2,0,0]=3 9593 B10R1.177 OCCCCNCC1CC1 269862a_100000750430_100000741477 [0,0,0,1,0,0|2,0,0]=3 9594 B10R1.177 OCCCCNCC1CC1 34a_100000735609_100011216708 [0,0,0,1,0,0|2,0,0]=3 9595 B10R1.177 OCCCCNCC1CC1 34a_100000750430_100000742324 [0,0,0,1,0,0|2,0,0]=3 9596 B10R1.177 OCCCCNCC1CO1 2230a_100000750430_100011216344 [0,0,0,1,0,0|3,0,0]=4 9597 B10R1.177 OCCCCNCC1CO1 34a_100000750430_102125554688 [0,0,0,1,0,0|3,0,0]=4 9598 B10R1.177 OCCCCOCC1CC1 34a_100000211283_100011216708 [0,0,0,1,0,0|1,0,0]=2 9599 B10R1.177 OCCCCOC[C@@H]1CO1 34a_100000757423_100011216708 [0,0,0,1,0,0|2,0,0]=3 9600 B10R1.177 OCCCCSCC1CC1 62a_100000210776_100000742324 [0,0,0,1,0,0|1,1,0]=3 9601 B10R1.177 OCCCCSCC1CC1 62a_100000756562_100000210776 [0,0,0,1,0,0|1,1,0]=3 9602 B10R1.177 OCCCCSCC1CO1 62a_100000210776_102125554688 [0,0,0,1,0,0|2,1,0]=4 9603 B10R1.177 OCCCCSCC1CO1 62a_102125554688_100000210776 [0,0,0,1,0,0|2,1,0]=4 9604 B10R1.177 OCCCCSCC1CS1 62a_100000031435_100000210776 [0,0,0,1,0,0|2,1,0]=4 9605 B10R1.177 OCCCCSCC1CS1 62a_100000210776_100000031435 [0,0,0,1,0,0|2,1,0]=4 9606 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000210776_100000745022 [0,0,0,1,0,0|2,1,0]=4 9607 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000745022_100000210776 [0,0,0,1,0,0|2,1,0]=4 9608 B10R1.177 OCCCNCCC1CC1 34a_100000764129_100000230001 [0,0,0,1,0,0|2,0,0]=3 9609 B10R1.177 OCCCOCCC1CC1 34a_100000754188_100000230001 [0,0,0,1,0,0|1,0,0]=2 9610 B10R1.177 OCCCOCCC1CC1 7a_100000754188_100011215043 [0,0,0,1,0,0|1,0,0]=2 9611 B10R1.177 OCCCOCC[C@@H]1CO1 34a_100009820653_100000230001 [0,0,0,1,0,0|2,0,0]=3 9612 B10R1.177 OCCCSCCC1CC1 62a_100000764125_100011215043 [0,0,0,1,0,0|1,1,0]=3 9613 B10R1.177 OCCCSCCC1CC1 62a_100011215043_100000764125 [0,0,0,1,0,0|1,1,0]=3 9614 B10R1.177 OCCCSCCC1CO1 62a_100000732470_100011215043 [0,0,0,1,0,0|2,1,0]=4 9615 B10R1.177 OCCCSCCC1CO1 62a_100011215043_100000732470 [0,0,0,1,0,0|2,1,0]=4 9616 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [2,0,0,0,0,0|0,0,2]=4 9617 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [2,0,0,0,0,0|0,0,2]=4 9618 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [2,0,0,0,0,0|0,0,2]=4 9619 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [2,0,0,0,0,0|0,0,2]=4 9620 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [2,0,0,0,0,0|0,0,2]=4 9621 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [2,0,0,0,0,0|0,0,2]=4 9622 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [2,0,0,0,0,0|0,0,2]=4 9623 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [2,0,0,0,0,0|0,0,2]=4 9624 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [2,0,0,0,0,0|0,0,2]=4 9625 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [2,0,0,0,0,0|0,0,2]=4 9626 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [2,0,0,0,0,0|0,0,2]=4 9627 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [2,0,0,0,0,0|0,0,2]=4 9628 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [2,0,0,0,0,0|0,0,2]=4 9629 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [2,0,0,0,0,0|0,0,2]=4 9630 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [2,0,0,0,0,0|0,0,2]=4 9631 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [2,0,0,0,0,0|0,0,2]=4 9632 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [2,0,0,0,0,0|0,0,2]=4 9633 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [2,0,0,0,0,0|0,0,2]=4 9634 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [2,0,0,0,0,0|0,0,2]=4 9635 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [2,0,0,0,0,0|0,0,2]=4 9636 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [2,0,0,0,0,0|0,0,2]=4 9637 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [2,0,0,0,0,0|0,0,2]=4 9638 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [2,0,0,0,0,0|0,0,2]=4 9639 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [2,0,0,0,0,0|0,0,2]=4 9640 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [2,0,0,0,0,0|0,0,2]=4 9641 B7R0.1 CCC#CCOCC 34a_100000032950_100000210202 [2,0,0,0,0,0|0,0,2]=4 9642 B7R0.1 CCC#CCOCC 34a_100121572206_100009813939 [2,0,0,0,0,0|0,0,2]=4 9643 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [2,0,0,0,0,0|1,0,0]=3 9644 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [2,0,0,0,0,0|1,0,0]=3 9645 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [2,0,0,0,0,0|1,0,0]=3 9646 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [2,0,0,0,0,0|1,0,0]=3 9647 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [2,0,0,0,0,0|1,0,0]=3 9648 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [2,0,0,0,0,0|1,0,0]=3 9649 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [2,0,0,0,0,0|1,0,0]=3 9650 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [2,0,0,0,0,0|1,0,0]=3 9651 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [2,0,0,0,0,0|1,0,0]=3 9652 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [2,0,0,0,0,0|1,0,0]=3 9653 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [2,0,0,0,0,0|1,0,0]=3 9654 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [2,0,0,0,0,0|1,0,0]=3 9655 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [2,0,0,0,0,0|1,0,0]=3 9656 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [2,0,0,0,0,0|1,0,0]=3 9657 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [2,0,0,0,0,0|1,0,0]=3 9658 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [2,0,0,0,0,0|1,0,0]=3 9659 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|0,0,0]=2 9660 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|0,0,0]=2 9661 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|0,0,0]=2 9662 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [2,0,0,0,0,0|1,0,0]=3 9663 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [2,0,0,0,0,0|1,0,0]=3 9664 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [2,0,0,0,0,0|0,1,0]=3 9665 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [2,0,0,0,0,0|0,1,0]=3 9666 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [2,0,0,0,0,0|1,1,0]=4 9667 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [2,0,0,0,0,0|1,1,0]=4 9668 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [2,0,0,0,0,0|1,0,0]=3 9669 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [2,0,0,0,0,0|1,0,0]=3 9670 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [2,0,0,0,0,0|2,0,0]=4 9671 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [2,0,0,0,0,0|2,0,0]=4 9672 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [2,0,0,0,0,0|2,0,0]=4 9673 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [2,0,0,0,0,0|2,0,0]=4 9674 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [2,0,0,0,0,0|2,0,0]=4 9675 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [2,0,0,0,0,0|2,0,0]=4 9676 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [2,0,0,0,0,0|2,0,0]=4 9677 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [2,0,0,0,0,0|2,0,0]=4 9678 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [2,0,0,0,0,0|2,0,0]=4 9679 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [2,0,0,0,0,0|1,0,1]=4 9680 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [2,0,0,0,0,0|1,0,1]=4 9681 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [2,0,0,0,0,0|1,0,1]=4 9682 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [2,0,0,0,0,0|1,0,0]=3 9683 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [2,0,0,0,0,0|0,0,0]=2 9684 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [2,0,0,0,0,0|0,0,0]=2 9685 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [2,0,0,0,0,0|0,0,0]=2 9686 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [2,0,0,0,0,0|1,0,0]=3 9687 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [2,0,0,0,0,0|1,0,0]=3 9688 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [2,0,0,0,0,0|1,0,0]=3 9689 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [2,0,0,0,0,0|1,0,0]=3 9690 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [2,0,0,0,0,0|1,0,0]=3 9691 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [2,0,0,0,0,0|1,0,0]=3 9692 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [2,0,0,0,0,0|1,0,0]=3 9693 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [2,0,0,0,0,0|1,0,0]=3 9694 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [2,0,0,0,0,0|1,0,0]=3 9695 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [2,0,0,0,0,0|1,0,0]=3 9696 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [2,0,0,0,0,0|1,0,0]=3 9697 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [2,0,0,0,0,0|1,0,0]=3 9698 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [2,0,0,0,0,0|1,0,0]=3 9699 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [2,0,0,0,0,0|0,1,0]=3 9700 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [2,0,0,0,0,0|0,1,0]=3 9701 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [2,0,0,0,0,0|1,1,0]=4 9702 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [2,0,0,0,0,0|1,1,0]=4 9703 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [2,0,0,0,0,0|1,1,0]=4 9704 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [2,0,0,0,0,0|1,1,0]=4 9705 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [2,0,0,0,0,0|1,1,0]=4 9706 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [2,0,0,0,0,0|1,1,0]=4 9707 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [2,0,0,0,0,0|1,1,0]=4 9708 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [2,0,0,0,0,0|1,1,0]=4 9709 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 9710 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 9711 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [2,0,0,0,0,0|2,0,0]=4 9712 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [2,0,0,0,0,0|2,0,0]=4 9713 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [2,0,0,0,0,0|1,0,0]=3 9714 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [2,0,0,0,0,0|1,0,0]=3 9715 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [2,0,0,0,0,0|1,0,0]=3 9716 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [2,0,0,0,0,0|1,0,0]=3 9717 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [2,0,0,0,0,0|1,0,0]=3 9718 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [2,0,0,0,0,0|1,0,0]=3 9719 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [2,0,0,0,0,0|1,0,0]=3 9720 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [2,0,0,0,0,0|1,0,0]=3 9721 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [2,0,0,0,0,0|1,0,0]=3 9722 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [2,0,0,0,0,0|1,0,0]=3 9723 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [2,0,0,0,0,0|1,0,0]=3 9724 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [2,0,0,0,0,0|1,0,0]=3 9725 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [2,0,0,0,0,0|1,0,0]=3 9726 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [2,0,0,0,0,0|1,0,0]=3 9727 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [2,0,0,0,0,0|1,0,0]=3 9728 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [2,0,0,0,0,0|1,0,0]=3 9729 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [2,0,0,0,0,0|1,0,0]=3 9730 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [2,0,0,0,0,0|1,0,0]=3 9731 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [2,0,0,0,0,0|2,0,0]=4 9732 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [2,0,0,0,0,0|1,0,0]=3 9733 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [2,0,0,0,0,0|1,0,0]=3 9734 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [2,0,0,0,0,0|1,0,0]=3 9735 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [2,0,0,0,0,0|1,0,0]=3 9736 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [2,0,0,0,0,0|1,0,0]=3 9737 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [2,0,0,0,0,0|1,0,0]=3 9738 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [2,0,0,0,0,0|1,0,0]=3 9739 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [2,0,0,0,0,0|1,0,0]=3 9740 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [2,0,0,0,0,0|1,0,0]=3 9741 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [2,0,0,0,0,0|1,1,0]=4 9742 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [2,0,0,0,0,0|1,1,0]=4 9743 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [2,0,0,0,0,0|1,1,0]=4 9744 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [2,0,0,0,0,0|1,1,0]=4 9745 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [2,0,0,0,0,0|1,1,0]=4 9746 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [2,0,0,0,0,0|1,1,0]=4 9747 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [2,0,0,0,0,0|1,1,0]=4 9748 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [2,0,0,0,0,0|1,1,0]=4 9749 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [2,0,0,0,0,0|1,1,0]=4 9750 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [2,0,0,0,0,0|1,1,0]=4 9751 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [2,0,0,0,0,0|1,1,0]=4 9752 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [2,0,0,0,0,0|1,1,0]=4 9753 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [2,0,0,0,0,0|1,1,0]=4 9754 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [2,0,0,0,0,0|1,1,0]=4 9755 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [2,0,0,0,0,0|1,0,0]=3 9756 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [2,0,0,0,0,0|1,0,0]=3 9757 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [2,0,0,0,0,0|2,0,0]=4 9758 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [2,0,0,0,0,0|2,0,0]=4 9759 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [2,0,0,0,0,0|2,0,0]=4 9760 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [2,0,0,0,0,0|2,0,0]=4 9761 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [2,0,0,0,0,0|2,0,0]=4 9762 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [2,0,0,0,0,0|2,0,0]=4 9763 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [2,0,0,0,0,0|2,0,0]=4 9764 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [2,0,0,0,0,0|1,0,0]=3 9765 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [2,0,0,0,0,0|1,0,0]=3 9766 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [2,0,0,0,0,0|1,0,0]=3 9767 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [2,0,0,0,0,0|1,1,0]=4 9768 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [2,0,0,0,0,0|1,1,0]=4 9769 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [2,0,0,0,0,0|1,0,0]=3 9770 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [2,0,0,0,0,0|1,0,0]=3 9771 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [2,0,0,0,0,0|1,0,0]=3 9772 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [2,0,0,0,0,0|1,0,0]=3 9773 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [2,0,0,0,0,0|1,0,0]=3 9774 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [2,0,0,0,0,0|1,0,0]=3 9775 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [2,0,0,0,0,0|1,0,0]=3 9776 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [2,0,0,0,0,0|1,0,0]=3 9777 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [2,0,0,0,0,0|1,0,0]=3 9778 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [2,0,0,0,0,0|1,0,0]=3 9779 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [2,0,0,0,0,0|1,0,0]=3 9780 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [2,0,0,0,0,0|1,0,0]=3 9781 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [2,0,0,0,0,0|1,0,0]=3 9782 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [2,0,0,0,0,0|1,0,0]=3 9783 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [2,0,0,0,0,0|1,0,0]=3 9784 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [2,0,0,0,0,0|1,0,0]=3 9785 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [2,0,0,0,0,0|1,0,0]=3 9786 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [2,0,0,0,0,0|1,0,0]=3 9787 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [2,0,0,0,0,0|1,0,0]=3 9788 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [2,0,0,0,0,0|1,0,0]=3 9789 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [2,0,0,0,0,0|1,0,0]=3 9790 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [2,0,0,0,0,0|1,0,0]=3 9791 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [2,0,0,0,0,0|1,0,0]=3 9792 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [2,0,0,0,0,0|1,0,0]=3 9793 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [2,0,0,0,0,0|1,0,0]=3 9794 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [2,0,0,0,0,0|1,0,0]=3 9795 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [2,0,0,0,0,0|1,0,0]=3 9796 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [2,0,0,0,0,0|1,0,0]=3 9797 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [2,0,0,0,0,0|1,0,0]=3 9798 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [2,0,0,0,0,0|1,0,0]=3 9799 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [2,0,0,0,0,0|2,0,0]=4 9800 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [2,0,0,0,0,0|1,0,0]=3 9801 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [2,0,0,0,0,0|1,0,0]=3 9802 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [2,0,0,0,0,0|1,0,0]=3 9803 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [2,0,0,0,0,0|2,0,0]=4 9804 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [2,0,0,0,0,0|2,0,0]=4 9805 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [2,0,0,0,0,0|1,0,0]=3 9806 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [2,0,0,0,0,0|1,0,0]=3 9807 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [2,0,0,0,0,0|1,0,0]=3 9808 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [2,0,0,0,0,0|1,0,0]=3 9809 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [2,0,0,0,0,0|1,0,0]=3 9810 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [2,0,0,0,0,0|2,0,0]=4 9811 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [2,0,0,0,0,0|2,0,0]=4 9812 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [2,0,0,0,0,0|2,0,0]=4 9813 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [2,0,0,0,0,0|2,0,0]=4 9814 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [2,0,0,0,0,0|2,0,0]=4 9815 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [2,0,0,0,0,0|2,0,0]=4 9816 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [2,0,0,0,0,0|2,0,0]=4 9817 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [2,0,0,0,0,0|2,0,0]=4 9818 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [2,0,0,0,0,0|2,0,0]=4 9819 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [2,0,0,0,0,0|2,0,0]=4 9820 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [2,0,0,0,0,0|1,1,0]=4 9821 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [2,0,0,0,0,0|1,1,0]=4 9822 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [2,0,0,0,0,0|1,1,0]=4 9823 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [2,0,0,0,0,0|1,1,0]=4 9824 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [2,0,0,0,0,0|1,1,0]=4 9825 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [2,0,0,0,0,0|1,1,0]=4 9826 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [2,0,0,0,0,0|1,1,0]=4 9827 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [2,0,0,0,0,0|1,1,0]=4 9828 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [2,0,0,0,0,0|1,1,0]=4 9829 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [2,0,0,0,0,0|1,1,0]=4 9830 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [2,0,0,0,0,0|2,0,0]=4 9831 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [2,0,0,0,0,0|2,0,0]=4 9832 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [2,0,0,0,0,0|1,1,0]=4 9833 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [2,0,0,0,0,0|1,1,0]=4 9834 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [2,0,0,0,0,0|2,0,0]=4 9835 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [2,0,0,0,0,0|2,0,0]=4 9836 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [2,0,0,0,0,0|2,0,0]=4 9837 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 9838 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [2,0,0,0,0,0|2,0,0]=4 9839 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 9840 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [2,0,0,0,0,0|2,0,0]=4 9841 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [2,0,0,0,0,0|2,0,0]=4 9842 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [2,0,0,0,0,0|2,0,0]=4 9843 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [2,0,0,0,0,0|2,0,0]=4 9844 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [2,0,0,0,0,0|2,0,0]=4 9845 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [2,0,0,0,0,0|2,0,0]=4 9846 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [2,0,0,0,0,0|2,0,0]=4 9847 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [2,0,0,0,0,0|2,0,0]=4 9848 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [2,0,0,0,0,0|2,0,0]=4 9849 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [2,0,0,0,0,0|2,0,0]=4 9850 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [2,0,0,0,0,0|2,0,0]=4 9851 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [2,0,0,0,0,0|2,0,0]=4 9852 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 9853 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 9854 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 9855 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 9856 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [2,0,0,0,0,0|2,0,0]=4 9857 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 9858 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 9859 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 9860 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [2,0,0,0,0,0|2,0,0]=4 9861 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [2,0,0,0,0,0|2,0,0]=4 9862 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [2,0,0,0,0,0|2,0,0]=4 9863 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [2,0,0,0,0,0|2,0,0]=4 9864 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [2,0,0,0,0,0|2,0,0]=4 9865 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [2,0,0,0,0,0|2,0,0]=4 9866 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [2,0,0,0,0,0|2,0,0]=4 9867 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [2,0,0,0,0,0|2,0,0]=4 9868 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [2,0,0,0,0,0|2,0,0]=4 9869 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [2,0,0,0,0,0|2,0,0]=4 9870 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [2,0,0,0,0,0|2,0,0]=4 9871 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [2,0,0,0,0,0|2,0,0]=4 9872 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [2,0,0,0,0,0|2,0,0]=4 9873 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [2,0,0,0,0,0|2,0,0]=4 9874 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [2,0,0,0,0,0|2,0,0]=4 9875 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [2,0,0,0,0,0|2,0,0]=4 9876 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [2,0,0,0,0,0|2,0,0]=4 9877 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [2,0,0,0,0,0|2,0,0]=4 9878 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [2,0,0,0,0,0|2,0,0]=4 9879 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [2,0,0,0,0,0|2,0,0]=4 9880 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [2,0,0,0,0,0|2,0,0]=4 9881 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [2,0,0,0,0,0|2,0,0]=4 9882 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [2,0,0,0,0,0|2,0,0]=4 9883 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [2,0,0,0,0,0|2,0,0]=4 9884 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [2,0,0,0,0,0|2,0,0]=4 9885 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [2,0,0,0,0,0|2,0,0]=4 9886 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [2,0,0,0,0,0|2,0,0]=4 9887 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [2,0,0,0,0,0|2,0,0]=4 9888 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [2,0,0,0,0,0|2,0,0]=4 9889 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [2,0,0,0,0,0|2,0,0]=4 9890 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [2,0,0,0,0,0|2,0,0]=4 9891 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [2,0,0,0,0,0|2,0,0]=4 9892 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 9893 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [2,0,0,0,0,0|2,0,0]=4 9894 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [2,0,0,0,0,0|2,0,0]=4 9895 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [2,0,0,0,0,0|2,0,0]=4 9896 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [2,0,0,0,0,0|2,0,0]=4 9897 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [2,0,0,0,0,0|2,0,0]=4 9898 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [2,0,0,0,0,0|2,0,0]=4 9899 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [2,0,0,0,0,0|2,0,0]=4 9900 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [2,0,0,0,0,0|2,0,0]=4 9901 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [2,0,0,0,0,0|2,0,0]=4 9902 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [2,0,0,0,0,0|2,0,0]=4 9903 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [2,0,0,0,0,0|2,0,0]=4 9904 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [2,0,0,0,0,0|2,0,0]=4 9905 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [2,0,0,0,0,0|2,0,0]=4 9906 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [2,0,0,0,0,0|2,0,0]=4 9907 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [2,0,0,0,0,0|2,0,0]=4 9908 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [2,0,0,0,0,0|2,0,0]=4 9909 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [2,0,0,0,0,0|2,0,0]=4 9910 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [2,0,0,0,0,0|2,0,0]=4 9911 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [2,0,0,0,0,0|2,0,0]=4 9912 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [2,0,0,0,0,0|2,0,0]=4 9913 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [2,0,0,0,0,0|2,0,0]=4 9914 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [2,0,0,0,0,0|2,0,0]=4 9915 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [2,0,0,0,0,0|2,0,0]=4 9916 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [2,0,0,0,0,0|2,0,0]=4 9917 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [2,0,0,0,0,0|2,0,0]=4 9918 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [2,0,0,0,0,0|2,0,0]=4 9919 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [2,0,0,0,0,0|2,0,0]=4 9920 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [2,0,0,0,0,0|2,0,0]=4 9921 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [2,0,0,0,0,0|2,0,0]=4 9922 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [2,0,0,0,0,0|2,0,0]=4 9923 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [2,0,0,0,0,0|2,0,0]=4 9924 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [2,0,0,0,0,0|2,0,0]=4 9925 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [2,0,0,0,0,0|2,0,0]=4 9926 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [2,0,0,0,0,0|2,0,0]=4 9927 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [2,0,0,0,0,0|2,0,0]=4 9928 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [2,0,0,0,0,0|2,0,0]=4 9929 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [2,0,0,0,0,0|2,0,0]=4 9930 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 9931 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 9932 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [2,0,0,0,0,0|2,0,0]=4 9933 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [2,0,0,0,0,0|2,0,0]=4 9934 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 9935 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 9936 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 9937 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 9938 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 9939 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 9940 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 9941 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [2,0,0,0,0,0|2,0,0]=4 9942 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [2,0,0,0,0,0|2,0,0]=4 9943 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [2,0,0,0,0,0|2,0,0]=4 9944 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [2,0,0,0,0,0|2,0,0]=4 9945 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [2,0,0,0,0,0|2,0,0]=4 9946 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [2,0,0,0,0,0|2,0,0]=4 9947 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [2,0,0,0,0,0|2,0,0]=4 9948 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [2,0,0,0,0,0|2,0,0]=4 9949 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [2,0,0,0,0,0|2,0,0]=4 9950 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [2,0,0,0,0,0|2,0,0]=4 9951 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [2,0,0,0,0,0|2,0,0]=4 9952 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 9953 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [2,0,0,0,0,0|2,0,0]=4 9954 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [2,0,0,0,0,0|2,0,0]=4 9955 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [2,0,0,0,0,0|2,0,0]=4 9956 B9R0.2 C#CCCCOCC(C)Br 34a_100012180447_100000695029 [1,1,0,0,0,0|0,0,2]=4 9957 B9R0.2 C#CCCCOCC(C)C 34a_100000210257_100000695029 [1,1,0,0,0,0|0,0,2]=4 9958 B9R0.2 C#CCCCOCC(C)C 34a_100000215630_100000210624 [1,1,0,0,0,0|0,0,2]=4 9959 B9R0.2 C#CCCCOCC(C)C 7a_100000215630_100000210760 [1,1,0,0,0,0|0,0,2]=4 9960 B9R0.2 C#CCCCOCC(C)F 34a_100015925927_100000695029 [1,1,0,0,0,0|0,0,2]=4 9961 B9R0.2 C#CCCCOCC(C)O 34a_100000215630_100011218427 [1,1,0,0,0,0|0,0,2]=4 9962 B9R0.2 C#CCCCOCC(C)O 7a_100000215630_100011218427 [1,1,0,0,0,0|0,0,2]=4 9963 B9R0.2 C#CCCCOC[C@@H](C)Cl 34a_100016084084_100000695029 [1,1,0,0,0,0|0,0,2]=4 9964 B9R0.2 C#CCCCOC[C@@H](C)N 34a_100000737577_100000695029 [1,1,0,0,0,0|0,0,2]=4 9965 B9R0.2 C#CCCCOC[C@@H](C)O 34a_100000215630_100009817552 [1,1,0,0,0,0|0,0,2]=4 9966 B9R0.2 C#CCCCOC[C@@H](C)O 7a_100000215630_100009817552 [1,1,0,0,0,0|0,0,2]=4 9967 B9R0.2 C#CCCOCCC(C)Br 34a_100009893172_100000688953 [1,1,0,0,0,0|0,0,2]=4 9968 B9R0.2 C#CCCOCCC(C)C 34a_100000210254_100000688953 [1,1,0,0,0,0|0,0,2]=4 9969 B9R0.2 C#CCCOCCC(C)C 34a_100011215631_100000210312 [1,1,0,0,0,0|0,0,2]=4 9970 B9R0.2 C#CCCOCCC(C)C 7a_100000210254_100000688953 [1,1,0,0,0,0|0,0,2]=4 9971 B9R0.2 C#CCCOCCC(C)O 34a_100011215631_100012276601 [1,1,0,0,0,0|0,0,2]=4 9972 B9R0.2 C#CCCOCC[C@@H](C)N 34a_100000706166_100000688953 [1,1,0,0,0,0|0,0,2]=4 9973 B9R0.2 C#CCOCCCC(C)C 34a_100000210247_100011214892 [1,1,0,0,0,0|0,0,2]=4 9974 B9R0.2 C#CCOCCCC(C)C 34a_100000210774_100000184674 [1,1,0,0,0,0|0,0,2]=4 9975 B9R0.2 C#CCOCCCC(C)C 7a_100000210774_100000038162 [1,1,0,0,0,0|0,0,2]=4 9976 B9R0.2 C#CCOCCCC(C)O 34a_100000210247_200000718107 [1,1,0,0,0,0|0,0,2]=4 9977 B9R0.2 C/C=C/CCOCC(C)C 34a_100016278192_100000210624 [1,1,0,0,0,0|0,0,2]=4 9978 B9R0.2 C/C=C/CCOCC(C)O 34a_100016278192_100011218427 [1,1,0,0,0,0|0,0,2]=4 9979 B9R0.2 C/C=C/CCOC[C@@H](C)O 34a_100016278192_100009817552 [1,1,0,0,0,0|0,0,2]=4 9980 B9R0.2 C/C=C/COCCC(C)Br 34a_100009893172_100102629194 [1,1,0,0,0,0|0,0,2]=4 9981 B9R0.2 C/C=C/COCCC(C)C 34a_100000210254_100102629194 [1,1,0,0,0,0|0,0,2]=4 9982 B9R0.2 C/C=C/COCCC(C)C 34a_100016270725_100000210312 [1,1,0,0,0,0|0,0,2]=4 9983 B9R0.2 C/C=C/COCCC(C)C 7a_100000210254_100102629194 [1,1,0,0,0,0|0,0,2]=4 9984 B9R0.2 C/C=C/COCCC(C)O 34a_100016270725_100012276601 [1,1,0,0,0,0|0,0,2]=4 9985 B9R0.2 C/C=C/COCC[C@@H](C)N 34a_100000706166_100102629194 [1,1,0,0,0,0|0,0,2]=4 9986 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [1,1,0,0,0,0|0,0,2]=4 9987 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [1,1,0,0,0,0|1,0,1]=4 9988 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [1,1,0,0,0,0|1,0,1]=4 9989 B9R0.2 C=C(C)CCOCCCBr 34a_100011217188_100000730704 [1,1,0,0,0,0|1,0,1]=4 9990 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [1,1,0,0,0,0|0,0,1]=3 9991 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [1,1,0,0,0,0|0,0,1]=3 9992 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [1,1,0,0,0,0|0,0,1]=3 9993 B9R0.2 C=C(C)CCOCCCCl 34a_100000230001_100000730704 [1,1,0,0,0,0|1,0,1]=4 9994 B9R0.2 C=C(C)CCOCCCF 34a_100000759539_100000730704 [1,1,0,0,0,0|1,0,1]=4 9995 B9R0.2 C=C(C)CCOCCCF 34a_100000764851_100011934791 [1,1,0,0,0,0|1,0,1]=4 9996 B9R0.2 C=C(C)CCOCCCN 34a_100000182051_100000730704 [1,1,0,0,0,0|1,0,1]=4 9997 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [1,1,0,0,0,0|1,0,1]=4 9998 B9R0.2 C=C(C)CCOCCOC 34a_100000210237_100000730704 [1,1,0,0,0,0|1,0,1]=4 9999 B9R0.2 C=C(C)CCOCCOC 34a_100000764851_100011201679 [1,1,0,0,0,0|1,0,1]=4 10000 B9R0.2 C=C(C)CCOCCSC 34a_100000230434_100000730704 [1,1,0,0,0,0|1,0,1]=4 10001 B9R0.2 C=C(C)CCOCCSC 34a_100000764851_100000212216 [1,1,0,0,0,0|1,0,1]=4 10002 B9R0.2 C=C(C)CCOCCSC 7a_100000230434_100000730704 [1,1,0,0,0,0|1,0,1]=4 10003 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [1,1,0,0,0,0|0,1,1]=4 10004 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [1,1,0,0,0,0|0,1,1]=4 10005 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [1,1,0,0,0,0|1,0,1]=4 10006 B9R0.2 C=C(C)COCCCCBr 34a_100011216708_100000748629 [1,1,0,0,0,0|1,0,1]=4 10007 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [1,1,0,0,0,0|0,0,1]=3 10008 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [1,1,0,0,0,0|0,0,1]=3 10009 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [1,1,0,0,0,0|0,0,1]=3 10010 B9R0.2 C=C(C)COCCCCCl 34a_100000210776_100000748629 [1,1,0,0,0,0|1,0,1]=4 10011 B9R0.2 C=C(C)COCCCCCl 7a_100000210776_100000748629 [1,1,0,0,0,0|1,0,1]=4 10012 B9R0.2 C=C(C)COCCCCF 34a_100000210245_100000729493 [1,1,0,0,0,0|1,0,1]=4 10013 B9R0.2 C=C(C)COCCCCF 34a_100011995726_100000748629 [1,1,0,0,0,0|1,0,1]=4 10014 B9R0.2 C=C(C)COCCCCF 7a_100011995726_100000748629 [1,1,0,0,0,0|1,0,1]=4 10015 B9R0.2 C=C(C)COCCCCI 34a_200012148704_100000748629 [1,1,0,0,0,0|1,0,1]=4 10016 B9R0.2 C=C(C)COCCCCN 34a_100000750430_100000748629 [1,1,0,0,0,0|1,0,1]=4 10017 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [1,1,0,0,0,0|1,0,1]=4 10018 B9R0.2 C=C(C)COCCCNC 34a_100000213112_100000748629 [1,1,0,0,0,0|1,0,1]=4 10019 B9R0.2 C=C(C)COCCCOC 34a_100000210245_100000740836 [1,1,0,0,0,0|1,0,1]=4 10020 B9R0.2 C=C(C)COCCCOC 34a_100000740835_100000748629 [1,1,0,0,0,0|1,0,1]=4 10021 B9R0.2 C=C(C)COCCCSC 34a_100000690336_100000748629 [1,1,0,0,0,0|1,0,1]=4 10022 B9R0.2 C=C(C)COCCCSC 7a_100000690336_100000748629 [1,1,0,0,0,0|1,0,1]=4 10023 B9R0.2 C=C(C)COCCOCC 34a_100000210136_100000748629 [1,1,0,0,0,0|1,0,1]=4 10024 B9R0.2 C=C(C)COCCOCC 34a_100000210245_100000210147 [1,1,0,0,0,0|1,0,1]=4 10025 B9R0.2 C=C(C)COCCOCC 7a_100000210136_100000748629 [1,1,0,0,0,0|1,0,1]=4 10026 B9R0.2 C=C(C)COCCSCC 34a_100000210245_100000757381 [1,1,0,0,0,0|1,0,1]=4 10027 B9R0.2 C=C(C)COCCSCC 34a_100000212035_100000748629 [1,1,0,0,0,0|1,0,1]=4 10028 B9R0.2 C=C(C)COCCSCC 7a_100000212035_100000748629 [1,1,0,0,0,0|1,0,1]=4 10029 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [1,1,0,0,0,0|0,1,1]=4 10030 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [1,1,0,0,0,0|0,1,1]=4 10031 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [1,1,0,0,0,0|0,0,2]=4 10032 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [1,1,0,0,0,0|0,0,2]=4 10033 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [1,1,0,0,0,0|0,0,2]=4 10034 B9R0.2 C=CCCCOCC(C)Br 34a_100012180447_100000757094 [1,1,0,0,0,0|0,0,2]=4 10035 B9R0.2 C=CCCCOCC(C)C 34a_100000210257_100000757094 [1,1,0,0,0,0|0,0,2]=4 10036 B9R0.2 C=CCCCOCC(C)C 34a_100000758997_100000210624 [1,1,0,0,0,0|0,0,2]=4 10037 B9R0.2 C=CCCCOCC(C)C 7a_100000758997_100000210760 [1,1,0,0,0,0|0,0,2]=4 10038 B9R0.2 C=CCCCOCC(C)F 34a_100015925927_100000757094 [1,1,0,0,0,0|0,0,2]=4 10039 B9R0.2 C=CCCCOCC(C)O 34a_100000758997_100011218427 [1,1,0,0,0,0|0,0,2]=4 10040 B9R0.2 C=CCCCOCC(C)O 7a_100000758997_100011218427 [1,1,0,0,0,0|0,0,2]=4 10041 B9R0.2 C=CCCCOC[C@@H](C)Cl 34a_100016084084_100000757094 [1,1,0,0,0,0|0,0,2]=4 10042 B9R0.2 C=CCCCOC[C@@H](C)N 34a_100000737577_100000757094 [1,1,0,0,0,0|0,0,2]=4 10043 B9R0.2 C=CCCCOC[C@@H](C)O 34a_100000758997_100009817552 [1,1,0,0,0,0|0,0,2]=4 10044 B9R0.2 C=CCCCOC[C@@H](C)O 7a_100000758997_100009817552 [1,1,0,0,0,0|0,0,2]=4 10045 B9R0.2 C=CCCOCCC(C)Br 34a_100009893172_100000754431 [1,1,0,0,0,0|0,0,2]=4 10046 B9R0.2 C=CCCOCCC(C)C 34a_100000210254_100000754431 [1,1,0,0,0,0|0,0,2]=4 10047 B9R0.2 C=CCCOCCC(C)C 34a_100011205117_100000210312 [1,1,0,0,0,0|0,0,2]=4 10048 B9R0.2 C=CCCOCCC(C)C 7a_100000210254_100000754431 [1,1,0,0,0,0|0,0,2]=4 10049 B9R0.2 C=CCCOCCC(C)O 34a_100011205117_100012276601 [1,1,0,0,0,0|0,0,2]=4 10050 B9R0.2 C=CCCOCC[C@@H](C)N 34a_100000706166_100000754431 [1,1,0,0,0,0|0,0,2]=4 10051 B9R0.2 C=CCOCCCC(C)C 34a_100000210774_100015514636 [1,1,0,0,0,0|0,0,2]=4 10052 B9R0.2 C=CCOCCCC(C)C 34a_200000210373_100011214892 [1,1,0,0,0,0|0,0,2]=4 10053 B9R0.2 C=CCOCCCC(C)C 7a_100000210774_100015514636 [1,1,0,0,0,0|0,0,2]=4 10054 B9R0.2 C=CCOCCCC(C)O 34a_200000210373_200000718107 [1,1,0,0,0,0|0,0,2]=4 10055 B9R0.2 CC#CCCOCC(C)C 34a_100000750427_100000210624 [1,1,0,0,0,0|0,0,2]=4 10056 B9R0.2 CC#CCCOCC(C)O 34a_100000750427_100011218427 [1,1,0,0,0,0|0,0,2]=4 10057 B9R0.2 CC#CCCOC[C@@H](C)O 34a_100000750427_100009817552 [1,1,0,0,0,0|0,0,2]=4 10058 B9R0.2 CC#CCOCCC(C)Br 34a_100009893172_100000748600 [1,1,0,0,0,0|0,0,2]=4 10059 B9R0.2 CC#CCOCCC(C)C 34a_100000210254_100000748600 [1,1,0,0,0,0|0,0,2]=4 10060 B9R0.2 CC#CCOCCC(C)C 34a_100000761923_100000210312 [1,1,0,0,0,0|0,0,2]=4 10061 B9R0.2 CC#CCOCCC(C)C 7a_100000210254_100000748600 [1,1,0,0,0,0|0,0,2]=4 10062 B9R0.2 CC#CCOCCC(C)O 34a_100000761923_100012276601 [1,1,0,0,0,0|0,0,2]=4 10063 B9R0.2 CC#CCOCC[C@@H](C)N 34a_100000706166_100000748600 [1,1,0,0,0,0|0,0,2]=4 10064 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,1,0,0,0,0|1,0,1]=4 10065 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,1,0,0,0,0|1,0,1]=4 10066 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,1,0,0,0,0|1,0,1]=4 10067 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [1,1,0,0,0,0|1,0,1]=4 10068 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [1,1,0,0,0,0|1,0,1]=4 10069 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [1,1,0,0,0,0|1,0,1]=4 10070 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [1,1,0,0,0,0|1,0,1]=4 10071 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,1,0,0,0,0|1,0,1]=4 10072 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,1,0,0,0,0|1,0,1]=4 10073 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [1,1,0,0,0,0|1,0,1]=4 10074 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [1,1,0,0,0,0|1,0,1]=4 10075 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,1,0,0,0,0|1,0,1]=4 10076 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,1,0,0,0,0|1,0,1]=4 10077 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [1,1,0,0,0,0|1,0,1]=4 10078 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,1,0,0,0,0|1,0,1]=4 10079 B9R0.2 CC(Br)CCOCCCF 34a_100009893172_100011934791 [1,1,0,0,0,0|1,0,0]=3 10080 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [1,1,0,0,0,0|1,0,0]=3 10081 B9R0.2 CC(Br)COCCCCF 34a_100012180447_100000729493 [1,1,0,0,0,0|1,0,0]=3 10082 B9R0.2 CC(Br)COCCCCO 34a_100012180447_100011216708 [1,1,0,0,0,0|1,0,0]=3 10083 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [1,1,0,0,0,0|1,0,0]=3 10084 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [1,1,0,0,0,0|1,0,0]=3 10085 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [1,1,0,0,0,0|1,0,0]=3 10086 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [1,1,0,0,0,0|1,0,0]=3 10087 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [1,1,0,0,0,0|1,0,0]=3 10088 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [1,1,0,0,0,0|1,0,0]=3 10089 B9R0.2 CC(C)CCCCOCF 34a_100011214890_100015361967 [1,1,0,0,0,0|2,0,0]=4 10090 B9R0.2 CC(C)CCCCOCF 7a_100011214890_100015361967 [1,1,0,0,0,0|2,0,0]=4 10091 B9R0.2 CC(C)CCCCSCF 62a_100011216152_100015361967 [1,1,0,0,0,0|2,0,0]=4 10092 B9R0.2 CC(C)CCCCSCF 62a_100015361967_100011216152 [1,1,0,0,0,0|2,0,0]=4 10093 B9R0.2 CC(C)CCCNCCF 2230a_200000737386_100011217306 [1,1,0,0,0,0|2,0,0]=4 10094 B9R0.2 CC(C)CCCNCCF 34a_100000724931_100011214892 [1,1,0,0,0,0|2,0,0]=4 10095 B9R0.2 CC(C)CCCNCCF 34a_200000737386_100011217306 [1,1,0,0,0,0|2,0,0]=4 10096 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [1,1,0,0,0,0|2,0,0]=4 10097 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [1,1,0,0,0,0|2,0,0]=4 10098 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [1,1,0,0,0,0|2,0,0]=4 10099 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [1,1,0,0,0,0|2,0,0]=4 10100 B9R0.2 CC(C)CCCOCC#N 7a_100000210774_100011215382 [1,1,0,0,0,0|1,0,1]=4 10101 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [1,1,0,0,0,0|1,0,1]=4 10102 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [1,1,0,0,0,0|1,0,1]=4 10103 B9R0.2 CC(C)CCCOCCBr 34a_100000211926_100011214892 [1,1,0,0,0,0|1,0,0]=3 10104 B9R0.2 CC(C)CCCOCCF 34a_100000210774_100011217306 [1,1,0,0,0,0|1,0,0]=3 10105 B9R0.2 CC(C)CCCOCCF 7a_100000210774_100011217306 [1,1,0,0,0,0|1,0,0]=3 10106 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [1,1,0,0,0,0|1,0,0]=3 10107 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [1,1,0,0,0,0|1,0,0]=3 10108 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [1,1,0,0,0,0|1,0,0]=3 10109 B9R0.2 CC(C)CCCSCCF 62a_100011214892_100011217306 [1,1,0,0,0,0|1,1,0]=4 10110 B9R0.2 CC(C)CCCSCCF 62a_100011217306_100011214892 [1,1,0,0,0,0|1,1,0]=4 10111 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [1,1,0,0,0,0|1,1,0]=4 10112 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [1,1,0,0,0,0|1,1,0]=4 10113 B9R0.2 CC(C)CCNCCCF 2230a_100015189416_100000210312 [1,1,0,0,0,0|2,0,0]=4 10114 B9R0.2 CC(C)CCNCCCF 269862a_100015189416_100000185833 [1,1,0,0,0,0|2,0,0]=4 10115 B9R0.2 CC(C)CCNCCCF 34a_100015189416_100000210312 [1,1,0,0,0,0|2,0,0]=4 10116 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [1,1,0,0,0,0|2,0,0]=4 10117 B9R0.2 CC(C)CCOCCC#N 7a_100000210254_100000184422 [1,1,0,0,0,0|1,0,1]=4 10118 B9R0.2 CC(C)CCOCCCBr 34a_100011217188_100000210312 [1,1,0,0,0,0|1,0,0]=3 10119 B9R0.2 CC(C)CCOCCCCl 34a_100000230001_100000210312 [1,1,0,0,0,0|1,0,0]=3 10120 B9R0.2 CC(C)CCOCCCF 34a_100000210254_100011934791 [1,1,0,0,0,0|1,0,0]=3 10121 B9R0.2 CC(C)CCOCCCF 34a_100000759539_100000210312 [1,1,0,0,0,0|1,0,0]=3 10122 B9R0.2 CC(C)CCOCCCF 7a_100000210254_100011934791 [1,1,0,0,0,0|1,0,0]=3 10123 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [1,1,0,0,0,0|1,0,0]=3 10124 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [1,1,0,0,0,0|1,0,0]=3 10125 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [1,1,0,0,0,0|1,0,0]=3 10126 B9R0.2 CC(C)CCOCCON 34a_100000700252_100000210312 [1,1,0,0,0,0|2,0,0]=4 10127 B9R0.2 CC(C)CCSCCCF 62a_100000210312_100011934791 [1,1,0,0,0,0|1,1,0]=4 10128 B9R0.2 CC(C)CCSCCCF 62a_100011934791_100000210312 [1,1,0,0,0,0|1,1,0]=4 10129 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [1,1,0,0,0,0|1,1,0]=4 10130 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [1,1,0,0,0,0|1,1,0]=4 10131 B9R0.2 CC(C)CNCCCCF 2230a_100000210953_100000729493 [1,1,0,0,0,0|2,0,0]=4 10132 B9R0.2 CC(C)CNCCCCF 34a_100000210953_100000729493 [1,1,0,0,0,0|2,0,0]=4 10133 B9R0.2 CC(C)CNCCCCO 2230a_100000210953_100000210776 [1,1,0,0,0,0|2,0,0]=4 10134 B9R0.2 CC(C)CNCCCCO 2230a_100000750430_100000210760 [1,1,0,0,0,0|2,0,0]=4 10135 B9R0.2 CC(C)CNCCCCO 270004a_100000750430_100000210432 [1,1,0,0,0,0|2,0,0]=4 10136 B9R0.2 CC(C)CNCCCCO 34a_100000210953_100011216708 [1,1,0,0,0,0|2,0,0]=4 10137 B9R0.2 CC(C)CNCCCCO 34a_100000750430_100000210624 [1,1,0,0,0,0|2,0,0]=4 10138 B9R0.2 CC(C)COCCCCBr 34a_100011216708_100000210624 [1,1,0,0,0,0|1,0,0]=3 10139 B9R0.2 CC(C)COCCCCCl 34a_100000210776_100000210624 [1,1,0,0,0,0|1,0,0]=3 10140 B9R0.2 CC(C)COCCCCCl 7a_100000210776_100000210760 [1,1,0,0,0,0|1,0,0]=3 10141 B9R0.2 CC(C)COCCCCF 34a_100000210257_100000729493 [1,1,0,0,0,0|1,0,0]=3 10142 B9R0.2 CC(C)COCCCCF 34a_100011995726_100000210624 [1,1,0,0,0,0|1,0,0]=3 10143 B9R0.2 CC(C)COCCCCF 7a_100011995726_100000210760 [1,1,0,0,0,0|1,0,0]=3 10144 B9R0.2 CC(C)COCCCCI 34a_200012148704_100000210624 [1,1,0,0,0,0|1,0,0]=3 10145 B9R0.2 CC(C)COCCCCN 34a_100000750430_100000210624 [1,1,0,0,0,0|1,0,0]=3 10146 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [1,1,0,0,0,0|1,0,0]=3 10147 B9R0.2 CC(C)COCCCN[13CH3] 2230a_100000205972_200025704644 [1,1,0,0,0,0|1,0,0]=3 10148 B9R0.2 CC(C)COCCCN[13CH3] 34a_100000205972_200025704644 [1,1,0,0,0,0|1,0,0]=3 10149 B9R0.2 CC(C)COCCOCF 34a_100000703358_100015361967 [1,1,0,0,0,0|2,0,0]=4 10150 B9R0.2 CC(C)COCCOCF 7a_100000703358_100015361967 [1,1,0,0,0,0|2,0,0]=4 10151 B9R0.2 CC(C)CSCCCCF 62a_100000210624_100000729493 [1,1,0,0,0,0|1,1,0]=4 10152 B9R0.2 CC(C)CSCCCCF 62a_100000729493_100000210760 [1,1,0,0,0,0|1,1,0]=4 10153 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [1,1,0,0,0,0|1,1,0]=4 10154 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [1,1,0,0,0,0|1,1,0]=4 10155 B9R0.2 CC(C)NCCCCCF 2230a_100138425928_100000729378 [1,1,0,0,0,0|2,0,0]=4 10156 B9R0.2 CC(C)NCCCCCF 34a_100138425928_100000729378 [1,1,0,0,0,0|2,0,0]=4 10157 B9R0.2 CC(C)NCCCCCO 2230a_100000762737_100000210206 [1,1,0,0,0,0|2,0,0]=4 10158 B9R0.2 CC(C)NCCCCCO 2230a_100138425928_100000746330 [1,1,0,0,0,0|2,0,0]=4 10159 B9R0.2 CC(C)NCCCCCO 34a_100000762737_100000210206 [1,1,0,0,0,0|2,0,0]=4 10160 B9R0.2 CC(C)NCCCCCO 34a_100138425928_100000746330 [1,1,0,0,0,0|2,0,0]=4 10161 B9R0.2 CC(C)NCCCCO[13CH3] 34a_100011521146_200025704644 [1,1,0,0,0,0|2,0,0]=4 10162 B9R0.2 CC(C)NCCOCCF 34a_100000224655_100011217306 [1,1,0,0,0,0|2,0,0]=4 10163 B9R0.2 CC(C)NCCOCCO 2230a_100000211614_100000210206 [1,1,0,0,0,0|2,0,0]=4 10164 B9R0.2 CC(C)NCCOCCO 2230a_100138425928_100011215305 [1,1,0,0,0,0|2,0,0]=4 10165 B9R0.2 CC(C)NCCOCCO 34a_100000211614_100000210206 [1,1,0,0,0,0|2,0,0]=4 10166 B9R0.2 CC(C)NCCOCCO 34a_100000224655_100000211926 [1,1,0,0,0,0|2,0,0]=4 10167 B9R0.2 CC(C)NCCOCCO 34a_100138425928_100000692535 [1,1,0,0,0,0|2,0,0]=4 10168 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [1,1,0,0,0,0|2,0,0]=4 10169 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [1,1,0,0,0,0|2,0,0]=4 10170 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [1,1,0,0,0,0|2,0,0]=4 10171 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [1,1,0,0,0,0|2,0,0]=4 10172 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [1,1,0,0,0,0|2,0,0]=4 10173 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [1,1,0,0,0,0|2,0,0]=4 10174 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [1,1,0,0,0,0|2,0,0]=4 10175 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [1,1,0,0,0,0|2,0,0]=4 10176 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [1,1,0,0,0,0|2,0,0]=4 10177 B9R0.2 CC(C)OCCOCCBr 34a_100000211926_100000211751 [1,1,0,0,0,0|2,0,0]=4 10178 B9R0.2 CC(C)OCCOCCBr 34a_100000692535_100000210206 [1,1,0,0,0,0|2,0,0]=4 10179 B9R0.2 CC(C)OCCOCCBr 7a_100000692535_100000210206 [1,1,0,0,0,0|2,0,0]=4 10180 B9R0.2 CC(C)OCCOCCCl 34a_100011215305_100000210206 [1,1,0,0,0,0|2,0,0]=4 10181 B9R0.2 CC(C)OCCOCCCl 7a_100011215305_100000210206 [1,1,0,0,0,0|2,0,0]=4 10182 B9R0.2 CC(C)OCCOCCF 34a_100000211219_100011217306 [1,1,0,0,0,0|2,0,0]=4 10183 B9R0.2 CC(C)OCCOCCF 34a_200015357709_100000210206 [1,1,0,0,0,0|2,0,0]=4 10184 B9R0.2 CC(C)OCCOCCF 7a_100000211219_100011217306 [1,1,0,0,0,0|2,0,0]=4 10185 B9R0.2 CC(C)OCCOCCF 7a_200015357709_100000210206 [1,1,0,0,0,0|2,0,0]=4 10186 B9R0.2 CC(C)OCCOCCI 34a_100012149058_100000210206 [1,1,0,0,0,0|2,0,0]=4 10187 B9R0.2 CC(C)OCCOCCI 7a_100012149058_100000210206 [1,1,0,0,0,0|2,0,0]=4 10188 B9R0.2 CC(C)OCCOCCN 34a_100000210304_100000211751 [1,1,0,0,0,0|2,0,0]=4 10189 B9R0.2 CC(C)OCCOCCN 34a_100000211614_100000210206 [1,1,0,0,0,0|2,0,0]=4 10190 B9R0.2 CC(C)OCCOCCO 34a_100000211219_100000211926 [1,1,0,0,0,0|2,0,0]=4 10191 B9R0.2 CC(C)OCCOCCO 34a_100000212225_100000692535 [1,1,0,0,0,0|2,0,0]=4 10192 B9R0.2 CC(C)OCCOCCO 7a_100000211219_100000211926 [1,1,0,0,0,0|2,0,0]=4 10193 B9R0.2 CC(C)OCOCCCBr 34a_100011217188_100000709892 [1,1,0,0,0,0|2,0,0]=4 10194 B9R0.2 CC(C)OCOCCCCl 34a_100000230001_100000709892 [1,1,0,0,0,0|2,0,0]=4 10195 B9R0.2 CC(C)OCOCCCF 34a_100000759539_100000709892 [1,1,0,0,0,0|2,0,0]=4 10196 B9R0.2 CC(C)OCOCCCN 34a_100000182051_100000709892 [1,1,0,0,0,0|2,0,0]=4 10197 B9R0.2 CC(C)SCCCCCF 62a_100000210206_100000729378 [1,1,0,0,0,0|2,0,0]=4 10198 B9R0.2 CC(C)SCCCCCF 62a_100000729378_100000210206 [1,1,0,0,0,0|2,0,0]=4 10199 B9R0.2 CC(C)SCCCCCO 62a_100000210206_100000746330 [1,1,0,0,0,0|2,0,0]=4 10200 B9R0.2 CC(C)SCCCCCO 62a_100000746330_100000210206 [1,1,0,0,0,0|2,0,0]=4 10201 B9R0.2 CC(C)SCCOCCBr 34a_100000211926_100000730970 [1,1,0,0,0,0|2,0,0]=4 10202 B9R0.2 CC(C)SCCOCCF 34a_200011212901_100011217306 [1,1,0,0,0,0|2,0,0]=4 10203 B9R0.2 CC(C)SCCOCCF 7a_200011212901_100011217306 [1,1,0,0,0,0|2,0,0]=4 10204 B9R0.2 CC(C)SCCOCCN 34a_100000210304_100000730970 [1,1,0,0,0,0|2,0,0]=4 10205 B9R0.2 CC(C)SCCOCCO 34a_200011212901_100000211926 [1,1,0,0,0,0|2,0,0]=4 10206 B9R0.2 CC(C)SCCOCCO 62a_100000210206_100011215305 [1,1,0,0,0,0|2,0,0]=4 10207 B9R0.2 CC(C)SCCOCCO 62a_100011215305_100000210206 [1,1,0,0,0,0|2,0,0]=4 10208 B9R0.2 CC(C)SCCOCCO 7a_200011212901_100000211926 [1,1,0,0,0,0|2,0,0]=4 10209 B9R0.2 CC(F)COCCCCF 34a_100015925927_100000729493 [1,1,0,0,0,0|1,0,0]=3 10210 B9R0.2 CC(F)COCCCCO 34a_100015925927_100011216708 [1,1,0,0,0,0|1,0,0]=3 10211 B9R0.2 CC(O)CCCNCCF 34a_100000724931_200000718107 [1,1,0,0,0,0|2,0,0]=4 10212 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [1,1,0,0,0,0|2,0,0]=4 10213 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [1,1,0,0,0,0|2,0,0]=4 10214 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [1,1,0,0,0,0|1,0,0]=3 10215 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [1,1,0,0,0,0|1,0,0]=3 10216 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [1,1,0,0,0,0|1,1,0]=4 10217 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [1,1,0,0,0,0|1,1,0]=4 10218 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [1,1,0,0,0,0|1,1,0]=4 10219 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [1,1,0,0,0,0|1,1,0]=4 10220 B9R0.2 CC(O)CCNCCCF 2230a_100015189416_100012276601 [1,1,0,0,0,0|2,0,0]=4 10221 B9R0.2 CC(O)CCNCCCF 2230a_200000755665_100011934791 [1,1,0,0,0,0|2,0,0]=4 10222 B9R0.2 CC(O)CCNCCCF 34a_100015189416_100012276601 [1,1,0,0,0,0|2,0,0]=4 10223 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [1,1,0,0,0,0|2,0,0]=4 10224 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [1,1,0,0,0,0|1,0,0]=3 10225 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [1,1,0,0,0,0|1,0,0]=3 10226 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [1,1,0,0,0,0|1,0,0]=3 10227 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [1,1,0,0,0,0|1,0,0]=3 10228 B9R0.2 CC(O)CCOCCON 34a_100000700252_100012276601 [1,1,0,0,0,0|2,0,0]=4 10229 B9R0.2 CC(O)CCSCCCF 62a_100011934791_100012276601 [1,1,0,0,0,0|1,1,0]=4 10230 B9R0.2 CC(O)CCSCCCF 62a_100012276601_100011934791 [1,1,0,0,0,0|1,1,0]=4 10231 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [1,1,0,0,0,0|1,1,0]=4 10232 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [1,1,0,0,0,0|1,1,0]=4 10233 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [1,1,0,0,0,0|2,0,0]=4 10234 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [1,1,0,0,0,0|2,0,0]=4 10235 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [1,1,0,0,0,0|2,0,0]=4 10236 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [1,1,0,0,0,0|2,0,0]=4 10237 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [1,1,0,0,0,0|2,0,0]=4 10238 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [1,1,0,0,0,0|2,0,0]=4 10239 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [1,1,0,0,0,0|1,0,0]=3 10240 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [1,1,0,0,0,0|1,0,0]=3 10241 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [1,1,0,0,0,0|1,0,0]=3 10242 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [1,1,0,0,0,0|1,0,0]=3 10243 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [1,1,0,0,0,0|1,0,0]=3 10244 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [1,1,0,0,0,0|1,0,0]=3 10245 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [1,1,0,0,0,0|1,0,0]=3 10246 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [1,1,0,0,0,0|1,1,0]=4 10247 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [1,1,0,0,0,0|1,1,0]=4 10248 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [1,1,0,0,0,0|1,1,0]=4 10249 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [1,1,0,0,0,0|1,1,0]=4 10250 B9R0.2 CC/C=C\COCC(C)Br 34a_100012180447_100103147603 [1,1,0,0,0,0|0,0,2]=4 10251 B9R0.2 CC/C=C\COCC(C)C 34a_100000210257_100103147603 [1,1,0,0,0,0|0,0,2]=4 10252 B9R0.2 CC/C=C\COCC(C)C 34a_100016268518_100000210624 [1,1,0,0,0,0|0,0,2]=4 10253 B9R0.2 CC/C=C\COCC(C)F 34a_100015925927_100103147603 [1,1,0,0,0,0|0,0,2]=4 10254 B9R0.2 CC/C=C\COCC(C)O 34a_100016268518_100011218427 [1,1,0,0,0,0|0,0,2]=4 10255 B9R0.2 CC/C=C\COC[C@@H](C)Cl 34a_100016084084_100103147603 [1,1,0,0,0,0|0,0,2]=4 10256 B9R0.2 CC/C=C\COC[C@@H](C)N 34a_100000737577_100103147603 [1,1,0,0,0,0|0,0,2]=4 10257 B9R0.2 CC/C=C\COC[C@@H](C)O 34a_100016268518_100009817552 [1,1,0,0,0,0|0,0,2]=4 10258 B9R0.2 CC=CCOCCC(C)Br 34a_100009893172_100000070051 [1,1,0,0,0,0|0,0,2]=4 10259 B9R0.2 CC=CCOCCC(C)C 34a_100000210254_100000070051 [1,1,0,0,0,0|0,0,2]=4 10260 B9R0.2 CC=CCOCCC(C)C 7a_100000210254_100000070051 [1,1,0,0,0,0|0,0,2]=4 10261 B9R0.2 CC=CCOCC[C@@H](C)N 34a_100000706166_100000070051 [1,1,0,0,0,0|0,0,2]=4 10262 B9R0.2 CCC#CCOCC(C)Br 34a_100012180447_100009813939 [1,1,0,0,0,0|0,0,2]=4 10263 B9R0.2 CCC#CCOCC(C)C 34a_100000032950_100000210624 [1,1,0,0,0,0|0,0,2]=4 10264 B9R0.2 CCC#CCOCC(C)C 34a_100000210257_100009813939 [1,1,0,0,0,0|0,0,2]=4 10265 B9R0.2 CCC#CCOCC(C)F 34a_100015925927_100009813939 [1,1,0,0,0,0|0,0,2]=4 10266 B9R0.2 CCC#CCOCC(C)O 34a_100000032950_100011218427 [1,1,0,0,0,0|0,0,2]=4 10267 B9R0.2 CCC#CCOC[C@@H](C)Cl 34a_100016084084_100009813939 [1,1,0,0,0,0|0,0,2]=4 10268 B9R0.2 CCC#CCOC[C@@H](C)N 34a_100000737577_100009813939 [1,1,0,0,0,0|0,0,2]=4 10269 B9R0.2 CCC#CCOC[C@@H](C)O 34a_100000032950_100009817552 [1,1,0,0,0,0|0,0,2]=4 10270 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,1,0,0,0,0|0,0,1]=3 10271 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,1,0,0,0,0|0,0,1]=3 10272 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,1,0,0,0,0|0,0,1]=3 10273 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,1,0,0,0,0|1,0,0]=3 10274 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,1,0,0,0,0|1,0,0]=3 10275 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,1,0,0,0,0|1,0,0]=3 10276 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,1,0,0,0,0|1,0,0]=3 10277 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,1,0,0,0,0|1,0,0]=3 10278 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,1,0,0,0,0|1,0,0]=3 10279 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,1,0,0,0,0|1,0,1]=4 10280 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,1,0,0,0,0|1,0,1]=4 10281 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,1,0,0,0,0|1,0,1]=4 10282 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,1,0,0,0,0|1,0,1]=4 10283 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,1,0,0,0,0|1,0,0]=3 10284 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,1,0,0,0,0|1,0,0]=3 10285 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,1,0,0,0,0|1,0,0]=3 10286 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,1,0,0,0,0|1,0,0]=3 10287 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,1,0,0,0,0|1,0,0]=3 10288 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,1,0,0,0,0|1,0,0]=3 10289 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,1,0,0,0,0|1,0,0]=3 10290 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,1,0,0,0,0|1,0,0]=3 10291 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [1,1,0,0,0,0|1,0,0]=3 10292 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [1,1,0,0,0,0|1,0,0]=3 10293 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [1,1,0,0,0,0|1,0,0]=3 10294 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [1,1,0,0,0,0|1,0,0]=3 10295 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,1,0,0,0,0|1,0,0]=3 10296 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,1,0,0,0,0|1,0,0]=3 10297 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,1,0,0,0,0|1,0,0]=3 10298 B9R0.2 CCCCCNCC(F)F 2230a_100000209983_100011934356 [1,1,0,0,0,0|2,0,0]=4 10299 B9R0.2 CCCCCNCC(F)F 34a_100000765723_100000718602 [1,1,0,0,0,0|2,0,0]=4 10300 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,1,0,0,0,0|1,0,0]=3 10301 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,1,0,0,0,0|0,0,1]=3 10302 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [1,1,0,0,0,0|1,0,1]=4 10303 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [1,1,0,0,0,0|1,0,1]=4 10304 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [1,1,0,0,0,0|1,0,1]=4 10305 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [1,1,0,0,0,0|0,0,0]=2 10306 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,1,0,0,0,0|0,0,0]=2 10307 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,1,0,0,0,0|0,0,0]=2 10308 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,1,0,0,0,0|0,0,0]=2 10309 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [1,1,0,0,0,0|0,0,0]=2 10310 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,1,0,0,0,0|0,0,0]=2 10311 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,1,0,0,0,0|0,0,0]=2 10312 B9R0.2 CCCCCOCC(F)F 34a_100000210253_100011934356 [1,1,0,0,0,0|1,0,0]=3 10313 B9R0.2 CCCCCOCC(F)F 34a_100000743014_100000718602 [1,1,0,0,0,0|1,0,0]=3 10314 B9R0.2 CCCCCOCC(F)F 7a_100000210253_100011934356 [1,1,0,0,0,0|1,0,0]=3 10315 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [1,1,0,0,0,0|0,0,0]=2 10316 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [1,1,0,0,0,0|0,0,0]=2 10317 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,1,0,0,0,0|0,0,0]=2 10318 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,1,0,0,0,0|0,0,0]=2 10319 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [1,1,0,0,0,0|2,0,0]=4 10320 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [1,1,0,0,0,0|0,1,0]=3 10321 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [1,1,0,0,0,0|0,1,0]=3 10322 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,1,0,0,0,0|0,1,0]=3 10323 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,1,0,0,0,0|0,1,0]=3 10324 B9R0.2 CCCCCSCC(F)F 62a_100000210326_100011934356 [1,1,0,0,0,0|1,1,0]=4 10325 B9R0.2 CCCCCSCC(F)F 62a_100011934356_100000210326 [1,1,0,0,0,0|1,1,0]=4 10326 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,1,0,0,0,0|0,1,0]=3 10327 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,1,0,0,0,0|0,1,0]=3 10328 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,1,0,0,0,0|1,0,1]=4 10329 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [1,1,0,0,0,0|1,0,0]=3 10330 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [1,1,0,0,0,0|1,0,0]=3 10331 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [1,1,0,0,0,0|1,0,0]=3 10332 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [1,1,0,0,0,0|1,0,0]=3 10333 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [1,1,0,0,0,0|1,0,0]=3 10334 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [1,1,0,0,0,0|1,0,0]=3 10335 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [1,1,0,0,0,0|2,0,0]=4 10336 B9R0.2 CCCCNCOC(C)C 2230a_100000102301_100000709892 [1,1,0,0,0,0|2,0,0]=4 10337 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [1,1,0,0,0,0|0,0,2]=4 10338 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [1,1,0,0,0,0|0,0,2]=4 10339 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [1,1,0,0,0,0|0,0,2]=4 10340 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,1,0,0,0,0|0,0,1]=3 10341 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,1,0,0,0,0|0,0,1]=3 10342 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,1,0,0,0,0|0,0,1]=3 10343 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,1,0,0,0,0|0,0,1]=3 10344 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [1,1,0,0,0,0|1,0,1]=4 10345 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [1,1,0,0,0,0|1,0,1]=4 10346 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [1,1,0,0,0,0|1,0,1]=4 10347 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [1,1,0,0,0,0|1,0,1]=4 10348 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [1,1,0,0,0,0|0,0,0]=2 10349 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [1,1,0,0,0,0|0,0,0]=2 10350 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [1,1,0,0,0,0|0,0,0]=2 10351 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [1,1,0,0,0,0|0,0,0]=2 10352 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [1,1,0,0,0,0|0,0,0]=2 10353 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,1,0,0,0,0|0,0,0]=2 10354 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,1,0,0,0,0|0,0,0]=2 10355 B9R0.2 CCCCOCCC(F)F 34a_100103093639_100000210210 [1,1,0,0,0,0|1,0,0]=3 10356 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [1,1,0,0,0,0|1,0,0]=3 10357 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [1,1,0,0,0,0|1,0,0]=3 10358 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [1,1,0,0,0,0|1,0,0]=3 10359 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [1,1,0,0,0,0|0,0,0]=2 10360 B9R0.2 CCCCOCNC(C)C 2230a_100138425928_100011995733 [1,1,0,0,0,0|1,0,0]=3 10361 B9R0.2 CCCCOCNC(C)C 34a_100138425928_100011995733 [1,1,0,0,0,0|1,0,0]=3 10362 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [1,1,0,0,0,0|1,0,1]=4 10363 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [1,1,0,0,0,0|1,0,0]=3 10364 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [1,1,0,0,0,0|1,0,0]=3 10365 B9R0.2 CCCCOCSC(C)C 62a_100000210206_100011995733 [1,1,0,0,0,0|1,0,0]=3 10366 B9R0.2 CCCCOCSC(C)C 62a_100011995733_100000210206 [1,1,0,0,0,0|1,0,0]=3 10367 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,1,0,0,0,0|0,1,1]=4 10368 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,1,0,0,0,0|0,1,1]=4 10369 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [1,1,0,0,0,0|0,1,0]=3 10370 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [1,1,0,0,0,0|0,1,0]=3 10371 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [1,1,0,0,0,0|0,1,0]=3 10372 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [1,1,0,0,0,0|0,1,0]=3 10373 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [1,1,0,0,0,0|1,1,0]=4 10374 B9R0.2 CCCCSCOC(C)C 62a_100000210211_100000709892 [1,1,0,0,0,0|1,1,0]=4 10375 B9R0.2 CCCCSCOC(C)C 62a_100000709892_100000210210 [1,1,0,0,0,0|1,1,0]=4 10376 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [1,1,0,0,0,0|1,0,0]=3 10377 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [1,1,0,0,0,0|1,0,0]=3 10378 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [1,1,0,0,0,0|2,0,0]=4 10379 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [1,1,0,0,0,0|2,0,0]=4 10380 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [1,1,0,0,0,0|2,0,0]=4 10381 B9R0.2 CCCNCCSC(C)C 2230a_100000731138_100000210303 [1,1,0,0,0,0|2,0,0]=4 10382 B9R0.2 CCCNCCSC(C)C 34a_100000731138_100000210303 [1,1,0,0,0,0|2,0,0]=4 10383 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [1,1,0,0,0,0|0,0,2]=4 10384 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,1,0,0,0,0|0,0,1]=3 10385 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,1,0,0,0,0|0,0,1]=3 10386 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,1,0,0,0,0|0,0,1]=3 10387 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [1,1,0,0,0,0|1,0,1]=4 10388 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [1,1,0,0,0,0|0,0,0]=2 10389 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [1,1,0,0,0,0|0,0,0]=2 10390 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [1,1,0,0,0,0|0,0,0]=2 10391 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,1,0,0,0,0|0,0,0]=2 10392 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [1,1,0,0,0,0|2,0,0]=4 10393 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [1,1,0,0,0,0|1,0,1]=4 10394 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [1,1,0,0,0,0|1,0,1]=4 10395 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [1,1,0,0,0,0|1,0,1]=4 10396 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [1,1,0,0,0,0|1,0,1]=4 10397 B9R0.2 CCCOCCNC(C)C 2230a_100138425928_100011215938 [1,1,0,0,0,0|1,0,0]=3 10398 B9R0.2 CCCOCCNC(C)C 2230a_100161115042_100000210206 [1,1,0,0,0,0|1,0,0]=3 10399 B9R0.2 CCCOCCNC(C)C 34a_100000224655_100000210303 [1,1,0,0,0,0|1,0,0]=3 10400 B9R0.2 CCCOCCNC(C)C 34a_100138425928_100011215938 [1,1,0,0,0,0|1,0,0]=3 10401 B9R0.2 CCCOCCNC(C)C 34a_100161115042_100000210206 [1,1,0,0,0,0|1,0,0]=3 10402 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [1,1,0,0,0,0|1,0,1]=4 10403 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [1,1,0,0,0,0|1,0,0]=3 10404 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [1,1,0,0,0,0|1,0,0]=3 10405 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [1,1,0,0,0,0|1,0,0]=3 10406 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [1,1,0,0,0,0|1,0,0]=3 10407 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [1,1,0,0,0,0|1,0,0]=3 10408 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [1,1,0,0,0,0|1,0,0]=3 10409 B9R0.2 CCCOCCSC(C)C 34a_100000210258_100000730970 [1,1,0,0,0,0|1,0,0]=3 10410 B9R0.2 CCCOCCSC(C)C 34a_200011212901_100000210303 [1,1,0,0,0,0|1,0,0]=3 10411 B9R0.2 CCCOCCSC(C)C 62a_100000210206_100011215938 [1,1,0,0,0,0|1,0,0]=3 10412 B9R0.2 CCCOCCSC(C)C 62a_100011215938_100000210206 [1,1,0,0,0,0|1,0,0]=3 10413 B9R0.2 CCCOCCSC(C)C 7a_200011212901_100000210303 [1,1,0,0,0,0|1,0,0]=3 10414 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,1,0,0,0,0|0,1,1]=4 10415 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,1,0,0,0,0|0,1,1]=4 10416 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [1,1,0,0,0,0|0,1,0]=3 10417 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [1,1,0,0,0,0|0,1,0]=3 10418 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,1,0,0,0,0|0,1,0]=3 10419 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,1,0,0,0,0|0,1,0]=3 10420 B9R0.2 CCCSCCCN(C)C 62a_100000210303_100000757444 [1,1,0,0,0,0|1,1,0]=4 10421 B9R0.2 CCCSCCNC(C)C 2230a_100020603323_100000210206 [1,1,0,0,0,0|1,1,0]=4 10422 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [1,1,0,0,0,0|1,1,0]=4 10423 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [1,1,0,0,0,0|1,1,0]=4 10424 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [1,1,0,0,0,0|1,1,0]=4 10425 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [1,1,0,0,0,0|1,1,0]=4 10426 B9R0.2 CCCSCCSC(C)C 62a_100000210303_100000730970 [1,1,0,0,0,0|1,1,0]=4 10427 B9R0.2 CCCSCCSC(C)C 62a_100000730970_100000210303 [1,1,0,0,0,0|1,1,0]=4 10428 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,1,0,0,0,0|1,0,0]=3 10429 B9R0.2 CCNCCCOC(C)C 2230a_100000737246_100000210202 [1,1,0,0,0,0|2,0,0]=4 10430 B9R0.2 CCNCCCOC(C)C 34a_100000737246_100000210202 [1,1,0,0,0,0|2,0,0]=4 10431 B9R0.2 CCNCCOCC(F)F 2230a_100015525214_200012177212 [1,1,0,0,0,0|2,0,0]=4 10432 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,1,0,0,0,0|1,0,1]=4 10433 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [1,1,0,0,0,0|1,0,0]=3 10434 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [1,1,0,0,0,0|1,0,0]=3 10435 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [1,1,0,0,0,0|1,0,0]=3 10436 B9R0.2 CCOCCCNC(C)C 2230a_100000210961_100000210206 [1,1,0,0,0,0|2,0,0]=4 10437 B9R0.2 CCOCCCNC(C)C 2230a_100138425928_100012232248 [1,1,0,0,0,0|2,0,0]=4 10438 B9R0.2 CCOCCCNC(C)C 34a_100000182298_100000210202 [1,1,0,0,0,0|2,0,0]=4 10439 B9R0.2 CCOCCCNC(C)C 34a_100000210961_100000210206 [1,1,0,0,0,0|2,0,0]=4 10440 B9R0.2 CCOCCCNC(C)C 34a_100138425928_100012232248 [1,1,0,0,0,0|2,0,0]=4 10441 B9R0.2 CCOCCCOC(C)C 34a_100000212225_100012232248 [1,1,0,0,0,0|2,0,0]=4 10442 B9R0.2 CCOCCCOC(C)C 34a_100000757476_100000210206 [1,1,0,0,0,0|2,0,0]=4 10443 B9R0.2 CCOCCCOC(C)C 7a_100000757476_100000210206 [1,1,0,0,0,0|2,0,0]=4 10444 B9R0.2 CCOCCCSC(C)C 62a_100000210206_100012232248 [1,1,0,0,0,0|2,0,0]=4 10445 B9R0.2 CCOCCCSC(C)C 62a_100012232248_100000210206 [1,1,0,0,0,0|2,0,0]=4 10446 B9R0.2 CCOCCNCC(C)C 2230a_100000210953_100011215890 [1,1,0,0,0,0|2,0,0]=4 10447 B9R0.2 CCOCCNCC(C)C 2230a_102516460346_100000210760 [1,1,0,0,0,0|2,0,0]=4 10448 B9R0.2 CCOCCNCC(C)C 270004a_102516460346_100000210432 [1,1,0,0,0,0|2,0,0]=4 10449 B9R0.2 CCOCCNCC(C)C 34a_100000210953_100000210147 [1,1,0,0,0,0|2,0,0]=4 10450 B9R0.2 CCOCCNCC(C)C 34a_100015185251_100000210202 [1,1,0,0,0,0|2,0,0]=4 10451 B9R0.2 CCOCCNCC(C)C 34a_102516460346_100000210624 [1,1,0,0,0,0|2,0,0]=4 10452 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [1,1,0,0,0,0|2,0,0]=4 10453 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [1,1,0,0,0,0|2,0,0]=4 10454 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [1,1,0,0,0,0|2,0,0]=4 10455 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [1,1,0,0,0,0|2,0,0]=4 10456 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [1,1,0,0,0,0|2,0,0]=4 10457 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [1,1,0,0,0,0|2,0,0]=4 10458 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [1,1,0,0,0,0|1,0,1]=4 10459 B9R0.2 CCOCCOCC(C)Br 34a_100012180447_100000210147 [1,1,0,0,0,0|1,0,0]=3 10460 B9R0.2 CCOCCOCC(C)C 34a_100000210136_100000210624 [1,1,0,0,0,0|1,0,0]=3 10461 B9R0.2 CCOCCOCC(C)C 34a_100000210257_100000210147 [1,1,0,0,0,0|1,0,0]=3 10462 B9R0.2 CCOCCOCC(C)C 34a_100000703358_100000210202 [1,1,0,0,0,0|1,0,0]=3 10463 B9R0.2 CCOCCOCC(C)C 7a_100000210136_100000210760 [1,1,0,0,0,0|1,0,0]=3 10464 B9R0.2 CCOCCOCC(C)C 7a_100000703358_100000210202 [1,1,0,0,0,0|1,0,0]=3 10465 B9R0.2 CCOCCOCC(C)F 34a_100015925927_100000210147 [1,1,0,0,0,0|1,0,0]=3 10466 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [1,1,0,0,0,0|1,0,0]=3 10467 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [1,1,0,0,0,0|1,0,0]=3 10468 B9R0.2 CCOCCOCC(F)F 34a_100000210136_100011934356 [1,1,0,0,0,0|2,0,0]=4 10469 B9R0.2 CCOCCOCC(F)F 34a_100000704375_100000210202 [1,1,0,0,0,0|2,0,0]=4 10470 B9R0.2 CCOCCOCC(F)F 34a_100000743014_100000210147 [1,1,0,0,0,0|2,0,0]=4 10471 B9R0.2 CCOCCOCC(F)F 34a_100121572206_200012177212 [1,1,0,0,0,0|2,0,0]=4 10472 B9R0.2 CCOCCOCC(F)F 7a_100000210136_100011934356 [1,1,0,0,0,0|2,0,0]=4 10473 B9R0.2 CCOCCOCC(F)F 7a_100000704375_100000210202 [1,1,0,0,0,0|2,0,0]=4 10474 B9R0.2 CCOCCOC[C@@H](C)Cl 34a_100016084084_100000210147 [1,1,0,0,0,0|1,0,0]=3 10475 B9R0.2 CCOCCOC[C@@H](C)N 34a_100000737577_100000210147 [1,1,0,0,0,0|1,0,0]=3 10476 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [1,1,0,0,0,0|1,0,0]=3 10477 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [1,1,0,0,0,0|1,0,0]=3 10478 B9R0.2 CCOCCSCC(C)C 34a_200000230437_100000210202 [1,1,0,0,0,0|1,1,0]=4 10479 B9R0.2 CCOCCSCC(C)C 62a_100000210147_100000210760 [1,1,0,0,0,0|1,1,0]=4 10480 B9R0.2 CCOCCSCC(C)C 62a_100000210624_100011215890 [1,1,0,0,0,0|1,1,0]=4 10481 B9R0.2 CCOCCSCC(C)C 7a_200000230437_100000210202 [1,1,0,0,0,0|1,1,0]=4 10482 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [1,1,0,0,0,0|1,1,0]=4 10483 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [1,1,0,0,0,0|1,1,0]=4 10484 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [1,1,0,0,0,0|1,1,0]=4 10485 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [1,1,0,0,0,0|1,1,0]=4 10486 B9R0.2 CCOCSCCC(C)C 62a_100000210312_100000739092 [1,1,0,0,0,0|1,1,0]=4 10487 B9R0.2 CCOCSCCC(C)C 62a_100000739092_100000210312 [1,1,0,0,0,0|1,1,0]=4 10488 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [1,1,0,0,0,0|1,1,0]=4 10489 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [1,1,0,0,0,0|1,1,0]=4 10490 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,1,0,0,0,0|1,0,1]=4 10491 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,1,0,0,0,0|1,0,1]=4 10492 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [1,1,0,0,0,0|1,0,0]=3 10493 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [1,1,0,0,0,0|1,0,0]=3 10494 B9R0.2 CCSCCCCN(C)C 62a_100000210202_100000690147 [1,1,0,0,0,0|2,0,0]=4 10495 B9R0.2 CCSCCCOC(C)C 34a_100011216438_100000210206 [1,1,0,0,0,0|2,0,0]=4 10496 B9R0.2 CCSCCCOC(C)C 7a_100011216438_100000210206 [1,1,0,0,0,0|2,0,0]=4 10497 B9R0.2 CCSCCNCC(C)C 2230a_100000106463_100000210760 [1,1,0,0,0,0|2,0,0]=4 10498 B9R0.2 CCSCCNCC(C)C 2230a_100000210953_100000757381 [1,1,0,0,0,0|2,0,0]=4 10499 B9R0.2 CCSCCNCC(C)C 270004a_100000106463_100000210432 [1,1,0,0,0,0|2,0,0]=4 10500 B9R0.2 CCSCCNCC(C)C 34a_100000210953_100000757381 [1,1,0,0,0,0|2,0,0]=4 10501 B9R0.2 CCSCCNCC(C)O 2230a_100000106463_100011218427 [1,1,0,0,0,0|2,0,0]=4 10502 B9R0.2 CCSCCNCC(C)O 2230a_100000210904_100000757381 [1,1,0,0,0,0|2,0,0]=4 10503 B9R0.2 CCSCCNCC(C)O 34a_100000210904_100000757381 [1,1,0,0,0,0|2,0,0]=4 10504 B9R0.2 CCSCCNC[C@@H](C)O 2230a_100000106463_100009817552 [1,1,0,0,0,0|2,0,0]=4 10505 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [1,1,0,0,0,0|1,0,1]=4 10506 B9R0.2 CCSCCOCC(C)Br 34a_100012180447_100000757381 [1,1,0,0,0,0|1,0,0]=3 10507 B9R0.2 CCSCCOCC(C)C 34a_100000210257_100000757381 [1,1,0,0,0,0|1,0,0]=3 10508 B9R0.2 CCSCCOCC(C)C 34a_100000212035_100000210624 [1,1,0,0,0,0|1,0,0]=3 10509 B9R0.2 CCSCCOCC(C)C 7a_100000212035_100000210760 [1,1,0,0,0,0|1,0,0]=3 10510 B9R0.2 CCSCCOCC(C)F 34a_100015925927_100000757381 [1,1,0,0,0,0|1,0,0]=3 10511 B9R0.2 CCSCCOCC(C)O 34a_100000212035_100011218427 [1,1,0,0,0,0|1,0,0]=3 10512 B9R0.2 CCSCCOCC(C)O 7a_100000212035_100011218427 [1,1,0,0,0,0|1,0,0]=3 10513 B9R0.2 CCSCCOCC(F)F 34a_100000212035_100011934356 [1,1,0,0,0,0|2,0,0]=4 10514 B9R0.2 CCSCCOCC(F)F 34a_100000743014_100000757381 [1,1,0,0,0,0|2,0,0]=4 10515 B9R0.2 CCSCCOCC(F)F 62a_100000210202_200012177212 [1,1,0,0,0,0|2,0,0]=4 10516 B9R0.2 CCSCCOCC(F)F 62a_200012177212_100000210202 [1,1,0,0,0,0|2,0,0]=4 10517 B9R0.2 CCSCCOCC(F)F 7a_100000212035_100011934356 [1,1,0,0,0,0|2,0,0]=4 10518 B9R0.2 CCSCCOC[C@@H](C)Cl 34a_100016084084_100000757381 [1,1,0,0,0,0|1,0,0]=3 10519 B9R0.2 CCSCCOC[C@@H](C)N 34a_100000737577_100000757381 [1,1,0,0,0,0|1,0,0]=3 10520 B9R0.2 CCSCCOC[C@@H](C)O 34a_100000212035_100009817552 [1,1,0,0,0,0|1,0,0]=3 10521 B9R0.2 CCSCCOC[C@@H](C)O 7a_100000212035_100009817552 [1,1,0,0,0,0|1,0,0]=3 10522 B9R0.2 CCSCCSCC(C)C 62a_100000210624_100000757381 [1,1,0,0,0,0|1,1,0]=4 10523 B9R0.2 CCSCCSCC(C)C 62a_100000757381_100000210760 [1,1,0,0,0,0|1,1,0]=4 10524 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [1,1,0,0,0,0|1,1,0]=4 10525 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [1,1,0,0,0,0|1,1,0]=4 10526 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [1,1,0,0,0,0|1,1,0]=4 10527 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [1,1,0,0,0,0|1,1,0]=4 10528 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [1,1,0,0,0,0|2,0,0]=4 10529 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [1,1,0,0,0,0|2,0,0]=4 10530 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [1,1,0,0,0,0|2,0,0]=4 10531 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [1,1,0,0,0,0|2,0,0]=4 10532 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [1,1,0,0,0,0|1,0,0]=3 10533 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [1,1,0,0,0,0|1,0,0]=3 10534 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [1,1,0,0,0,0|1,0,0]=3 10535 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [1,1,0,0,0,0|1,0,0]=3 10536 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [1,1,0,0,0,0|1,0,0]=3 10537 B9R0.2 CNCCCOCC(C)C 2230a_100000205972_200000210301 [1,1,0,0,0,0|1,0,0]=3 10538 B9R0.2 CNCCCOCC(C)C 34a_100000205972_200000210301 [1,1,0,0,0,0|1,0,0]=3 10539 B9R0.2 CNCCCOCC(C)C 34a_100000213112_100000210624 [1,1,0,0,0,0|1,0,0]=3 10540 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [1,1,0,0,0,0|1,0,0]=3 10541 B9R0.2 CNCCCOCC(F)F 34a_100000213112_100011934356 [1,1,0,0,0,0|2,0,0]=4 10542 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [1,1,0,0,0,0|1,0,0]=3 10543 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,1,0,0,0,0|1,0,1]=4 10544 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,1,0,0,0,0|1,0,1]=4 10545 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [1,1,0,0,0,0|1,0,0]=3 10546 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [1,1,0,0,0,0|1,0,0]=3 10547 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [1,1,0,0,0,0|1,0,0]=3 10548 B9R0.2 COCCCCNC(C)C 2230a_100138425928_100000730899 [1,1,0,0,0,0|2,0,0]=4 10549 B9R0.2 COCCCCNC(C)C 34a_100011521146_200000210301 [1,1,0,0,0,0|2,0,0]=4 10550 B9R0.2 COCCCCNC(C)C 34a_100138425928_100000755781 [1,1,0,0,0,0|2,0,0]=4 10551 B9R0.2 COCCCCOC(C)C 34a_100000212225_100000755781 [1,1,0,0,0,0|2,0,0]=4 10552 B9R0.2 COCCCCOC(C)C 34a_100000740925_100000210206 [1,1,0,0,0,0|2,0,0]=4 10553 B9R0.2 COCCCCSC(C)C 62a_100000210206_100000730899 [1,1,0,0,0,0|2,0,0]=4 10554 B9R0.2 COCCCCSC(C)C 62a_100000730899_100000210206 [1,1,0,0,0,0|2,0,0]=4 10555 B9R0.2 COCCCNCC(C)C 2230a_100000210953_100000740836 [1,1,0,0,0,0|2,0,0]=4 10556 B9R0.2 COCCCNCC(C)C 270004a_100150723488_100000210432 [1,1,0,0,0,0|2,0,0]=4 10557 B9R0.2 COCCCNCC(C)C 34a_100000210953_100000740836 [1,1,0,0,0,0|2,0,0]=4 10558 B9R0.2 COCCCNCC(C)C 34a_100150723488_100000210624 [1,1,0,0,0,0|2,0,0]=4 10559 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [1,1,0,0,0,0|2,0,0]=4 10560 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [1,1,0,0,0,0|2,0,0]=4 10561 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [1,1,0,0,0,0|2,0,0]=4 10562 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [1,1,0,0,0,0|2,0,0]=4 10563 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [1,1,0,0,0,0|1,0,1]=4 10564 B9R0.2 COCCCOCC(C)Br 34a_100012180447_100000740836 [1,1,0,0,0,0|1,0,0]=3 10565 B9R0.2 COCCCOCC(C)C 34a_100000210257_100000740836 [1,1,0,0,0,0|1,0,0]=3 10566 B9R0.2 COCCCOCC(C)C 34a_100000740835_100000210624 [1,1,0,0,0,0|1,0,0]=3 10567 B9R0.2 COCCCOCC(C)F 34a_100015925927_100000740836 [1,1,0,0,0,0|1,0,0]=3 10568 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [1,1,0,0,0,0|1,0,0]=3 10569 B9R0.2 COCCCOCC(F)F 34a_100000740835_100011934356 [1,1,0,0,0,0|2,0,0]=4 10570 B9R0.2 COCCCOCC(F)F 34a_100000743014_100000740836 [1,1,0,0,0,0|2,0,0]=4 10571 B9R0.2 COCCCOC[C@@H](C)Cl 34a_100016084084_100000740836 [1,1,0,0,0,0|1,0,0]=3 10572 B9R0.2 COCCCOC[C@@H](C)N 34a_100000737577_100000740836 [1,1,0,0,0,0|1,0,0]=3 10573 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [1,1,0,0,0,0|1,0,0]=3 10574 B9R0.2 COCCCSCC(C)C 62a_100000210624_100000709357 [1,1,0,0,0,0|1,1,0]=4 10575 B9R0.2 COCCCSCC(C)C 62a_100000709357_100000210760 [1,1,0,0,0,0|1,1,0]=4 10576 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [1,1,0,0,0,0|1,1,0]=4 10577 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [1,1,0,0,0,0|1,1,0]=4 10578 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [1,1,0,0,0,0|1,1,0]=4 10579 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [1,1,0,0,0,0|1,1,0]=4 10580 B9R0.2 COCCNCCC(C)C 2230a_100000209980_100000210312 [1,1,0,0,0,0|2,0,0]=4 10581 B9R0.2 COCCNCCC(C)C 269862a_100000209980_100000185833 [1,1,0,0,0,0|2,0,0]=4 10582 B9R0.2 COCCNCCC(C)O 2230a_100000209980_100012276601 [1,1,0,0,0,0|2,0,0]=4 10583 B9R0.2 COCCNCCC(C)O 2230a_200000755665_100011201679 [1,1,0,0,0,0|2,0,0]=4 10584 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [1,1,0,0,0,0|1,0,1]=4 10585 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [1,1,0,0,0,0|1,0,1]=4 10586 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [1,1,0,0,0,0|1,0,1]=4 10587 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [1,1,0,0,0,0|1,0,1]=4 10588 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [1,1,0,0,0,0|1,0,1]=4 10589 B9R0.2 COCCOCCC(C)Br 34a_100009893172_100011201679 [1,1,0,0,0,0|1,0,0]=3 10590 B9R0.2 COCCOCCC(C)C 34a_100000210237_100000210312 [1,1,0,0,0,0|1,0,0]=3 10591 B9R0.2 COCCOCCC(C)C 34a_100000210254_100011201679 [1,1,0,0,0,0|1,0,0]=3 10592 B9R0.2 COCCOCCC(C)C 7a_100000210254_100000233755 [1,1,0,0,0,0|1,0,0]=3 10593 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [1,1,0,0,0,0|1,0,0]=3 10594 B9R0.2 COCCOCCC(F)F 34a_100103093639_100011201679 [1,1,0,0,0,0|2,0,0]=4 10595 B9R0.2 COCCOCCN(C)C 2230a_100102631434_100000695917 [1,1,0,0,0,0|2,0,0]=4 10596 B9R0.2 COCCOCCN(C)C 269982a_100102631434_100000695917 [1,1,0,0,0,0|2,0,0]=4 10597 B9R0.2 COCCOCC[C@@H](C)N 34a_100000706166_100011201679 [1,1,0,0,0,0|1,0,0]=3 10598 B9R0.2 COCCOCNC(C)C 2230a_100138425928_100000231047 [1,1,0,0,0,0|2,0,0]=4 10599 B9R0.2 COCCOCOC(C)C 34a_100000210237_100000709892 [1,1,0,0,0,0|2,0,0]=4 10600 B9R0.2 COCCOCSC(C)C 62a_100000210206_100000231047 [1,1,0,0,0,0|2,0,0]=4 10601 B9R0.2 COCCOCSC(C)C 62a_100000231047_100000210206 [1,1,0,0,0,0|2,0,0]=4 10602 B9R0.2 COCCSCCC(C)C 62a_100000210312_100000233755 [1,1,0,0,0,0|1,1,0]=4 10603 B9R0.2 COCCSCCC(C)C 62a_100000233755_100000210312 [1,1,0,0,0,0|1,1,0]=4 10604 B9R0.2 COCCSCCC(C)O 62a_100000233755_100012276601 [1,1,0,0,0,0|1,1,0]=4 10605 B9R0.2 COCCSCCC(C)O 62a_100012276601_100000233755 [1,1,0,0,0,0|1,1,0]=4 10606 B9R0.2 COCNCCCC(C)C 2230a_200000737386_100000766300 [1,1,0,0,0,0|2,0,0]=4 10607 B9R0.2 COCSCCCC(C)C 62a_100000766300_100011214892 [1,1,0,0,0,0|1,1,0]=4 10608 B9R0.2 COCSCCCC(C)C 62a_100011214892_100000766300 [1,1,0,0,0,0|1,1,0]=4 10609 B9R0.2 COCSCCCC(C)O 62a_100000766300_200000718107 [1,1,0,0,0,0|1,1,0]=4 10610 B9R0.2 COCSCCCC(C)O 62a_200000718107_100000766300 [1,1,0,0,0,0|1,1,0]=4 10611 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [1,1,0,0,0,0|1,0,0]=3 10612 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [1,1,0,0,0,0|1,0,0]=3 10613 B9R0.2 CSCCCCOC(C)C 34a_100011217163_100000210206 [1,1,0,0,0,0|2,0,0]=4 10614 B9R0.2 CSCCCCOC(C)C 7a_100011217163_100000210206 [1,1,0,0,0,0|2,0,0]=4 10615 B9R0.2 CSCCCNCC(C)C 2230a_100000749238_100000210760 [1,1,0,0,0,0|2,0,0]=4 10616 B9R0.2 CSCCCNCC(C)C 270004a_100000749238_100000210432 [1,1,0,0,0,0|2,0,0]=4 10617 B9R0.2 CSCCCNCC(C)O 2230a_100000749238_100011218427 [1,1,0,0,0,0|2,0,0]=4 10618 B9R0.2 CSCCCNC[C@@H](C)O 2230a_100000749238_100009817552 [1,1,0,0,0,0|2,0,0]=4 10619 B9R0.2 CSCCCOCC(C)C 34a_100000690336_100000210624 [1,1,0,0,0,0|1,0,0]=3 10620 B9R0.2 CSCCCOCC(C)C 7a_100000690336_100000210760 [1,1,0,0,0,0|1,0,0]=3 10621 B9R0.2 CSCCCOCC(C)O 34a_100000690336_100011218427 [1,1,0,0,0,0|1,0,0]=3 10622 B9R0.2 CSCCCOCC(C)O 7a_100000690336_100011218427 [1,1,0,0,0,0|1,0,0]=3 10623 B9R0.2 CSCCCOCC(F)F 34a_100000690336_100011934356 [1,1,0,0,0,0|2,0,0]=4 10624 B9R0.2 CSCCCOCC(F)F 7a_100000690336_100011934356 [1,1,0,0,0,0|2,0,0]=4 10625 B9R0.2 CSCCCOC[C@@H](C)O 34a_100000690336_100009817552 [1,1,0,0,0,0|1,0,0]=3 10626 B9R0.2 CSCCCOC[C@@H](C)O 7a_100000690336_100009817552 [1,1,0,0,0,0|1,0,0]=3 10627 B9R0.2 CSCCNCCC(C)C 2230a_100020590264_100000210312 [1,1,0,0,0,0|2,0,0]=4 10628 B9R0.2 CSCCNCCC(C)C 269862a_100020590264_100000185833 [1,1,0,0,0,0|2,0,0]=4 10629 B9R0.2 CSCCNCCC(C)O 2230a_100020590264_100012276601 [1,1,0,0,0,0|2,0,0]=4 10630 B9R0.2 CSCCNCCC(C)O 2230a_200000755665_100000751147 [1,1,0,0,0,0|2,0,0]=4 10631 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [1,1,0,0,0,0|1,0,1]=4 10632 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [1,1,0,0,0,0|1,0,1]=4 10633 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [1,1,0,0,0,0|1,0,1]=4 10634 B9R0.2 CSCCOCCC(C)Br 34a_100009893172_100000212216 [1,1,0,0,0,0|1,0,0]=3 10635 B9R0.2 CSCCOCCC(C)C 34a_100000210254_100000212216 [1,1,0,0,0,0|1,0,0]=3 10636 B9R0.2 CSCCOCCC(C)C 34a_100000230434_100000210312 [1,1,0,0,0,0|1,0,0]=3 10637 B9R0.2 CSCCOCCC(C)C 7a_100000210254_100000212216 [1,1,0,0,0,0|1,0,0]=3 10638 B9R0.2 CSCCOCCC(C)C 7a_100000230434_100000210626 [1,1,0,0,0,0|1,0,0]=3 10639 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [1,1,0,0,0,0|1,0,0]=3 10640 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [1,1,0,0,0,0|1,0,0]=3 10641 B9R0.2 CSCCOCCC(F)F 34a_100103093639_100000212216 [1,1,0,0,0,0|2,0,0]=4 10642 B9R0.2 CSCCOCCN(C)C 7a_100000230434_100000755713 [1,1,0,0,0,0|2,0,0]=4 10643 B9R0.2 CSCCOCC[C@@H](C)N 34a_100000706166_100000212216 [1,1,0,0,0,0|1,0,0]=3 10644 B9R0.2 CSCCOCOC(C)C 34a_100000230434_100000709892 [1,1,0,0,0,0|2,0,0]=4 10645 B9R0.2 CSCCSCCC(C)C 62a_100000210312_100000751147 [1,1,0,0,0,0|1,1,0]=4 10646 B9R0.2 CSCCSCCC(C)C 62a_100000212216_100000210312 [1,1,0,0,0,0|1,1,0]=4 10647 B9R0.2 CSCCSCCC(C)O 62a_100000212216_100012276601 [1,1,0,0,0,0|1,1,0]=4 10648 B9R0.2 CSCCSCCC(C)O 62a_100012276601_100000751147 [1,1,0,0,0,0|1,1,0]=4 10649 B9R0.2 CSCNCCCC(C)C 2230a_200000737386_100011218213 [1,1,0,0,0,0|2,0,0]=4 10650 B9R0.2 CSCNCCCC(C)C 34a_200000737386_100011218213 [1,1,0,0,0,0|2,0,0]=4 10651 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [1,1,0,0,0,0|1,0,1]=4 10652 B9R0.2 CSCOCCCC(C)C 34a_100000210774_100011218213 [1,1,0,0,0,0|1,0,0]=3 10653 B9R0.2 CSCOCCNC(C)C 34a_100000224655_100011218213 [1,1,0,0,0,0|2,0,0]=4 10654 B9R0.2 CSCOCCOC(C)C 34a_100000211219_100011218213 [1,1,0,0,0,0|2,0,0]=4 10655 B9R0.2 CSCOCCSC(C)C 34a_200011212901_100011218213 [1,1,0,0,0,0|2,0,0]=4 10656 B9R0.2 CSCSCCCC(C)C 62a_100011214892_100011218213 [1,1,0,0,0,0|1,1,0]=4 10657 B9R0.2 CSCSCCCC(C)C 62a_100011218213_100011214892 [1,1,0,0,0,0|1,1,0]=4 10658 B9R0.2 CSCSCCCC(C)O 62a_100011218213_200000718107 [1,1,0,0,0,0|1,1,0]=4 10659 B9R0.2 CSCSCCCC(C)O 62a_200000718107_100011218213 [1,1,0,0,0,0|1,1,0]=4 10660 B9R0.2 C[C@@H](Cl)COCCCCF 34a_100016084084_100000729493 [1,1,0,0,0,0|1,0,0]=3 10661 B9R0.2 C[C@@H](Cl)COCCCCO 34a_100016084084_100011216708 [1,1,0,0,0,0|1,0,0]=3 10662 B9R0.2 C[C@@H](N)CCOCCCF 34a_100000706166_100011934791 [1,1,0,0,0,0|1,0,0]=3 10663 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [1,1,0,0,0,0|1,0,0]=3 10664 B9R0.2 C[C@@H](N)COCCCCF 34a_100000737577_100000729493 [1,1,0,0,0,0|1,0,0]=3 10665 B9R0.2 C[C@@H](N)COCCCCO 34a_100000737577_100011216708 [1,1,0,0,0,0|1,0,0]=3 10666 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [1,1,0,0,0,0|2,0,0]=4 10667 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [1,1,0,0,0,0|2,0,0]=4 10668 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [1,1,0,0,0,0|1,0,0]=3 10669 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [1,1,0,0,0,0|1,0,0]=3 10670 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [1,1,0,0,0,0|1,0,0]=3 10671 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [1,1,0,0,0,0|1,0,0]=3 10672 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [1,1,0,0,0,0|1,0,0]=3 10673 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [1,1,0,0,0,0|1,0,0]=3 10674 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [1,1,0,0,0,0|1,0,0]=3 10675 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [1,1,0,0,0,0|1,1,0]=4 10676 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [1,1,0,0,0,0|1,1,0]=4 10677 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [1,1,0,0,0,0|1,1,0]=4 10678 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [1,1,0,0,0,0|1,1,0]=4 10679 B9R0.2 FC(F)COCCCCBr 34a_100011216708_100011934356 [1,1,0,0,0,0|2,0,0]=4 10680 B9R0.2 FC(F)COCCCCCl 34a_100000210776_100011934356 [1,1,0,0,0,0|2,0,0]=4 10681 B9R0.2 FC(F)COCCCCCl 7a_100000210776_100011934356 [1,1,0,0,0,0|2,0,0]=4 10682 B9R0.2 FC(F)COCCCCI 34a_200012148704_100011934356 [1,1,0,0,0,0|2,0,0]=4 10683 B9R0.2 FCCCCOCC(F)F 34a_100000743014_100000729493 [1,1,0,0,0,0|2,0,0]=4 10684 B9R0.2 FCCCCOCC(F)F 34a_100011995726_100011934356 [1,1,0,0,0,0|2,0,0]=4 10685 B9R0.2 FCCCCOCC(F)F 7a_100011995726_100011934356 [1,1,0,0,0,0|2,0,0]=4 10686 B9R0.2 FCCCOCCC(F)F 34a_100103093639_100011934791 [1,1,0,0,0,0|2,0,0]=4 10687 B9R0.2 NCCCCOCC(F)F 34a_100000750430_100011934356 [1,1,0,0,0,0|2,0,0]=4 10688 B9R0.2 OCCCCOCC(F)F 34a_100000743014_100011216708 [1,1,0,0,0,0|2,0,0]=4 10689 B9R0.2 OCCCOCCC(F)F 34a_100103093639_100000230001 [1,1,0,0,0,0|2,0,0]=4 10690 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,1,0,0,0,0|1,0,1]=4 10691 B9R0.5 C#CCC(C)OCCCC 34a_100000685586_100000210210 [1,1,0,0,0,0|0,0,2]=4 10692 B9R0.5 C#CCC(C)OCCCC 7a_100000685586_100000210211 [1,1,0,0,0,0|0,0,2]=4 10693 B9R0.5 C#CCCOC(C)CCC 34a_100000764384_100000688953 [1,1,0,0,0,0|0,0,2]=4 10694 B9R0.5 C#CCCOC(C)CCC 34a_100011215631_100000766640 [1,1,0,0,0,0|0,0,2]=4 10695 B9R0.5 C#CCCOC(C)CCC 7a_100000764384_100000688953 [1,1,0,0,0,0|0,0,2]=4 10696 B9R0.5 C#CCOCC(C)CCC 34a_100000210247_100011216630 [1,1,0,0,0,0|0,0,2]=4 10697 B9R0.5 C#CCOCC(C)CCC 34a_100000688023_100000184674 [1,1,0,0,0,0|0,0,2]=4 10698 B9R0.5 C#CCOCC(C)CCC 7a_100000688023_100000038162 [1,1,0,0,0,0|0,0,2]=4 10699 B9R0.5 C#CCOC[C@@H](N)CCC 34a_100000732646_100000184674 [1,1,0,0,0,0|0,0,2]=4 10700 B9R0.5 C/C=C/C(C)OCCCC 34a_200102604097_100000210210 [1,1,0,0,0,0|0,0,2]=4 10701 B9R0.5 C/C=C/COC(C)CCC 34a_100000764384_100102629194 [1,1,0,0,0,0|0,0,2]=4 10702 B9R0.5 C/C=C/COC(C)CCC 34a_100016270725_100000766640 [1,1,0,0,0,0|0,0,2]=4 10703 B9R0.5 C/C=C/COC(C)CCC 7a_100000764384_100102629194 [1,1,0,0,0,0|0,0,2]=4 10704 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [1,1,0,0,0,0|0,0,2]=4 10705 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [1,1,0,0,0,0|0,0,2]=4 10706 B9R0.5 C=CCCOC(C)CCC 34a_100000764384_100000754431 [1,1,0,0,0,0|0,0,2]=4 10707 B9R0.5 C=CCCOC(C)CCC 34a_100011205117_100000766640 [1,1,0,0,0,0|0,0,2]=4 10708 B9R0.5 C=CCCOC(C)CCC 7a_100000764384_100000754431 [1,1,0,0,0,0|0,0,2]=4 10709 B9R0.5 C=CCOCC(C)CCC 34a_100000688023_100015514636 [1,1,0,0,0,0|0,0,2]=4 10710 B9R0.5 C=CCOCC(C)CCC 34a_200000210373_100011216630 [1,1,0,0,0,0|0,0,2]=4 10711 B9R0.5 C=CCOCC(C)CCC 7a_100000688023_100015514636 [1,1,0,0,0,0|0,0,2]=4 10712 B9R0.5 C=CCOC[C@@H](N)CCC 34a_100000732646_100015514636 [1,1,0,0,0,0|0,0,2]=4 10713 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [1,1,0,0,0,0|0,0,2]=4 10714 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [1,1,0,0,0,0|0,0,2]=4 10715 B9R0.5 C=CC[C@@H](N)COCCC 34a_100020615467_100000210303 [1,1,0,0,0,0|0,0,2]=4 10716 B9R0.5 CC#CC(C)OCCCC 34a_100011216543_100000210210 [1,1,0,0,0,0|0,0,2]=4 10717 B9R0.5 CC#CCOC(C)CCC 34a_100000761923_100000766640 [1,1,0,0,0,0|0,0,2]=4 10718 B9R0.5 CC#CCOC(C)CCC 34a_100000764384_100000748600 [1,1,0,0,0,0|0,0,2]=4 10719 B9R0.5 CC#CCOC(C)CCC 7a_100000764384_100000748600 [1,1,0,0,0,0|0,0,2]=4 10720 B9R0.5 CC(CCBr)OCCCF 34a_100012276601_100011934791 [1,1,0,0,0,0|2,0,0]=4 10721 B9R0.5 CC(CCBr)OCCCO 34a_100012276601_100000230001 [1,1,0,0,0,0|2,0,0]=4 10722 B9R0.5 CC(CCN)COCCF 34a_106354213184_100011217306 [1,1,0,0,0,0|2,0,0]=4 10723 B9R0.5 CC(CCN)COCCO 34a_106354213184_100000211926 [1,1,0,0,0,0|2,0,0]=4 10724 B9R0.5 CC(CCO)OCCCBr 34a_100011217188_100009893172 [1,1,0,0,0,0|2,0,0]=4 10725 B9R0.5 CC(CCO)OCCCCl 34a_100000230001_100009893172 [1,1,0,0,0,0|2,0,0]=4 10726 B9R0.5 CC(CCO)OCCCF 34a_100000759539_100009893172 [1,1,0,0,0,0|2,0,0]=4 10727 B9R0.5 CC(CCO)OCCCN 34a_100000182051_100009893172 [1,1,0,0,0,0|2,0,0]=4 10728 B9R0.5 CC=CCOC(C)CCC 34a_100000764384_100000070051 [1,1,0,0,0,0|0,0,2]=4 10729 B9R0.5 CC=CCOC(C)CCC 7a_100000764384_100000070051 [1,1,0,0,0,0|0,0,2]=4 10730 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,1,0,0,0,0|1,0,1]=4 10731 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,1,0,0,0,0|1,0,1]=4 10732 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,1,0,0,0,0|1,0,1]=4 10733 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,1,0,0,0,0|1,0,1]=4 10734 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,1,0,0,0,0|1,0,1]=4 10735 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,1,0,0,0,0|1,0,1]=4 10736 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,1,0,0,0,0|1,0,1]=4 10737 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,1,0,0,0,0|1,0,1]=4 10738 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,1,0,0,0,0|1,0,1]=4 10739 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,1,0,0,0,0|1,0,1]=4 10740 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [1,1,0,0,0,0|1,0,1]=4 10741 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [1,1,0,0,0,0|1,0,1]=4 10742 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [1,1,0,0,0,0|1,0,1]=4 10743 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [1,1,0,0,0,0|1,0,1]=4 10744 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [1,1,0,0,0,0|1,0,0]=3 10745 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [1,1,0,0,0,0|1,0,0]=3 10746 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [1,1,0,0,0,0|1,0,0]=3 10747 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [1,1,0,0,0,0|1,0,0]=3 10748 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [1,1,0,0,0,0|1,0,0]=3 10749 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [1,1,0,0,0,0|1,0,0]=3 10750 B9R0.5 CCCC(C)CCOCF 34a_100011217855_100015361967 [1,1,0,0,0,0|2,0,0]=4 10751 B9R0.5 CCCC(C)CCOCF 7a_100011217855_100015361967 [1,1,0,0,0,0|2,0,0]=4 10752 B9R0.5 CCCC(C)CNCCF 34a_100000724931_100011216630 [1,1,0,0,0,0|2,0,0]=4 10753 B9R0.5 CCCC(C)CNCCO 2230a_100016997473_100011216630 [1,1,0,0,0,0|2,0,0]=4 10754 B9R0.5 CCCC(C)CNCCO 270004a_100000210304_100000243154 [1,1,0,0,0,0|2,0,0]=4 10755 B9R0.5 CCCC(C)CNCCO 34a_100016990907_100011216630 [1,1,0,0,0,0|2,0,0]=4 10756 B9R0.5 CCCC(C)COCC#N 7a_100000688023_100011215382 [1,1,0,0,0,0|1,0,1]=4 10757 B9R0.5 CCCC(C)COCC=O 34a_100000688023_200009817547 [1,1,0,0,0,0|1,0,1]=4 10758 B9R0.5 CCCC(C)COCC=O 7a_100000688023_200015260668 [1,1,0,0,0,0|1,0,1]=4 10759 B9R0.5 CCCC(C)COCCBr 34a_100000211926_100011216630 [1,1,0,0,0,0|1,0,0]=3 10760 B9R0.5 CCCC(C)COCCF 34a_100000688023_100011217306 [1,1,0,0,0,0|1,0,0]=3 10761 B9R0.5 CCCC(C)COCCF 7a_100000688023_100011217306 [1,1,0,0,0,0|1,0,0]=3 10762 B9R0.5 CCCC(C)COCCN 34a_100000210304_100011216630 [1,1,0,0,0,0|1,0,0]=3 10763 B9R0.5 CCCC(C)COCCO 34a_100000688023_100000211926 [1,1,0,0,0,0|1,0,0]=3 10764 B9R0.5 CCCC(C)COCCO 7a_100000688023_100000211926 [1,1,0,0,0,0|1,0,0]=3 10765 B9R0.5 CCCC(C)COCSC 34a_100000688023_100011218213 [1,1,0,0,0,0|1,0,0]=3 10766 B9R0.5 CCCC(C)CSCCF 62a_100011216630_100011217306 [1,1,0,0,0,0|1,1,0]=4 10767 B9R0.5 CCCC(C)CSCCF 62a_100011217306_100011216630 [1,1,0,0,0,0|1,1,0]=4 10768 B9R0.5 CCCC(C)CSCCO 62a_100000211926_100011216630 [1,1,0,0,0,0|1,1,0]=4 10769 B9R0.5 CCCC(C)CSCCO 62a_100011216630_100000211926 [1,1,0,0,0,0|1,1,0]=4 10770 B9R0.5 CCCC(C)CSCOC 62a_100000766300_100011216630 [1,1,0,0,0,0|1,1,0]=4 10771 B9R0.5 CCCC(C)CSCOC 62a_100011216630_100000766300 [1,1,0,0,0,0|1,1,0]=4 10772 B9R0.5 CCCC(C)CSCSC 62a_100011216630_100011218213 [1,1,0,0,0,0|1,1,0]=4 10773 B9R0.5 CCCC(C)CSCSC 62a_100011218213_100011216630 [1,1,0,0,0,0|1,1,0]=4 10774 B9R0.5 CCCC(C)NCCCF 2230a_100000741246_100011934791 [1,1,0,0,0,0|2,0,0]=4 10775 B9R0.5 CCCC(C)NCCCF 2230a_100015189416_100000766640 [1,1,0,0,0,0|2,0,0]=4 10776 B9R0.5 CCCC(C)NCCCF 270004a_100015189416_100000211909 [1,1,0,0,0,0|2,0,0]=4 10777 B9R0.5 CCCC(C)NCCCF 34a_100015189416_100000766640 [1,1,0,0,0,0|2,0,0]=4 10778 B9R0.5 CCCC(C)NCCCO 2230a_100000741246_100000230001 [1,1,0,0,0,0|2,0,0]=4 10779 B9R0.5 CCCC(C)NCCCO 270004a_100000182051_100000211909 [1,1,0,0,0,0|2,0,0]=4 10780 B9R0.5 CCCC(C)NCCOC 2230a_100000209980_100000766640 [1,1,0,0,0,0|2,0,0]=4 10781 B9R0.5 CCCC(C)NCCOC 2230a_100000741246_100011201679 [1,1,0,0,0,0|2,0,0]=4 10782 B9R0.5 CCCC(C)NCCOC 270004a_100000209980_100000211909 [1,1,0,0,0,0|2,0,0]=4 10783 B9R0.5 CCCC(C)NCCSC 2230a_100000741246_100000751147 [1,1,0,0,0,0|2,0,0]=4 10784 B9R0.5 CCCC(C)NCCSC 2230a_100020590264_100000766640 [1,1,0,0,0,0|2,0,0]=4 10785 B9R0.5 CCCC(C)NCCSC 270004a_100020590264_100000211909 [1,1,0,0,0,0|2,0,0]=4 10786 B9R0.5 CCCC(C)OCCC#N 7a_100000764384_100000184422 [1,1,0,0,0,0|1,0,1]=4 10787 B9R0.5 CCCC(C)OCCCBr 34a_100011217188_100000766640 [1,1,0,0,0,0|1,0,0]=3 10788 B9R0.5 CCCC(C)OCCCCl 34a_100000230001_100000766640 [1,1,0,0,0,0|1,0,0]=3 10789 B9R0.5 CCCC(C)OCCCF 34a_100000759539_100000766640 [1,1,0,0,0,0|1,0,0]=3 10790 B9R0.5 CCCC(C)OCCCF 34a_100000764384_100011934791 [1,1,0,0,0,0|1,0,0]=3 10791 B9R0.5 CCCC(C)OCCCF 7a_100000764384_100011934791 [1,1,0,0,0,0|1,0,0]=3 10792 B9R0.5 CCCC(C)OCCCN 34a_100000182051_100000766640 [1,1,0,0,0,0|1,0,0]=3 10793 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [1,1,0,0,0,0|1,0,0]=3 10794 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [1,1,0,0,0,0|1,0,0]=3 10795 B9R0.5 CCCC(C)OCCOC 34a_100000210237_100000766640 [1,1,0,0,0,0|1,0,0]=3 10796 B9R0.5 CCCC(C)OCCOC 34a_100000764384_100011201679 [1,1,0,0,0,0|1,0,0]=3 10797 B9R0.5 CCCC(C)OCCOC 7a_100000764384_100000233755 [1,1,0,0,0,0|1,0,0]=3 10798 B9R0.5 CCCC(C)OCCON 34a_100000700252_100000766640 [1,1,0,0,0,0|2,0,0]=4 10799 B9R0.5 CCCC(C)OCCSC 34a_100000230434_100000766640 [1,1,0,0,0,0|1,0,0]=3 10800 B9R0.5 CCCC(C)OCCSC 34a_100000764384_100000212216 [1,1,0,0,0,0|1,0,0]=3 10801 B9R0.5 CCCC(C)OCCSC 7a_100000230434_100000766640 [1,1,0,0,0,0|1,0,0]=3 10802 B9R0.5 CCCC(C)OCCSC 7a_100000764384_100000212216 [1,1,0,0,0,0|1,0,0]=3 10803 B9R0.5 CCCC(C)SCCCF 62a_100000766640_100011934791 [1,1,0,0,0,0|1,1,0]=4 10804 B9R0.5 CCCC(C)SCCCF 62a_100011934791_100000766640 [1,1,0,0,0,0|1,1,0]=4 10805 B9R0.5 CCCC(C)SCCCO 62a_100000766640_100011215043 [1,1,0,0,0,0|1,1,0]=4 10806 B9R0.5 CCCC(C)SCCCO 62a_100011215043_100000766640 [1,1,0,0,0,0|1,1,0]=4 10807 B9R0.5 CCCC(C)SCCOC 62a_100000233755_100000766640 [1,1,0,0,0,0|1,1,0]=4 10808 B9R0.5 CCCC(C)SCCOC 62a_100000766640_100000233755 [1,1,0,0,0,0|1,1,0]=4 10809 B9R0.5 CCCC(C)SCCSC 62a_100000212216_100000766640 [1,1,0,0,0,0|1,1,0]=4 10810 B9R0.5 CCCC(C)SCCSC 62a_100000766640_100000751147 [1,1,0,0,0,0|1,1,0]=4 10811 B9R0.5 CCCC(C)SCOCC 62a_100000739092_100000766640 [1,1,0,0,0,0|1,1,0]=4 10812 B9R0.5 CCCC(C)SCOCC 62a_100000766640_100000739092 [1,1,0,0,0,0|1,1,0]=4 10813 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,1,0,0,0,0|0,0,1]=3 10814 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,1,0,0,0,0|0,0,1]=3 10815 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,1,0,0,0,0|1,0,1]=4 10816 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,1,0,0,0,0|1,0,1]=4 10817 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,1,0,0,0,0|1,0,1]=4 10818 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,1,0,0,0,0|1,0,1]=4 10819 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,1,0,0,0,0|1,0,1]=4 10820 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,1,0,0,0,0|1,0,1]=4 10821 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,1,0,0,0,0|1,0,1]=4 10822 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,1,0,0,0,0|1,0,1]=4 10823 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,1,0,0,0,0|1,0,1]=4 10824 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,1,0,0,0,0|1,0,1]=4 10825 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,1,0,0,0,0|1,0,1]=4 10826 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,1,0,0,0,0|1,0,1]=4 10827 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,1,0,0,0,0|1,0,1]=4 10828 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 10829 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 10830 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 10831 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [1,1,0,0,0,0|1,0,0]=3 10832 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [1,1,0,0,0,0|1,0,0]=3 10833 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [1,1,0,0,0,0|1,0,0]=3 10834 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [1,1,0,0,0,0|1,0,0]=3 10835 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [1,1,0,0,0,0|1,0,0]=3 10836 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [1,1,0,0,0,0|1,0,0]=3 10837 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [1,1,0,0,0,0|2,0,0]=4 10838 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [1,1,0,0,0,0|2,0,0]=4 10839 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [1,1,0,0,0,0|1,0,0]=3 10840 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [1,1,0,0,0,0|1,0,0]=3 10841 B9R0.5 CCCCCC(C)SCF 62a_100015361967_200011218191 [1,1,0,0,0,0|2,0,0]=4 10842 B9R0.5 CCCCCC(C)SCF 62a_200011218191_100015361967 [1,1,0,0,0,0|2,0,0]=4 10843 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [1,1,0,0,0,0|1,0,0]=3 10844 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [1,1,0,0,0,0|1,0,0]=3 10845 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [1,1,0,0,0,0|1,0,0]=3 10846 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [1,1,0,0,0,0|1,0,0]=3 10847 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [1,1,0,0,0,0|1,0,0]=3 10848 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [1,1,0,0,0,0|1,0,0]=3 10849 B9R0.5 CCCCCN(C)CCF 2230a_100000223495_100011217306 [1,1,0,0,0,0|2,0,0]=4 10850 B9R0.5 CCCCCN(C)CCF 269982a_100000223495_100011217306 [1,1,0,0,0,0|2,0,0]=4 10851 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [1,1,0,0,0,0|2,0,0]=4 10852 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [1,1,0,0,0,0|2,0,0]=4 10853 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [1,1,0,0,0,0|2,0,0]=4 10854 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [1,1,0,0,0,0|2,0,0]=4 10855 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [1,1,0,0,0,0|2,0,0]=4 10856 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [1,1,0,0,0,0|2,0,0]=4 10857 B9R0.5 CCCCCN(C)COC 2230a_100000223495_100000766300 [1,1,0,0,0,0|2,0,0]=4 10858 B9R0.5 CCCCCN(C)COC 269982a_100000223495_100000766300 [1,1,0,0,0,0|2,0,0]=4 10859 B9R0.5 CCCCCN(C)CSC 2230a_100000223495_100011218213 [1,1,0,0,0,0|2,0,0]=4 10860 B9R0.5 CCCCCN(C)CSC 269982a_100000223495_100011218213 [1,1,0,0,0,0|2,0,0]=4 10861 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [1,1,0,0,0,0|1,0,0]=3 10862 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [1,1,0,0,0,0|1,0,0]=3 10863 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [1,1,0,0,0,0|2,0,0]=4 10864 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [1,1,0,0,0,0|2,0,0]=4 10865 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 10866 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 10867 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 10868 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 10869 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [1,1,0,0,0,0|1,0,0]=3 10870 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [1,1,0,0,0,0|1,0,0]=3 10871 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [1,1,0,0,0,0|1,0,0]=3 10872 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [1,1,0,0,0,0|1,0,0]=3 10873 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [1,1,0,0,0,0|2,0,0]=4 10874 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [1,1,0,0,0,0|2,0,0]=4 10875 B9R0.5 CCCCNC(C)COC 2230a_100000102301_100000765312 [1,1,0,0,0,0|2,0,0]=4 10876 B9R0.5 CCCCNC(C)COC 270004a_100000102301_100000749346 [1,1,0,0,0,0|2,0,0]=4 10877 B9R0.5 CCCCNC(C)COC 7a_106832991798_100000765312 [1,1,0,0,0,0|2,0,0]=4 10878 B9R0.5 CCCCNC(C)CSC 270004a_100000102301_100011216314 [1,1,0,0,0,0|2,0,0]=4 10879 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [1,1,0,0,0,0|2,0,0]=4 10880 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [1,1,0,0,0,0|2,0,0]=4 10881 B9R0.5 CCCCN[C@H](C)COC 2230a_100000764878_100000210211 [1,1,0,0,0,0|2,0,0]=4 10882 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [1,1,0,0,0,0|1,0,1]=4 10883 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [1,1,0,0,0,0|1,0,1]=4 10884 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [1,1,0,0,0,0|1,0,1]=4 10885 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [1,1,0,0,0,0|1,0,1]=4 10886 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [1,1,0,0,0,0|1,0,1]=4 10887 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [1,1,0,0,0,0|1,0,1]=4 10888 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [1,1,0,0,0,0|1,0,1]=4 10889 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [1,1,0,0,0,0|1,0,1]=4 10890 B9R0.5 CCCCOC(C)CC#N 7a_100000210227_100009813641 [1,1,0,0,0,0|1,0,1]=4 10891 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [1,1,0,0,0,0|1,0,0]=3 10892 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [1,1,0,0,0,0|0,0,0]=2 10893 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [1,1,0,0,0,0|0,0,0]=2 10894 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [1,1,0,0,0,0|0,0,0]=2 10895 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [1,1,0,0,0,0|0,0,0]=2 10896 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [1,1,0,0,0,0|1,0,0]=3 10897 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [1,1,0,0,0,0|1,0,0]=3 10898 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [1,1,0,0,0,0|1,0,0]=3 10899 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [1,1,0,0,0,0|1,0,0]=3 10900 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [1,1,0,0,0,0|1,0,0]=3 10901 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [1,1,0,0,0,0|0,1,0]=3 10902 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [1,1,0,0,0,0|0,1,0]=3 10903 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [1,1,0,0,0,0|1,1,0]=4 10904 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [1,1,0,0,0,0|1,1,0]=4 10905 B9R0.5 CCCCSC(C)COC 62a_100000210211_100000765312 [1,1,0,0,0,0|1,1,0]=4 10906 B9R0.5 CCCCSC(C)COC 62a_100000765312_100000210210 [1,1,0,0,0,0|1,1,0]=4 10907 B9R0.5 CCCN(C)CCCCF 2230a_100000747261_100000729493 [1,1,0,0,0,0|2,0,0]=4 10908 B9R0.5 CCCN(C)CCCCF 269982a_100000747261_100000729493 [1,1,0,0,0,0|2,0,0]=4 10909 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [1,1,0,0,0,0|2,0,0]=4 10910 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [1,1,0,0,0,0|2,0,0]=4 10911 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [1,1,0,0,0,0|2,0,0]=4 10912 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [1,1,0,0,0,0|2,0,0]=4 10913 B9R0.5 CCCN(C)CCCOC 2230a_100000224831_100000210303 [1,1,0,0,0,0|2,0,0]=4 10914 B9R0.5 CCCN(C)CCCOC 2230a_100000747261_100000740836 [1,1,0,0,0,0|2,0,0]=4 10915 B9R0.5 CCCN(C)CCCOC 269982a_100000224831_100000210303 [1,1,0,0,0,0|2,0,0]=4 10916 B9R0.5 CCCN(C)CCCOC 269982a_100000747261_100000740836 [1,1,0,0,0,0|2,0,0]=4 10917 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [1,1,0,0,0,0|2,0,0]=4 10918 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [1,1,0,0,0,0|2,0,0]=4 10919 B9R0.5 CCCN(C)CCSCC 2230a_100000747261_100000757381 [1,1,0,0,0,0|2,0,0]=4 10920 B9R0.5 CCCN(C)CCSCC 269982a_100000747261_100000757381 [1,1,0,0,0,0|2,0,0]=4 10921 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [1,1,0,0,0,0|1,0,0]=3 10922 B9R0.5 CCCNCC(O)COC 2230a_100000756049_100000210303 [1,1,0,0,0,0|2,0,0]=4 10923 B9R0.5 CCCNCC(O)COC 34a_100000756049_100000210303 [1,1,0,0,0,0|2,0,0]=4 10924 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,1,0,0,0,0|0,0,1]=3 10925 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [1,1,0,0,0,0|1,0,1]=4 10926 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,1,0,0,0,0|1,0,1]=4 10927 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [1,1,0,0,0,0|1,0,1]=4 10928 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [1,1,0,0,0,0|1,0,1]=4 10929 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [1,1,0,0,0,0|1,0,1]=4 10930 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [1,1,0,0,0,0|1,0,1]=4 10931 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,1,0,0,0,0|1,0,1]=4 10932 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [1,1,0,0,0,0|0,0,0]=2 10933 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [1,1,0,0,0,0|0,0,0]=2 10934 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [1,1,0,0,0,0|0,0,0]=2 10935 B9R0.5 CCCOCC(C)CCN 34a_106354213184_100000210303 [1,1,0,0,0,0|1,0,0]=3 10936 B9R0.5 CCCOCC(N)COC 34a_100000724102_100000210303 [1,1,0,0,0,0|1,0,0]=3 10937 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [1,1,0,0,0,0|1,0,0]=3 10938 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [1,1,0,0,0,0|0,0,0]=2 10939 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,1,0,0,0,0|0,1,1]=4 10940 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,1,0,0,0,0|0,1,1]=4 10941 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,1,0,0,0,0|0,1,1]=4 10942 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [1,1,0,0,0,0|0,1,0]=3 10943 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [1,1,0,0,0,0|0,1,0]=3 10944 B9R0.5 CCCSCC(C)NCC 270004a_100015525214_100011343953 [1,1,0,0,0,0|1,1,0]=4 10945 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [1,1,0,0,0,0|1,1,0]=4 10946 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [1,1,0,0,0,0|1,1,0]=4 10947 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [1,1,0,0,0,0|1,0,0]=3 10948 B9R0.5 CCC[C@H](N)CCOCF 34a_100015193777_100015361967 [1,1,0,0,0,0|2,0,0]=4 10949 B9R0.5 CCC[C@H](N)COCC=O 34a_100000732646_200009817547 [1,1,0,0,0,0|1,0,1]=4 10950 B9R0.5 CCC[C@H](N)COCCF 34a_100000732646_100011217306 [1,1,0,0,0,0|1,0,0]=3 10951 B9R0.5 CCC[C@H](N)COCCO 34a_100000732646_100000211926 [1,1,0,0,0,0|1,0,0]=3 10952 B9R0.5 CCC[C@H](N)COCSC 34a_100000732646_100011218213 [1,1,0,0,0,0|1,0,0]=3 10953 B9R0.5 CCNC(C)CCCSC 270004a_100015525214_100011399439 [1,1,0,0,0,0|2,0,0]=4 10954 B9R0.5 CCNC(C)CCOCC 270004a_100015525214_200011216536 [1,1,0,0,0,0|2,0,0]=4 10955 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [1,1,0,0,0,0|2,0,0]=4 10956 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [1,1,0,0,0,0|2,0,0]=4 10957 B9R0.5 COCC(C)OCCCBr 34a_100011217188_100000765312 [1,1,0,0,0,0|2,0,0]=4 10958 B9R0.5 COCC(C)OCCCCl 34a_100000230001_100000765312 [1,1,0,0,0,0|2,0,0]=4 10959 B9R0.5 COCC(C)OCCCF 34a_100000759539_100000765312 [1,1,0,0,0,0|2,0,0]=4 10960 B9R0.5 COCC(C)OCCCN 34a_100000182051_100000765312 [1,1,0,0,0,0|2,0,0]=4 10961 B9R0.5 COCC(C)OCCSC 34a_100000230434_100000765312 [1,1,0,0,0,0|2,0,0]=4 10962 B9R0.5 COCC(C)OCCSC 7a_100000230434_100000765312 [1,1,0,0,0,0|2,0,0]=4 10963 B9R0.5 COCC(N)COCCF 34a_100000724102_100011217306 [1,1,0,0,0,0|2,0,0]=4 10964 B9R0.5 COCC(N)COCCO 34a_100000724102_100000211926 [1,1,0,0,0,0|2,0,0]=4 10965 B9R0.5 COCC(N)COCSC 34a_100000724102_100011218213 [1,1,0,0,0,0|2,0,0]=4 10966 B9R0.5 COCC(O)COCCBr 34a_100000211926_100011215053 [1,1,0,0,0,0|2,0,0]=4 10967 B9R0.5 COCC(O)COCCN 34a_100000210304_100011215053 [1,1,0,0,0,0|2,0,0]=4 10968 B9R0.5 COCCOC(C)CCBr 34a_100012276601_100011201679 [1,1,0,0,0,0|2,0,0]=4 10969 B9R0.5 COCCOC(C)CCO 34a_100000210237_100009893172 [1,1,0,0,0,0|2,0,0]=4 10970 B9R0.5 COCCOC(C)COC 34a_100000210237_100000765312 [1,1,0,0,0,0|2,0,0]=4 10971 B9R0.5 COCCO[C@H](C)COC 34a_100011934205_100011201679 [1,1,0,0,0,0|2,0,0]=4 10972 B9R0.5 COC[C@@H](C)OCCCF 34a_100011934205_100011934791 [1,1,0,0,0,0|2,0,0]=4 10973 B9R0.5 COC[C@@H](C)OCCCO 34a_100011934205_100000230001 [1,1,0,0,0,0|2,0,0]=4 10974 B9R0.5 COC[C@@H](C)OCCSC 34a_100011934205_100000212216 [1,1,0,0,0,0|2,0,0]=4 10975 B9R0.5 COC[C@@H](N)CCCCN 34a_100016993712_200000210301 [1,1,0,0,0,0|2,0,0]=4 10976 B9R0.5 CSCCOC(C)CCBr 34a_100012276601_100000212216 [1,1,0,0,0,0|2,0,0]=4 10977 B9R0.5 CSCCOC(C)CCO 34a_100000230434_100009893172 [1,1,0,0,0,0|2,0,0]=4 10978 B9R0.5 CSCCOC(C)CCO 7a_100000230434_100009893172 [1,1,0,0,0,0|2,0,0]=4 10979 B9R0.5 CSCOCC(C)CCN 34a_106354213184_100011218213 [1,1,0,0,0,0|2,0,0]=4 10980 B9R0.5 [13CH3]OC[C@@H](N)CCCCN 34a_100016993712_200025704644 [1,1,0,0,0,0|2,0,0]=4 10981 B9R0.18 C#CCOC(C)CCCC 34a_100000210247_200011215066 [1,1,0,0,0,0|0,0,2]=4 10982 B9R0.18 C#CCOC(C)CCCC 34a_100000687866_100000184674 [1,1,0,0,0,0|0,0,2]=4 10983 B9R0.18 C#CCOC(C)CCCC 7a_100000687866_100000038162 [1,1,0,0,0,0|0,0,2]=4 10984 B9R0.18 C=CCCC(C)OCCC 34a_100000765329_100000210303 [1,1,0,0,0,0|0,0,2]=4 10985 B9R0.18 C=CCCC(C)OCCC 7a_100000765329_100000210303 [1,1,0,0,0,0|0,0,2]=4 10986 B9R0.18 C=CCOC(C)CCCC 34a_100000687866_100015514636 [1,1,0,0,0,0|0,0,2]=4 10987 B9R0.18 C=CCOC(C)CCCC 34a_200000210373_200011215066 [1,1,0,0,0,0|0,0,2]=4 10988 B9R0.18 C=CCOC(C)CCCC 7a_100000687866_100015514636 [1,1,0,0,0,0|0,0,2]=4 10989 B9R0.18 CC(CCCCl)OCCF 34a_200000718107_100011217306 [1,1,0,0,0,0|2,0,0]=4 10990 B9R0.18 CC(CCCCl)OCCF 7a_200000718107_100011217306 [1,1,0,0,0,0|2,0,0]=4 10991 B9R0.18 CC(CCCCl)OCCO 34a_200000718107_100000211926 [1,1,0,0,0,0|2,0,0]=4 10992 B9R0.18 CC(CCCCl)OCCO 7a_200000718107_100000211926 [1,1,0,0,0,0|2,0,0]=4 10993 B9R0.18 CCC#CC(C)OCCC 34a_100000033903_100000210303 [1,1,0,0,0,0|0,0,2]=4 10994 B9R0.18 CCC#CC(C)OCCC 7a_100000033903_100000210303 [1,1,0,0,0,0|0,0,2]=4 10995 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [1,1,0,0,0,0|0,0,1]=3 10996 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [1,1,0,0,0,0|1,0,1]=4 10997 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [1,1,0,0,0,0|1,0,1]=4 10998 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [1,1,0,0,0,0|1,0,1]=4 10999 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [1,1,0,0,0,0|1,0,1]=4 11000 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [1,1,0,0,0,0|1,0,1]=4 11001 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [1,1,0,0,0,0|1,0,1]=4 11002 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [1,1,0,0,0,0|1,0,1]=4 11003 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [1,1,0,0,0,0|1,0,1]=4 11004 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 11005 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 11006 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 11007 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [1,1,0,0,0,0|1,0,1]=4 11008 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [1,1,0,0,0,0|1,0,0]=3 11009 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [1,1,0,0,0,0|1,0,0]=3 11010 B9R0.18 CCCCC(C)COCF 34a_100011995851_100015361967 [1,1,0,0,0,0|2,0,0]=4 11011 B9R0.18 CCCCC(C)COCF 7a_100011995851_100015361967 [1,1,0,0,0,0|2,0,0]=4 11012 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [1,1,0,0,0,0|1,0,0]=3 11013 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [1,1,0,0,0,0|1,0,0]=3 11014 B9R0.18 CCCCC(C)NCCF 2230a_100000126638_100011217306 [1,1,0,0,0,0|2,0,0]=4 11015 B9R0.18 CCCCC(C)NCCF 34a_100000724931_200011215066 [1,1,0,0,0,0|2,0,0]=4 11016 B9R0.18 CCCCC(C)NCCO 2230a_100000126638_100000211926 [1,1,0,0,0,0|2,0,0]=4 11017 B9R0.18 CCCCC(C)NCCO 2230a_100016997473_200011215066 [1,1,0,0,0,0|2,0,0]=4 11018 B9R0.18 CCCCC(C)NCCO 270004a_100000210304_100000210087 [1,1,0,0,0,0|2,0,0]=4 11019 B9R0.18 CCCCC(C)NCCO 34a_100016990907_200011215066 [1,1,0,0,0,0|2,0,0]=4 11020 B9R0.18 CCCCC(C)NCOC 2230a_100000126638_100000766300 [1,1,0,0,0,0|2,0,0]=4 11021 B9R0.18 CCCCC(C)NCSC 2230a_100000126638_100011218213 [1,1,0,0,0,0|2,0,0]=4 11022 B9R0.18 CCCCC(C)OCC#N 7a_100000687866_100011215382 [1,1,0,0,0,0|1,0,1]=4 11023 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [1,1,0,0,0,0|1,0,1]=4 11024 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [1,1,0,0,0,0|1,0,1]=4 11025 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [1,1,0,0,0,0|1,0,0]=3 11026 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [1,1,0,0,0,0|0,0,0]=2 11027 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [1,1,0,0,0,0|0,0,0]=2 11028 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [1,1,0,0,0,0|0,0,0]=2 11029 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [1,1,0,0,0,0|1,0,0]=3 11030 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [1,1,0,0,0,0|1,0,0]=3 11031 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [1,1,0,0,0,0|1,0,0]=3 11032 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [1,1,0,0,0,0|1,0,0]=3 11033 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [1,1,0,0,0,0|1,0,0]=3 11034 B9R0.18 CCCCC(C)OCSC 34a_100000687866_100011218213 [1,1,0,0,0,0|1,0,0]=3 11035 B9R0.18 CCCCC(C)SCCC 62a_100000210303_200011215066 [1,1,0,0,0,0|0,1,0]=3 11036 B9R0.18 CCCCC(C)SCCC 62a_200011215066_100000210303 [1,1,0,0,0,0|0,1,0]=3 11037 B9R0.18 CCCCC(C)SCCF 62a_100011217306_200011215066 [1,1,0,0,0,0|1,1,0]=4 11038 B9R0.18 CCCCC(C)SCCF 62a_200011215066_100011217306 [1,1,0,0,0,0|1,1,0]=4 11039 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [1,1,0,0,0,0|1,1,0]=4 11040 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [1,1,0,0,0,0|1,1,0]=4 11041 B9R0.18 CCCCC(C)SCOC 62a_100000766300_200011215066 [1,1,0,0,0,0|1,1,0]=4 11042 B9R0.18 CCCCC(C)SCOC 62a_200011215066_100000766300 [1,1,0,0,0,0|1,1,0]=4 11043 B9R0.18 CCCCC(C)SCSC 62a_100011218213_200011215066 [1,1,0,0,0,0|1,1,0]=4 11044 B9R0.18 CCCCC(C)SCSC 62a_200011215066_100011218213 [1,1,0,0,0,0|1,1,0]=4 11045 B9R0.18 CCCCN(C)CCCC 2230a_100000207549_100000210211 [1,1,0,0,0,0|1,0,0]=3 11046 B9R0.18 CCCCN(C)CCCC 2230a_100000684618_200000210301 [1,1,0,0,0,0|1,0,0]=3 11047 B9R0.18 CCCCN(C)CCCC 269982a_100000207549_100000210211 [1,1,0,0,0,0|1,0,0]=3 11048 B9R0.18 CCCCN(C)CCCC 269982a_100000684618_200000210301 [1,1,0,0,0,0|1,0,0]=3 11049 B9R0.18 CCCCN(C)CCCF 2230a_100000207549_100011934791 [1,1,0,0,0,0|2,0,0]=4 11050 B9R0.18 CCCCN(C)CCCF 269982a_100000207549_100011934791 [1,1,0,0,0,0|2,0,0]=4 11051 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [1,1,0,0,0,0|2,0,0]=4 11052 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [1,1,0,0,0,0|2,0,0]=4 11053 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [1,1,0,0,0,0|2,0,0]=4 11054 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [1,1,0,0,0,0|2,0,0]=4 11055 B9R0.18 CCCCN(C)CCOC 2230a_100000207391_200000210301 [1,1,0,0,0,0|2,0,0]=4 11056 B9R0.18 CCCCN(C)CCOC 2230a_100000207549_100011201679 [1,1,0,0,0,0|2,0,0]=4 11057 B9R0.18 CCCCN(C)CCOC 2230a_100000743101_100000210211 [1,1,0,0,0,0|2,0,0]=4 11058 B9R0.18 CCCCN(C)CCOC 269982a_100000207391_200000210301 [1,1,0,0,0,0|2,0,0]=4 11059 B9R0.18 CCCCN(C)CCOC 269982a_100000207549_100000233755 [1,1,0,0,0,0|2,0,0]=4 11060 B9R0.18 CCCCN(C)CCOC 269982a_100000743101_100000210211 [1,1,0,0,0,0|2,0,0]=4 11061 B9R0.18 CCCCN(C)CCSC 2230a_100000207549_100000751147 [1,1,0,0,0,0|2,0,0]=4 11062 B9R0.18 CCCCN(C)CCSC 2230a_100000686725_100000210211 [1,1,0,0,0,0|2,0,0]=4 11063 B9R0.18 CCCCN(C)CCSC 269982a_100000207549_100000212216 [1,1,0,0,0,0|2,0,0]=4 11064 B9R0.18 CCCCN(C)CCSC 269982a_100000686725_100000210211 [1,1,0,0,0,0|2,0,0]=4 11065 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [1,1,0,0,0,0|2,0,0]=4 11066 B9R0.18 CCCCN([13CH3])CCCC 2230a_100000684618_200025704644 [1,1,0,0,0,0|1,0,0]=3 11067 B9R0.18 CCCCN([13CH3])CCCC 269982a_100000684618_200025704644 [1,1,0,0,0,0|1,0,0]=3 11068 B9R0.18 CCCCN([13CH3])CCOC 2230a_100000207391_200025704644 [1,1,0,0,0,0|2,0,0]=4 11069 B9R0.18 CCCCN([13CH3])CCOC 269982a_100000207391_200025704644 [1,1,0,0,0,0|2,0,0]=4 11070 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [1,1,0,0,0,0|1,0,0]=3 11071 B9R0.18 CCCC[C@H](N)COCF 34a_100011934283_100015361967 [1,1,0,0,0,0|2,0,0]=4 11072 B9R0.18 CCCNC(C)CCOC 270004a_100020643023_100000742357 [1,1,0,0,0,0|2,0,0]=4 11073 B9R0.18 CCCNC(C)CCSC 270004a_100020643023_100011217047 [1,1,0,0,0,0|2,0,0]=4 11074 B9R0.18 CCCNC(C)CSCC 270004a_100020643023_200011216171 [1,1,0,0,0,0|2,0,0]=4 11075 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [1,1,0,0,0,0|1,0,1]=4 11076 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [1,1,0,0,0,0|1,0,1]=4 11077 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [1,1,0,0,0,0|1,0,1]=4 11078 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [1,1,0,0,0,0|1,0,1]=4 11079 B9R0.18 CCCOC(C)CCCCl 34a_200000718107_100000210303 [1,1,0,0,0,0|1,0,0]=3 11080 B9R0.18 CCCOC(C)CCCCl 7a_200000718107_100000210303 [1,1,0,0,0,0|1,0,0]=3 11081 B9R0.18 CCCOC(C)CNCC 2230a_100015185124_100000210202 [1,1,0,0,0,0|1,0,0]=3 11082 B9R0.18 CCCOC(C)CNCC 34a_100015185124_100000210202 [1,1,0,0,0,0|1,0,0]=3 11083 B9R0.18 CCCOC(C)CNCF 34a_100015185124_100015361967 [1,1,0,0,0,0|2,0,0]=4 11084 B9R0.18 CCCOC(C)COCC 34a_100000718985_100000210303 [1,1,0,0,0,0|1,0,0]=3 11085 B9R0.18 CCCOC(C)COCC 7a_100000718985_100000210303 [1,1,0,0,0,0|1,0,0]=3 11086 B9R0.18 CCNCC(O)COCC 2230a_102515437182_100000210202 [1,1,0,0,0,0|2,0,0]=4 11087 B9R0.18 CCNCC(O)COCC 34a_102515437182_100000210202 [1,1,0,0,0,0|2,0,0]=4 11088 B9R0.18 CCNC[C@H](C)CCCO 2230a_100160569302_100000210202 [1,1,0,0,0,0|2,0,0]=4 11089 B9R0.18 CCNC[C@H](C)CCCO 34a_100160569302_100000210202 [1,1,0,0,0,0|2,0,0]=4 11090 B9R0.18 CCOCC(C)OCCF 34a_100000718985_100011217306 [1,1,0,0,0,0|2,0,0]=4 11091 B9R0.18 CCOCC(C)OCCF 7a_100000718985_100011217306 [1,1,0,0,0,0|2,0,0]=4 11092 B9R0.18 CCOCC(C)OCCO 34a_100000718985_100000211926 [1,1,0,0,0,0|2,0,0]=4 11093 B9R0.18 CCOCC(C)OCCO 7a_100000718985_100000211926 [1,1,0,0,0,0|2,0,0]=4 11094 B9R0.18 CCOCC(C)OCSC 34a_100000718985_100011218213 [1,1,0,0,0,0|2,0,0]=4 11095 B9R0.18 CCOC[C@@H](C)OCOC 34a_100016172286_100000210202 [1,1,0,0,0,0|2,0,0]=4 11096 B9R0.18 CCOC[C@@H](C)OCOC 7a_100016172286_100000210202 [1,1,0,0,0,0|2,0,0]=4 11097 B9R0.18 CCOC[C@@H](N)CCSC 34a_100011827619_100000210202 [1,1,0,0,0,0|2,0,0]=4 11098 B9R0.18 CSCOC(C)CCCCl 34a_200000718107_100011218213 [1,1,0,0,0,0|2,0,0]=4 11099 B9R0.46 C#CC(C)OCCCCC 34a_100000210253_200000035995 [1,1,0,0,0,0|0,0,2]=4 11100 B9R0.46 C#CCCCOC(C)CC 34a_100000215630_100011215416 [1,1,0,0,0,0|0,0,2]=4 11101 B9R0.46 C#CCCCOC(C)CC 7a_100000210228_100011215417 [1,1,0,0,0,0|0,0,2]=4 11102 B9R0.46 C#CCCCOC(C)CC 7a_100000215630_100000758301 [1,1,0,0,0,0|0,0,2]=4 11103 B9R0.46 C#CCCOCC(C)CC 34a_100011215631_100000748023 [1,1,0,0,0,0|0,0,2]=4 11104 B9R0.46 C#CCCOCC(O)CC 34a_100011215631_100011218378 [1,1,0,0,0,0|0,0,2]=4 11105 B9R0.46 C#CCCOC[C@@H](C)CC 34a_100011215631_100009816398 [1,1,0,0,0,0|0,0,2]=4 11106 B9R0.46 C#CCCOC[C@@H](C)CC 7a_100009816381_100000688953 [1,1,0,0,0,0|0,0,2]=4 11107 B9R0.46 C#CCOCCC(C)CC 7a_100011215188_100000038162 [1,1,0,0,0,0|0,0,2]=4 11108 B9R0.46 C#C[C@@H](C)OCCCCC 34a_100009815206_100000718602 [1,1,0,0,0,0|0,0,2]=4 11109 B9R0.46 C#C[C@@H](C)OCCCCC 7a_100009815206_100000210326 [1,1,0,0,0,0|0,0,2]=4 11110 B9R0.46 C/C=C/CCOC(C)CC 34a_100016278192_100011215416 [1,1,0,0,0,0|0,0,2]=4 11111 B9R0.46 C/C=C/COCC(C)CC 34a_100016270725_100000748023 [1,1,0,0,0,0|0,0,2]=4 11112 B9R0.46 C/C=C/COCC(O)CC 34a_100016270725_100011218378 [1,1,0,0,0,0|0,0,2]=4 11113 B9R0.46 C/C=C/COC[C@@H](C)CC 34a_100016270725_100009816398 [1,1,0,0,0,0|0,0,2]=4 11114 B9R0.46 C/C=C/COC[C@@H](C)CC 7a_100009816381_100102629194 [1,1,0,0,0,0|0,0,2]=4 11115 B9R0.46 C=CC(C)COCCCC 34a_100011215527_100000210210 [1,1,0,0,0,0|0,0,2]=4 11116 B9R0.46 C=CC(C)COCCCC 7a_100011215527_100000210211 [1,1,0,0,0,0|0,0,2]=4 11117 B9R0.46 C=CC(C)OCCCCC 34a_100000695699_100000718602 [1,1,0,0,0,0|0,0,2]=4 11118 B9R0.46 C=CC(O)COCCCC 34a_100000210227_100000730141 [1,1,0,0,0,0|0,0,2]=4 11119 B9R0.46 C=CC(O)COCCCC 7a_100000210227_100000730141 [1,1,0,0,0,0|0,0,2]=4 11120 B9R0.46 C=CCCCOC(C)CC 34a_100000758997_100011215416 [1,1,0,0,0,0|0,0,2]=4 11121 B9R0.46 C=CCCCOC(C)CC 7a_100000210228_100000757094 [1,1,0,0,0,0|0,0,2]=4 11122 B9R0.46 C=CCCCOC(C)CC 7a_100000758997_100000758301 [1,1,0,0,0,0|0,0,2]=4 11123 B9R0.46 C=CCCOCC(C)CC 34a_100011205117_100000748023 [1,1,0,0,0,0|0,0,2]=4 11124 B9R0.46 C=CCCOCC(O)CC 34a_100011205117_100011218378 [1,1,0,0,0,0|0,0,2]=4 11125 B9R0.46 C=CCCOC[C@@H](C)CC 34a_100011205117_100009816398 [1,1,0,0,0,0|0,0,2]=4 11126 B9R0.46 C=CCCOC[C@@H](C)CC 7a_100009816381_100000754431 [1,1,0,0,0,0|0,0,2]=4 11127 B9R0.46 C=CCOCCC(C)CC 7a_100011215188_100015514636 [1,1,0,0,0,0|0,0,2]=4 11128 B9R0.46 C=C[C@H](N)COCCCC 34a_100016989147_100000210210 [1,1,0,0,0,0|0,0,2]=4 11129 B9R0.46 CC#CCCOC(C)CC 34a_100000750427_100011215416 [1,1,0,0,0,0|0,0,2]=4 11130 B9R0.46 CC#CCOCC(C)CC 34a_100000761923_100000748023 [1,1,0,0,0,0|0,0,2]=4 11131 B9R0.46 CC#CCOCC(O)CC 34a_100000761923_100011218378 [1,1,0,0,0,0|0,0,2]=4 11132 B9R0.46 CC#CCOC[C@@H](C)CC 34a_100000761923_100009816398 [1,1,0,0,0,0|0,0,2]=4 11133 B9R0.46 CC#CCOC[C@@H](C)CC 7a_100009816381_100000748600 [1,1,0,0,0,0|0,0,2]=4 11134 B9R0.46 CC(CF)OCCCCF 34a_100016041109_100000729493 [1,1,0,0,0,0|2,0,0]=4 11135 B9R0.46 CC(CF)OCCCCF 7a_100016041109_100000729493 [1,1,0,0,0,0|2,0,0]=4 11136 B9R0.46 CC(CF)OCCCCO 34a_100016041109_100011216708 [1,1,0,0,0,0|2,0,0]=4 11137 B9R0.46 CC(CF)OCCCCO 7a_100016041109_100000210776 [1,1,0,0,0,0|2,0,0]=4 11138 B9R0.46 CC(CN)COCCCF 34a_100000744482_100011934791 [1,1,0,0,0,0|2,0,0]=4 11139 B9R0.46 CC(CN)COCCCO 34a_100000744482_100000230001 [1,1,0,0,0,0|2,0,0]=4 11140 B9R0.46 CC(CN)OCCCCF 34a_100000210904_100000729493 [1,1,0,0,0,0|2,0,0]=4 11141 B9R0.46 CC(CN)OCCCCO 34a_100000210904_100011216708 [1,1,0,0,0,0|2,0,0]=4 11142 B9R0.46 CC(CO)OCCCCBr 34a_100011216708_100012180447 [1,1,0,0,0,0|2,0,0]=4 11143 B9R0.46 CC(CO)OCCCCCl 34a_100000210776_100012180447 [1,1,0,0,0,0|2,0,0]=4 11144 B9R0.46 CC(CO)OCCCCCl 7a_100000210776_100012180447 [1,1,0,0,0,0|2,0,0]=4 11145 B9R0.46 CC(CO)OCCCCF 34a_100011995726_100012180447 [1,1,0,0,0,0|2,0,0]=4 11146 B9R0.46 CC(CO)OCCCCF 7a_100011995726_100012180447 [1,1,0,0,0,0|2,0,0]=4 11147 B9R0.46 CC(CO)OCCCCI 34a_200012148704_100012180447 [1,1,0,0,0,0|2,0,0]=4 11148 B9R0.46 CC(CO)OCCCCN 34a_100000750430_100012180447 [1,1,0,0,0,0|2,0,0]=4 11149 B9R0.46 CC/C=C\COC(C)CC 34a_100016268518_100011215416 [1,1,0,0,0,0|0,0,2]=4 11150 B9R0.46 CC/C=C\COC(C)CC 7a_100000210228_100103147603 [1,1,0,0,0,0|0,0,2]=4 11151 B9R0.46 CC=CCOC[C@@H](C)CC 7a_100009816381_100000070051 [1,1,0,0,0,0|0,0,2]=4 11152 B9R0.46 CCC#CCOC(C)CC 34a_100000032950_100011215416 [1,1,0,0,0,0|0,0,2]=4 11153 B9R0.46 CCC#CCOC(C)CC 7a_100000210228_100009813939 [1,1,0,0,0,0|0,0,2]=4 11154 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [1,1,0,0,0,0|1,0,1]=4 11155 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,1,0,0,0,0|1,0,1]=4 11156 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,1,0,0,0,0|1,0,1]=4 11157 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [1,1,0,0,0,0|1,0,1]=4 11158 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [1,1,0,0,0,0|1,0,1]=4 11159 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [1,1,0,0,0,0|1,0,1]=4 11160 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [1,1,0,0,0,0|1,0,1]=4 11161 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [1,1,0,0,0,0|1,0,1]=4 11162 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [1,1,0,0,0,0|1,0,1]=4 11163 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [1,1,0,0,0,0|1,0,1]=4 11164 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [1,1,0,0,0,0|1,0,1]=4 11165 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [1,1,0,0,0,0|1,0,1]=4 11166 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [1,1,0,0,0,0|2,0,0]=4 11167 B9R0.46 CCC(C)CCNCCF 2230a_100020591266_100011217306 [1,1,0,0,0,0|2,0,0]=4 11168 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [1,1,0,0,0,0|2,0,0]=4 11169 B9R0.46 CCC(C)CCNCOC 2230a_100020591266_100000766300 [1,1,0,0,0,0|2,0,0]=4 11170 B9R0.46 CCC(C)CCNCSC 2230a_100020591266_100011218213 [1,1,0,0,0,0|2,0,0]=4 11171 B9R0.46 CCC(C)CCOCC#N 7a_100011215188_100011215382 [1,1,0,0,0,0|1,0,1]=4 11172 B9R0.46 CCC(C)CCOCC=O 7a_100011215188_200015260668 [1,1,0,0,0,0|1,0,1]=4 11173 B9R0.46 CCC(C)CCOCCF 7a_100011215188_100011217306 [1,1,0,0,0,0|1,0,0]=3 11174 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [1,1,0,0,0,0|1,0,0]=3 11175 B9R0.46 CCC(C)CNCCCF 2230a_100015189416_100000748023 [1,1,0,0,0,0|2,0,0]=4 11176 B9R0.46 CCC(C)CNCCCF 2230a_100020588543_100011934791 [1,1,0,0,0,0|2,0,0]=4 11177 B9R0.46 CCC(C)CNCCCF 270004a_100015189416_100000243153 [1,1,0,0,0,0|2,0,0]=4 11178 B9R0.46 CCC(C)CNCCCF 34a_100015189416_100000748023 [1,1,0,0,0,0|2,0,0]=4 11179 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [1,1,0,0,0,0|2,0,0]=4 11180 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [1,1,0,0,0,0|2,0,0]=4 11181 B9R0.46 CCC(C)CNCCOC 2230a_100000209980_100000748023 [1,1,0,0,0,0|2,0,0]=4 11182 B9R0.46 CCC(C)CNCCOC 2230a_100020588543_100011201679 [1,1,0,0,0,0|2,0,0]=4 11183 B9R0.46 CCC(C)CNCCOC 270004a_100000209980_100000243153 [1,1,0,0,0,0|2,0,0]=4 11184 B9R0.46 CCC(C)CNCCSC 2230a_100020588543_100000751147 [1,1,0,0,0,0|2,0,0]=4 11185 B9R0.46 CCC(C)CNCCSC 2230a_100020590264_100000748023 [1,1,0,0,0,0|2,0,0]=4 11186 B9R0.46 CCC(C)CNCCSC 270004a_100020590264_100000243153 [1,1,0,0,0,0|2,0,0]=4 11187 B9R0.46 CCC(C)COCCCBr 34a_100011217188_100000748023 [1,1,0,0,0,0|1,0,0]=3 11188 B9R0.46 CCC(C)COCCCCl 34a_100000230001_100000748023 [1,1,0,0,0,0|1,0,0]=3 11189 B9R0.46 CCC(C)COCCCF 34a_100000759539_100000748023 [1,1,0,0,0,0|1,0,0]=3 11190 B9R0.46 CCC(C)COCCCN 34a_100000182051_100000748023 [1,1,0,0,0,0|1,0,0]=3 11191 B9R0.46 CCC(C)COCCOC 34a_100000210237_100000748023 [1,1,0,0,0,0|1,0,0]=3 11192 B9R0.46 CCC(C)COCCON 34a_100000700252_100000748023 [1,1,0,0,0,0|2,0,0]=4 11193 B9R0.46 CCC(C)COCCSC 34a_100000230434_100000748023 [1,1,0,0,0,0|1,0,0]=3 11194 B9R0.46 CCC(C)COCCSC 7a_100000230434_100000748023 [1,1,0,0,0,0|1,0,0]=3 11195 B9R0.46 CCC(C)CSCCCF 62a_100000748023_100011934791 [1,1,0,0,0,0|1,1,0]=4 11196 B9R0.46 CCC(C)CSCCCF 62a_100011934791_100000748023 [1,1,0,0,0,0|1,1,0]=4 11197 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [1,1,0,0,0,0|1,1,0]=4 11198 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [1,1,0,0,0,0|1,1,0]=4 11199 B9R0.46 CCC(C)CSCCOC 62a_100000233755_100000748023 [1,1,0,0,0,0|1,1,0]=4 11200 B9R0.46 CCC(C)CSCCOC 62a_100000748023_100000233755 [1,1,0,0,0,0|1,1,0]=4 11201 B9R0.46 CCC(C)CSCCSC 62a_100000212216_100000748023 [1,1,0,0,0,0|1,1,0]=4 11202 B9R0.46 CCC(C)CSCCSC 62a_100000748023_100000751147 [1,1,0,0,0,0|1,1,0]=4 11203 B9R0.46 CCC(C)NCCCCF 2230a_100000209981_100000729493 [1,1,0,0,0,0|2,0,0]=4 11204 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [1,1,0,0,0,0|2,0,0]=4 11205 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [1,1,0,0,0,0|2,0,0]=4 11206 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [1,1,0,0,0,0|2,0,0]=4 11207 B9R0.46 CCC(C)NCCCOC 2230a_100000209981_100000740836 [1,1,0,0,0,0|2,0,0]=4 11208 B9R0.46 CCC(C)NCCCOC 34a_100150723488_100011215416 [1,1,0,0,0,0|2,0,0]=4 11209 B9R0.46 CCC(C)NCCCSC 2230a_100000749238_100000758301 [1,1,0,0,0,0|2,0,0]=4 11210 B9R0.46 CCC(C)OCCCC#N 7a_100000210228_100000687738 [1,1,0,0,0,0|1,0,1]=4 11211 B9R0.46 CCC(C)OCCCC=O 7a_100000210228_200011292268 [1,1,0,0,0,0|1,0,1]=4 11212 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [1,1,0,0,0,0|1,0,0]=3 11213 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [1,1,0,0,0,0|1,0,0]=3 11214 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [1,1,0,0,0,0|1,0,0]=3 11215 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [1,1,0,0,0,0|1,0,0]=3 11216 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [1,1,0,0,0,0|1,0,0]=3 11217 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [1,1,0,0,0,0|1,0,0]=3 11218 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [1,1,0,0,0,0|1,0,0]=3 11219 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [1,1,0,0,0,0|1,0,0]=3 11220 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [1,1,0,0,0,0|1,0,0]=3 11221 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [1,1,0,0,0,0|1,0,0]=3 11222 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [1,1,0,0,0,0|1,0,0]=3 11223 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [1,1,0,0,0,0|1,0,0]=3 11224 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [1,1,0,0,0,0|1,0,0]=3 11225 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [1,1,0,0,0,0|1,0,0]=3 11226 B9R0.46 CCC(C)SCCCCF 62a_100000729493_100000758301 [1,1,0,0,0,0|1,1,0]=4 11227 B9R0.46 CCC(C)SCCCCF 62a_100000758301_100000729493 [1,1,0,0,0,0|1,1,0]=4 11228 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [1,1,0,0,0,0|1,1,0]=4 11229 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [1,1,0,0,0,0|1,1,0]=4 11230 B9R0.46 CCC(C)SCCCOC 62a_100000709357_100000758301 [1,1,0,0,0,0|1,1,0]=4 11231 B9R0.46 CCC(C)SCCCOC 62a_100000758301_100000709357 [1,1,0,0,0,0|1,1,0]=4 11232 B9R0.46 CCC(O)CNCCCF 2230a_100011218483_100011934791 [1,1,0,0,0,0|2,0,0]=4 11233 B9R0.46 CCC(O)CNCCCF 2230a_100015189416_100011218378 [1,1,0,0,0,0|2,0,0]=4 11234 B9R0.46 CCC(O)CNCCCF 34a_100015189416_100011218378 [1,1,0,0,0,0|2,0,0]=4 11235 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [1,1,0,0,0,0|2,0,0]=4 11236 B9R0.46 CCC(O)CNCCOC 2230a_100000209980_100011218378 [1,1,0,0,0,0|2,0,0]=4 11237 B9R0.46 CCC(O)CNCCOC 2230a_100011218483_100011201679 [1,1,0,0,0,0|2,0,0]=4 11238 B9R0.46 CCC(O)CNCCSC 2230a_100011218483_100000751147 [1,1,0,0,0,0|2,0,0]=4 11239 B9R0.46 CCC(O)CNCCSC 2230a_100020590264_100011218378 [1,1,0,0,0,0|2,0,0]=4 11240 B9R0.46 CCC(O)COCCCBr 34a_100011217188_100011218378 [1,1,0,0,0,0|1,0,0]=3 11241 B9R0.46 CCC(O)COCCCCl 34a_100000230001_100011218378 [1,1,0,0,0,0|1,0,0]=3 11242 B9R0.46 CCC(O)COCCCF 34a_100000759539_100011218378 [1,1,0,0,0,0|1,0,0]=3 11243 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [1,1,0,0,0,0|1,0,0]=3 11244 B9R0.46 CCC(O)COCCOC 34a_100000210237_100011218378 [1,1,0,0,0,0|1,0,0]=3 11245 B9R0.46 CCC(O)COCCON 34a_100000700252_100011218378 [1,1,0,0,0,0|2,0,0]=4 11246 B9R0.46 CCC(O)COCCSC 34a_100000230434_100011218378 [1,1,0,0,0,0|1,0,0]=3 11247 B9R0.46 CCC(O)COCCSC 7a_100000230434_100011218378 [1,1,0,0,0,0|1,0,0]=3 11248 B9R0.46 CCC(O)CSCCCF 62a_100011218378_100011934791 [1,1,0,0,0,0|1,1,0]=4 11249 B9R0.46 CCC(O)CSCCCF 62a_100011934791_100011218378 [1,1,0,0,0,0|1,1,0]=4 11250 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [1,1,0,0,0,0|1,1,0]=4 11251 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [1,1,0,0,0,0|1,1,0]=4 11252 B9R0.46 CCC(O)CSCCOC 62a_100000233755_100011218378 [1,1,0,0,0,0|1,1,0]=4 11253 B9R0.46 CCC(O)CSCCOC 62a_100011218378_100000233755 [1,1,0,0,0,0|1,1,0]=4 11254 B9R0.46 CCC(O)CSCCSC 62a_100000212216_100011218378 [1,1,0,0,0,0|1,1,0]=4 11255 B9R0.46 CCC(O)CSCCSC 62a_100011218378_100000751147 [1,1,0,0,0,0|1,1,0]=4 11256 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,1,0,0,0,0|0,0,1]=3 11257 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,1,0,0,0,0|0,0,1]=3 11258 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [1,1,0,0,0,0|1,0,1]=4 11259 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,1,0,0,0,0|1,0,1]=4 11260 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [1,1,0,0,0,0|1,0,1]=4 11261 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [1,1,0,0,0,0|1,0,1]=4 11262 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [1,1,0,0,0,0|1,0,1]=4 11263 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [1,1,0,0,0,0|1,0,1]=4 11264 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [1,1,0,0,0,0|1,0,0]=3 11265 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [1,1,0,0,0,0|1,0,0]=3 11266 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [1,1,0,0,0,0|1,0,0]=3 11267 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [1,1,0,0,0,0|1,0,0]=3 11268 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [1,1,0,0,0,0|1,0,0]=3 11269 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [1,1,0,0,0,0|1,0,0]=3 11270 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [1,1,0,0,0,0|1,0,0]=3 11271 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [1,1,0,0,0,0|1,0,0]=3 11272 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [1,1,0,0,0,0|1,0,0]=3 11273 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [1,1,0,0,0,0|1,0,0]=3 11274 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [1,1,0,0,0,0|1,0,0]=3 11275 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [1,1,0,0,0,0|1,0,0]=3 11276 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [1,1,0,0,0,0|1,0,0]=3 11277 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [1,1,0,0,0,0|1,0,0]=3 11278 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [1,1,0,0,0,0|1,0,0]=3 11279 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [1,1,0,0,0,0|1,0,0]=3 11280 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [1,1,0,0,0,0|1,0,0]=3 11281 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [1,1,0,0,0,0|1,0,0]=3 11282 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [1,1,0,0,0,0|1,0,0]=3 11283 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [1,1,0,0,0,0|1,0,0]=3 11284 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [1,1,0,0,0,0|1,0,0]=3 11285 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [1,1,0,0,0,0|2,0,0]=4 11286 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [1,1,0,0,0,0|1,0,1]=4 11287 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [1,1,0,0,0,0|1,0,1]=4 11288 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [1,1,0,0,0,0|1,0,1]=4 11289 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [1,1,0,0,0,0|1,0,1]=4 11290 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [1,1,0,0,0,0|1,0,0]=3 11291 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [1,1,0,0,0,0|1,0,0]=3 11292 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [1,1,0,0,0,0|2,0,0]=4 11293 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [1,1,0,0,0,0|2,0,0]=4 11294 B9R0.46 CCCCCOC(C)C#N 34a_100011218135_100000718602 [1,1,0,0,0,0|1,0,1]=4 11295 B9R0.46 CCCCCOC(C)C#N 7a_100000210253_100000703298 [1,1,0,0,0,0|1,0,1]=4 11296 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [1,1,0,0,0,0|0,0,0]=2 11297 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [1,1,0,0,0,0|0,0,0]=2 11298 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [1,1,0,0,0,0|0,0,0]=2 11299 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [1,1,0,0,0,0|1,0,0]=3 11300 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [1,1,0,0,0,0|1,0,0]=3 11301 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [1,1,0,0,0,0|1,0,0]=3 11302 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [1,1,0,0,0,0|1,0,0]=3 11303 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [1,1,0,0,0,0|1,0,0]=3 11304 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [1,1,0,0,0,0|0,1,0]=3 11305 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [1,1,0,0,0,0|0,1,0]=3 11306 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [1,1,0,0,0,0|1,1,0]=4 11307 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [1,1,0,0,0,0|1,1,0]=4 11308 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [1,1,0,0,0,0|1,1,0]=4 11309 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [1,1,0,0,0,0|1,1,0]=4 11310 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [1,1,0,0,0,0|1,1,0]=4 11311 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [1,1,0,0,0,0|1,0,1]=4 11312 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [1,1,0,0,0,0|1,0,0]=3 11313 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [1,1,0,0,0,0|1,0,0]=3 11314 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [1,1,0,0,0,0|1,0,0]=3 11315 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [1,1,0,0,0,0|1,0,0]=3 11316 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [1,1,0,0,0,0|2,0,0]=4 11317 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [1,1,0,0,0,0|1,0,0]=3 11318 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [1,1,0,0,0,0|1,0,0]=3 11319 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [1,1,0,0,0,0|1,0,0]=3 11320 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [1,1,0,0,0,0|2,0,0]=4 11321 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [1,1,0,0,0,0|2,0,0]=4 11322 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [1,1,0,0,0,0|1,0,0]=3 11323 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [1,1,0,0,0,0|1,0,0]=3 11324 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [1,1,0,0,0,0|2,0,0]=4 11325 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [1,1,0,0,0,0|2,0,0]=4 11326 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [1,1,0,0,0,0|2,0,0]=4 11327 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [1,1,0,0,0,0|2,0,0]=4 11328 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [1,1,0,0,0,0|2,0,0]=4 11329 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [1,1,0,0,0,0|2,0,0]=4 11330 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [1,1,0,0,0,0|2,0,0]=4 11331 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [1,1,0,0,0,0|2,0,0]=4 11332 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [1,1,0,0,0,0|2,0,0]=4 11333 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [1,1,0,0,0,0|0,0,1]=3 11334 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [1,1,0,0,0,0|0,0,1]=3 11335 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [1,1,0,0,0,0|0,0,1]=3 11336 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [1,1,0,0,0,0|0,0,1]=3 11337 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [1,1,0,0,0,0|1,0,1]=4 11338 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [1,1,0,0,0,0|1,0,1]=4 11339 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [1,1,0,0,0,0|1,0,1]=4 11340 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [1,1,0,0,0,0|1,0,1]=4 11341 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [1,1,0,0,0,0|1,0,1]=4 11342 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [1,1,0,0,0,0|1,0,1]=4 11343 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [1,1,0,0,0,0|1,0,1]=4 11344 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [1,1,0,0,0,0|1,0,1]=4 11345 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [1,1,0,0,0,0|1,0,1]=4 11346 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [1,1,0,0,0,0|1,0,1]=4 11347 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [1,1,0,0,0,0|1,0,1]=4 11348 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [1,1,0,0,0,0|0,0,0]=2 11349 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [1,1,0,0,0,0|0,0,0]=2 11350 B9R0.46 CCCCOCC(C)CN 34a_100000744482_100000210210 [1,1,0,0,0,0|1,0,0]=3 11351 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [1,1,0,0,0,0|1,0,0]=3 11352 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [1,1,0,0,0,0|1,0,0]=3 11353 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [1,1,0,0,0,0|1,0,0]=3 11354 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [1,1,0,0,0,0|1,0,0]=3 11355 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [1,1,0,0,0,0|1,0,0]=3 11356 B9R0.46 CCCCOCC(Cl)CCl 34a_100000033668_100000210210 [1,1,0,0,0,0|1,0,0]=3 11357 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [1,1,0,0,0,0|0,0,0]=2 11358 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [1,1,0,0,0,0|0,0,0]=2 11359 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [1,1,0,0,0,0|1,0,0]=3 11360 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [1,1,0,0,0,0|1,0,0]=3 11361 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [1,1,0,0,0,0|1,0,0]=3 11362 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [1,1,0,0,0,0|1,0,0]=3 11363 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [1,1,0,0,0,0|0,0,0]=2 11364 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [1,1,0,0,0,0|0,0,0]=2 11365 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [1,1,0,0,0,0|0,0,0]=2 11366 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [1,1,0,0,0,0|1,0,0]=3 11367 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [1,1,0,0,0,0|1,0,0]=3 11368 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [1,1,0,0,0,0|1,0,0]=3 11369 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [1,1,0,0,0,0|1,0,0]=3 11370 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [1,1,0,0,0,0|1,0,0]=3 11371 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [1,1,0,0,0,0|1,0,0]=3 11372 B9R0.46 CCCCOC[C@H](F)CN 34a_100015665980_100000210210 [1,1,0,0,0,0|1,0,0]=3 11373 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [1,1,0,0,0,0|0,1,1]=4 11374 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [1,1,0,0,0,0|0,1,1]=4 11375 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [1,1,0,0,0,0|0,1,1]=4 11376 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [1,1,0,0,0,0|0,1,0]=3 11377 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [1,1,0,0,0,0|0,1,0]=3 11378 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [1,1,0,0,0,0|0,1,0]=3 11379 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [1,1,0,0,0,0|0,1,0]=3 11380 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [1,1,0,0,0,0|1,1,0]=4 11381 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [1,1,0,0,0,0|1,1,0]=4 11382 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [1,1,0,0,0,0|0,1,0]=3 11383 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [1,1,0,0,0,0|0,1,0]=3 11384 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [1,1,0,0,0,0|1,1,0]=4 11385 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [1,1,0,0,0,0|1,1,0]=4 11386 B9R0.46 CCCCSC[C@@H](O)CF 62a_100000210211_100015614560 [1,1,0,0,0,0|1,1,0]=4 11387 B9R0.46 CCCCSC[C@@H](O)CF 62a_100015614560_100000210210 [1,1,0,0,0,0|1,1,0]=4 11388 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [1,1,0,0,0,0|1,1,0]=4 11389 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [1,1,0,0,0,0|1,1,0]=4 11390 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [1,1,0,0,0,0|1,0,0]=3 11391 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [1,1,0,0,0,0|2,0,0]=4 11392 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [1,1,0,0,0,0|2,0,0]=4 11393 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [1,1,0,0,0,0|0,0,1]=3 11394 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [1,1,0,0,0,0|1,0,1]=4 11395 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [1,1,0,0,0,0|1,0,1]=4 11396 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [1,1,0,0,0,0|1,0,1]=4 11397 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [1,1,0,0,0,0|1,0,1]=4 11398 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [1,1,0,0,0,0|0,0,0]=2 11399 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [1,1,0,0,0,0|1,0,0]=3 11400 B9R0.46 CCCOCCN(C)CC 2230a_100000225621_100011215938 [1,1,0,0,0,0|1,0,0]=3 11401 B9R0.46 CCCOCCN(C)CC 269982a_100000225621_100011215938 [1,1,0,0,0,0|1,0,0]=3 11402 B9R0.46 CCN(C)CCCCCF 2230a_100000225621_100000729378 [1,1,0,0,0,0|2,0,0]=4 11403 B9R0.46 CCN(C)CCCCCF 269982a_100000225621_100000729378 [1,1,0,0,0,0|2,0,0]=4 11404 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [1,1,0,0,0,0|2,0,0]=4 11405 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [1,1,0,0,0,0|2,0,0]=4 11406 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [1,1,0,0,0,0|2,0,0]=4 11407 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [1,1,0,0,0,0|2,0,0]=4 11408 B9R0.46 CCN(C)CCCCOC 2230a_100000225621_100000730899 [1,1,0,0,0,0|2,0,0]=4 11409 B9R0.46 CCN(C)CCCCOC 269982a_100000225621_100000730899 [1,1,0,0,0,0|2,0,0]=4 11410 B9R0.46 CCN(C)CCOCCO 2230a_100000225621_100011215305 [1,1,0,0,0,0|2,0,0]=4 11411 B9R0.46 CCN(C)CCOCCO 2230a_100000228057_100000210202 [1,1,0,0,0,0|2,0,0]=4 11412 B9R0.46 CCN(C)CCOCCO 269982a_100000225621_100011215305 [1,1,0,0,0,0|2,0,0]=4 11413 B9R0.46 CCN(C)CCOCCO 269982a_100000228057_100000204670 [1,1,0,0,0,0|2,0,0]=4 11414 B9R0.46 CCN(C)COCCOC 2230a_100000225621_100000231047 [1,1,0,0,0,0|2,0,0]=4 11415 B9R0.46 CCN(C)COCCOC 269982a_100000225621_100000231047 [1,1,0,0,0,0|2,0,0]=4 11416 B9R0.46 CCNCCCN(C)CC 2230a_100015525214_100015186262 [1,1,0,0,0,0|2,0,0]=4 11417 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,1,0,0,0,0|1,0,1]=4 11418 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [1,1,0,0,0,0|1,0,0]=3 11419 B9R0.46 CCOCCCN(C)CC 2230a_100000225621_100012232248 [1,1,0,0,0,0|2,0,0]=4 11420 B9R0.46 CCOCCCN(C)CC 269982a_100000225621_100012232248 [1,1,0,0,0,0|2,0,0]=4 11421 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [1,1,0,0,0,0|2,0,0]=4 11422 B9R0.46 CCOCCNC(C)CC 2230a_100000209981_100011215890 [1,1,0,0,0,0|2,0,0]=4 11423 B9R0.46 CCOCCNC(C)CC 2230a_102516460346_100000758301 [1,1,0,0,0,0|2,0,0]=4 11424 B9R0.46 CCOCCNC(C)CC 34a_102516460346_100011215416 [1,1,0,0,0,0|2,0,0]=4 11425 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [1,1,0,0,0,0|1,0,1]=4 11426 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [1,1,0,0,0,0|1,0,0]=3 11427 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [1,1,0,0,0,0|1,0,0]=3 11428 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [1,1,0,0,0,0|1,0,0]=3 11429 B9R0.46 CCOCCOC(C)CF 34a_100016041109_100000210147 [1,1,0,0,0,0|2,0,0]=4 11430 B9R0.46 CCOCCOC(C)CF 7a_100016041109_100011215890 [1,1,0,0,0,0|2,0,0]=4 11431 B9R0.46 CCOCCOC(C)CN 34a_100000210904_100000210147 [1,1,0,0,0,0|2,0,0]=4 11432 B9R0.46 CCOCCOC(C)CO 34a_100000210136_100012180447 [1,1,0,0,0,0|2,0,0]=4 11433 B9R0.46 CCOCCOC(C)CO 7a_100000210136_100012180447 [1,1,0,0,0,0|2,0,0]=4 11434 B9R0.46 CCOCCSC(C)CC 62a_100000210147_100000758301 [1,1,0,0,0,0|1,1,0]=4 11435 B9R0.46 CCOCCSC(C)CC 62a_100000758301_100011215890 [1,1,0,0,0,0|1,1,0]=4 11436 B9R0.46 CCOCSCC(C)CC 62a_100000739092_100000748023 [1,1,0,0,0,0|1,1,0]=4 11437 B9R0.46 CCOCSCC(C)CC 62a_100000748023_100000739092 [1,1,0,0,0,0|1,1,0]=4 11438 B9R0.46 CCOCSCC(O)CC 62a_100000739092_100011218378 [1,1,0,0,0,0|1,1,0]=4 11439 B9R0.46 CCOCSCC(O)CC 62a_100011218378_100000739092 [1,1,0,0,0,0|1,1,0]=4 11440 B9R0.46 CCOCSC[C@@H](C)CC 62a_100000739092_100009816398 [1,1,0,0,0,0|1,1,0]=4 11441 B9R0.46 CCOCSC[C@@H](C)CC 62a_100009816398_100000739092 [1,1,0,0,0,0|1,1,0]=4 11442 B9R0.46 CCSCCCN(C)CC 62a_100000210202_100015186262 [1,1,0,0,0,0|2,0,0]=4 11443 B9R0.46 CCSCCNC(C)CC 2230a_100000106463_100000758301 [1,1,0,0,0,0|2,0,0]=4 11444 B9R0.46 CCSCCNC(C)CC 2230a_100000209981_100000757381 [1,1,0,0,0,0|2,0,0]=4 11445 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [1,1,0,0,0,0|1,0,0]=3 11446 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [1,1,0,0,0,0|1,0,0]=3 11447 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [1,1,0,0,0,0|1,0,0]=3 11448 B9R0.46 CCSCCOC(C)CF 34a_100016041109_100000757381 [1,1,0,0,0,0|2,0,0]=4 11449 B9R0.46 CCSCCOC(C)CF 7a_100016041109_100000757381 [1,1,0,0,0,0|2,0,0]=4 11450 B9R0.46 CCSCCOC(C)CN 34a_100000210904_100000757381 [1,1,0,0,0,0|2,0,0]=4 11451 B9R0.46 CCSCCOC(C)CO 34a_100000212035_100012180447 [1,1,0,0,0,0|2,0,0]=4 11452 B9R0.46 CCSCCOC(C)CO 7a_100000212035_100012180447 [1,1,0,0,0,0|2,0,0]=4 11453 B9R0.46 CCSCCSC(C)CC 62a_100000757381_100000758301 [1,1,0,0,0,0|1,1,0]=4 11454 B9R0.46 CCSCCSC(C)CC 62a_100000758301_100000757381 [1,1,0,0,0,0|1,1,0]=4 11455 B9R0.46 CC[C@H](C)CNCCCF 2230a_100015189416_100009816398 [1,1,0,0,0,0|2,0,0]=4 11456 B9R0.46 CC[C@H](C)CNCCCF 34a_100015189416_100009816398 [1,1,0,0,0,0|2,0,0]=4 11457 B9R0.46 CC[C@H](C)CNCCOC 2230a_100000209980_100009816398 [1,1,0,0,0,0|2,0,0]=4 11458 B9R0.46 CC[C@H](C)CNCCSC 2230a_100020590264_100009816398 [1,1,0,0,0,0|2,0,0]=4 11459 B9R0.46 CC[C@H](C)COCCC#N 7a_100009816381_100000184422 [1,1,0,0,0,0|1,0,1]=4 11460 B9R0.46 CC[C@H](C)COCCCBr 34a_100011217188_100009816398 [1,1,0,0,0,0|1,0,0]=3 11461 B9R0.46 CC[C@H](C)COCCCCl 34a_100000230001_100009816398 [1,1,0,0,0,0|1,0,0]=3 11462 B9R0.46 CC[C@H](C)COCCCF 34a_100000759539_100009816398 [1,1,0,0,0,0|1,0,0]=3 11463 B9R0.46 CC[C@H](C)COCCCF 7a_100009816381_100011934791 [1,1,0,0,0,0|1,0,0]=3 11464 B9R0.46 CC[C@H](C)COCCCN 34a_100000182051_100009816398 [1,1,0,0,0,0|1,0,0]=3 11465 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [1,1,0,0,0,0|1,0,0]=3 11466 B9R0.46 CC[C@H](C)COCCOC 34a_100000210237_100009816398 [1,1,0,0,0,0|1,0,0]=3 11467 B9R0.46 CC[C@H](C)COCCOC 7a_100009816381_100000233755 [1,1,0,0,0,0|1,0,0]=3 11468 B9R0.46 CC[C@H](C)COCCON 34a_100000700252_100009816398 [1,1,0,0,0,0|2,0,0]=4 11469 B9R0.46 CC[C@H](C)COCCSC 34a_100000230434_100009816398 [1,1,0,0,0,0|1,0,0]=3 11470 B9R0.46 CC[C@H](C)COCCSC 7a_100000230434_100009816398 [1,1,0,0,0,0|1,0,0]=3 11471 B9R0.46 CC[C@H](C)COCCSC 7a_100009816381_100000212216 [1,1,0,0,0,0|1,0,0]=3 11472 B9R0.46 CC[C@H](C)CSCCCF 62a_100009816398_100011934791 [1,1,0,0,0,0|1,1,0]=4 11473 B9R0.46 CC[C@H](C)CSCCCF 62a_100011934791_100009816398 [1,1,0,0,0,0|1,1,0]=4 11474 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [1,1,0,0,0,0|1,1,0]=4 11475 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [1,1,0,0,0,0|1,1,0]=4 11476 B9R0.46 CC[C@H](C)CSCCOC 62a_100000233755_100009816398 [1,1,0,0,0,0|1,1,0]=4 11477 B9R0.46 CC[C@H](C)CSCCOC 62a_100009816398_100000233755 [1,1,0,0,0,0|1,1,0]=4 11478 B9R0.46 CC[C@H](C)CSCCSC 62a_100000212216_100009816398 [1,1,0,0,0,0|1,1,0]=4 11479 B9R0.46 CC[C@H](C)CSCCSC 62a_100009816398_100000751147 [1,1,0,0,0,0|1,1,0]=4 11480 B9R0.46 CNCCCOC(C)CO 34a_100000213112_100012180447 [1,1,0,0,0,0|2,0,0]=4 11481 B9R0.46 COC(C)CCOCCF 7a_100000764861_100011217306 [1,1,0,0,0,0|2,0,0]=4 11482 B9R0.46 COC(C)CCOCCO 7a_100000764861_100000211926 [1,1,0,0,0,0|2,0,0]=4 11483 B9R0.46 COC(C)COCCCF 34a_100000690652_100011934791 [1,1,0,0,0,0|2,0,0]=4 11484 B9R0.46 COC(C)COCCCO 34a_100000690652_100000230001 [1,1,0,0,0,0|2,0,0]=4 11485 B9R0.46 COC(C)COCCSC 34a_100000690652_100000212216 [1,1,0,0,0,0|2,0,0]=4 11486 B9R0.46 COCCCOC(C)CF 34a_100016041109_100000740836 [1,1,0,0,0,0|2,0,0]=4 11487 B9R0.46 COCCCOC(C)CF 7a_100016041109_100000740836 [1,1,0,0,0,0|2,0,0]=4 11488 B9R0.46 COCCCOC(C)CN 34a_100000210904_100000740836 [1,1,0,0,0,0|2,0,0]=4 11489 B9R0.46 COCCCOC(C)CO 34a_100000740835_100012180447 [1,1,0,0,0,0|2,0,0]=4 11490 B9R0.46 COCCOCC(C)CN 34a_100000744482_100011201679 [1,1,0,0,0,0|2,0,0]=4 11491 B9R0.46 COCCOCC(C)OC 34a_100000690652_100011201679 [1,1,0,0,0,0|2,0,0]=4 11492 B9R0.46 COCCOCC(Cl)CCl 34a_100000033668_100011201679 [1,1,0,0,0,0|2,0,0]=4 11493 B9R0.46 COCCOCC(O)CO 34a_100000210237_100011219619 [1,1,0,0,0,0|2,0,0]=4 11494 B9R0.46 COCCOC[C@@H](C)CO 34a_100000210237_100000059175 [1,1,0,0,0,0|2,0,0]=4 11495 B9R0.46 COCCOC[C@@H](O)CF 34a_100000210237_100015614560 [1,1,0,0,0,0|2,0,0]=4 11496 B9R0.46 COCCOC[C@@H](O)CO 34a_100000210237_100009815848 [1,1,0,0,0,0|2,0,0]=4 11497 B9R0.46 COCCOC[C@H](F)CN 34a_100015665980_100011201679 [1,1,0,0,0,0|2,0,0]=4 11498 B9R0.46 CSCCCOC(C)CO 34a_100000690336_100012180447 [1,1,0,0,0,0|2,0,0]=4 11499 B9R0.46 CSCCCOC(C)CO 7a_100000690336_100012180447 [1,1,0,0,0,0|2,0,0]=4 11500 B9R0.46 CSCCOCC(C)CN 34a_100000744482_100000212216 [1,1,0,0,0,0|2,0,0]=4 11501 B9R0.46 CSCCOCC(Cl)CCl 34a_100000033668_100000212216 [1,1,0,0,0,0|2,0,0]=4 11502 B9R0.46 CSCCOCC(O)CO 34a_100000230434_100011219619 [1,1,0,0,0,0|2,0,0]=4 11503 B9R0.46 CSCCOCC(O)CO 7a_100000230434_100011219619 [1,1,0,0,0,0|2,0,0]=4 11504 B9R0.46 CSCCOC[C@@H](C)CO 34a_100000230434_100000059175 [1,1,0,0,0,0|2,0,0]=4 11505 B9R0.46 CSCCOC[C@@H](C)CO 7a_100000230434_100000059175 [1,1,0,0,0,0|2,0,0]=4 11506 B9R0.46 CSCCOC[C@@H](O)CF 34a_100000230434_100015614560 [1,1,0,0,0,0|2,0,0]=4 11507 B9R0.46 CSCCOC[C@@H](O)CF 7a_100000230434_100015614560 [1,1,0,0,0,0|2,0,0]=4 11508 B9R0.46 CSCCOC[C@@H](O)CO 34a_100000230434_100009815848 [1,1,0,0,0,0|2,0,0]=4 11509 B9R0.46 CSCCOC[C@@H](O)CO 7a_100000230434_100009815848 [1,1,0,0,0,0|2,0,0]=4 11510 B9R0.46 CSCCOC[C@H](F)CN 34a_100015665980_100000212216 [1,1,0,0,0,0|2,0,0]=4 11511 B9R0.46 C[C@@H](CO)COCCCBr 34a_100011217188_100000059175 [1,1,0,0,0,0|2,0,0]=4 11512 B9R0.46 C[C@@H](CO)COCCCCl 34a_100000230001_100000059175 [1,1,0,0,0,0|2,0,0]=4 11513 B9R0.46 C[C@@H](CO)COCCCF 34a_100000759539_100000059175 [1,1,0,0,0,0|2,0,0]=4 11514 B9R0.46 C[C@@H](CO)COCCCN 34a_100000182051_100000059175 [1,1,0,0,0,0|2,0,0]=4 11515 B9R0.46 FCCCOCC(Cl)CCl 34a_100000033668_100011934791 [1,1,0,0,0,0|2,0,0]=4 11516 B9R0.46 NCCCOCC(O)CO 34a_100000182051_100011219619 [1,1,0,0,0,0|2,0,0]=4 11517 B9R0.46 NCCCOC[C@@H](O)CF 34a_100000182051_100015614560 [1,1,0,0,0,0|2,0,0]=4 11518 B9R0.46 NCCCOC[C@@H](O)CO 34a_100000182051_100009815848 [1,1,0,0,0,0|2,0,0]=4 11519 B9R0.46 NC[C@@H](F)COCCCF 34a_100015665980_100011934791 [1,1,0,0,0,0|2,0,0]=4 11520 B9R0.46 NC[C@@H](F)COCCCO 34a_100015665980_100000230001 [1,1,0,0,0,0|2,0,0]=4 11521 B9R0.46 OCC(O)COCCCBr 34a_100011217188_100011219619 [1,1,0,0,0,0|2,0,0]=4 11522 B9R0.46 OCC(O)COCCCCl 34a_100000230001_100011219619 [1,1,0,0,0,0|2,0,0]=4 11523 B9R0.46 OCC(O)COCCCF 34a_100000759539_100011219619 [1,1,0,0,0,0|2,0,0]=4 11524 B9R0.46 OCCCOCC(Cl)CCl 34a_100000033668_100000230001 [1,1,0,0,0,0|2,0,0]=4 11525 B9R0.46 OC[C@H](O)COCCCBr 34a_100011217188_100009815848 [1,1,0,0,0,0|2,0,0]=4 11526 B9R0.46 OC[C@H](O)COCCCCl 34a_100000230001_100009815848 [1,1,0,0,0,0|2,0,0]=4 11527 B9R0.46 OC[C@H](O)COCCCF 34a_100000759539_100009815848 [1,1,0,0,0,0|2,0,0]=4 11528 B9R0.46 O[C@@H](CF)COCCCBr 34a_100011217188_100015614560 [1,1,0,0,0,0|2,0,0]=4 11529 B9R0.46 O[C@@H](CF)COCCCCl 34a_100000230001_100015614560 [1,1,0,0,0,0|2,0,0]=4 11530 B9R0.46 O[C@@H](CF)COCCCF 34a_100000759539_100015614560 [1,1,0,0,0,0|2,0,0]=4 11531 B11R0.2 C#CCCCOC(C)CC(C)C 34a_100000211805_100000695029 [0,2,0,0,0,0|0,0,2]=4 11532 B11R0.2 C#CCCCOC(C)CC(C)C 34a_100000215630_100000731052 [0,2,0,0,0,0|0,0,2]=4 11533 B11R0.2 C#CCCCOC(C)CC(C)C 7a_100000211805_100011215417 [0,2,0,0,0,0|0,0,2]=4 11534 B11R0.2 C#CCCCOC(C)CC(C)C 7a_100000215630_100000731052 [0,2,0,0,0,0|0,0,2]=4 11535 B11R0.2 C#CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000688953 [0,2,0,0,0,0|0,0,2]=4 11536 B11R0.2 C/C=C/CCOC(C)CC(C)C 34a_100016278192_100000731052 [0,2,0,0,0,0|0,0,2]=4 11537 B11R0.2 C/C=C/COC[C@@H](N)CC(C)C 34a_100011830311_100102629194 [0,2,0,0,0,0|0,0,2]=4 11538 B11R0.2 C=C(C)CC(=O)COCCCC 1458a_100000757543_100000748629 [0,2,0,0,0,0|0,0,2]=4 11539 B11R0.2 C=C(C)CN(C)COCCCC 2230a_100000225649_100011995733 [0,2,0,0,0,0|1,0,1]=4 11540 B11R0.2 C=C(C)CN(C)COCCCC 269982a_100000225649_100011995733 [0,2,0,0,0,0|1,0,1]=4 11541 B11R0.2 C=CCCCOC(C)CC(C)C 34a_100000211805_100000757094 [0,2,0,0,0,0|0,0,2]=4 11542 B11R0.2 C=CCCCOC(C)CC(C)C 34a_100000758997_100000731052 [0,2,0,0,0,0|0,0,2]=4 11543 B11R0.2 C=CCCCOC(C)CC(C)C 7a_100000211805_100000757094 [0,2,0,0,0,0|0,0,2]=4 11544 B11R0.2 C=CCCCOC(C)CC(C)C 7a_100000758997_100000731052 [0,2,0,0,0,0|0,0,2]=4 11545 B11R0.2 C=CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000754431 [0,2,0,0,0,0|0,0,2]=4 11546 B11R0.2 CC#CCCOC(C)CC(C)C 34a_100000750427_100000731052 [0,2,0,0,0,0|0,0,2]=4 11547 B11R0.2 CC#CCOC[C@@H](N)CC(C)C 34a_100011830311_100000748600 [0,2,0,0,0,0|0,0,2]=4 11548 B11R0.2 CC(C)CC(C)NCCCCF 2230a_100000692259_100000729493 [0,2,0,0,0,0|2,0,0]=4 11549 B11R0.2 CC(C)CC(C)NCCCCO 2230a_100000692259_100000210776 [0,2,0,0,0,0|2,0,0]=4 11550 B11R0.2 CC(C)CC(C)NCCCCO 2230a_100000750430_100000731052 [0,2,0,0,0,0|2,0,0]=4 11551 B11R0.2 CC(C)CC(C)NCCCCO 34a_100000750430_100000731052 [0,2,0,0,0,0|2,0,0]=4 11552 B11R0.2 CC(C)CC(C)OCCCC#N 7a_100000211805_100000687738 [0,2,0,0,0,0|1,0,1]=4 11553 B11R0.2 CC(C)CC(C)OCCCC=O 7a_100000211805_200011292268 [0,2,0,0,0,0|1,0,1]=4 11554 B11R0.2 CC(C)CC(C)OCCCCBr 34a_100011216708_100000731052 [0,2,0,0,0,0|1,0,0]=3 11555 B11R0.2 CC(C)CC(C)OCCCCCl 34a_100000210776_100000731052 [0,2,0,0,0,0|1,0,0]=3 11556 B11R0.2 CC(C)CC(C)OCCCCCl 7a_100000210776_100000731052 [0,2,0,0,0,0|1,0,0]=3 11557 B11R0.2 CC(C)CC(C)OCCCCF 34a_100000211805_100000729493 [0,2,0,0,0,0|1,0,0]=3 11558 B11R0.2 CC(C)CC(C)OCCCCF 34a_100011995726_100000731052 [0,2,0,0,0,0|1,0,0]=3 11559 B11R0.2 CC(C)CC(C)OCCCCF 7a_100000211805_100000729493 [0,2,0,0,0,0|1,0,0]=3 11560 B11R0.2 CC(C)CC(C)OCCCCF 7a_100011995726_100000731052 [0,2,0,0,0,0|1,0,0]=3 11561 B11R0.2 CC(C)CC(C)OCCCCI 34a_200012148704_100000731052 [0,2,0,0,0,0|1,0,0]=3 11562 B11R0.2 CC(C)CC(C)OCCCCN 34a_100000750430_100000731052 [0,2,0,0,0,0|1,0,0]=3 11563 B11R0.2 CC(C)CC(C)OCCCCO 34a_100000211805_100011216708 [0,2,0,0,0,0|1,0,0]=3 11564 B11R0.2 CC(C)CC(C)OCCCCO 7a_100000211805_100000210776 [0,2,0,0,0,0|1,0,0]=3 11565 B11R0.2 CC(C)CC(C)SCCCCF 62a_100000729493_100000731052 [0,2,0,0,0,0|1,1,0]=4 11566 B11R0.2 CC(C)CC(C)SCCCCF 62a_100000731052_100000729493 [0,2,0,0,0,0|1,1,0]=4 11567 B11R0.2 CC(C)CC(C)SCCCCO 62a_100000210776_100000731052 [0,2,0,0,0,0|1,1,0]=4 11568 B11R0.2 CC(C)CC(C)SCCCCO 62a_100000731052_100000210776 [0,2,0,0,0,0|1,1,0]=4 11569 B11R0.2 CC(C)C[C@H](N)COCCCF 34a_100011830311_100011934791 [0,2,0,0,0,0|1,0,0]=3 11570 B11R0.2 CC(C)C[C@H](N)COCCCO 34a_100011830311_100000230001 [0,2,0,0,0,0|1,0,0]=3 11571 B11R0.2 CC/C=C\COC(C)CC(C)C 34a_100000211805_100103147603 [0,2,0,0,0,0|0,0,2]=4 11572 B11R0.2 CC/C=C\COC(C)CC(C)C 34a_100016268518_100000731052 [0,2,0,0,0,0|0,0,2]=4 11573 B11R0.2 CC/C=C\COC(C)CC(C)C 7a_100000211805_100103147603 [0,2,0,0,0,0|0,0,2]=4 11574 B11R0.2 CC=CCOC[C@@H](N)CC(C)C 34a_100011830311_100000070051 [0,2,0,0,0,0|0,0,2]=4 11575 B11R0.2 CCC#CCOC(C)CC(C)C 34a_100000032950_100000731052 [0,2,0,0,0,0|0,0,2]=4 11576 B11R0.2 CCC#CCOC(C)CC(C)C 34a_100000211805_100009813939 [0,2,0,0,0,0|0,0,2]=4 11577 B11R0.2 CCC#CCOC(C)CC(C)C 7a_100000211805_100009813939 [0,2,0,0,0,0|0,0,2]=4 11578 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100000210554_100000210757 [0,2,0,0,0,0|1,0,1]=4 11579 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100102632555_100000210624 [0,2,0,0,0,0|1,0,1]=4 11580 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [0,2,0,0,0,0|1,0,1]=4 11581 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [0,2,0,0,0,0|1,0,1]=4 11582 B11R0.2 CCCCCCC(C)NC(C)C 2230a_100000210919_100000210206 [0,2,0,0,0,0|2,0,0]=4 11583 B11R0.2 CCCCCCC(C)NC(C)C 2230a_100138425928_100011215978 [0,2,0,0,0,0|2,0,0]=4 11584 B11R0.2 CCCCCCC(C)NC(C)C 34a_100000210919_100000210206 [0,2,0,0,0,0|2,0,0]=4 11585 B11R0.2 CCCCCCC(C)NC(C)C 34a_100138425928_100011215978 [0,2,0,0,0,0|2,0,0]=4 11586 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000210265_100000210206 [0,2,0,0,0,0|2,0,0]=4 11587 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000212225_100011215978 [0,2,0,0,0,0|2,0,0]=4 11588 B11R0.2 CCCCCCC(C)OC(C)C 7a_100000210265_100000210206 [0,2,0,0,0,0|2,0,0]=4 11589 B11R0.2 CCCCCCC(C)SC(C)C 62a_100000210206_100011215978 [0,2,0,0,0,0|2,0,0]=4 11590 B11R0.2 CCCCCCC(C)SC(C)C 62a_100011215978_100000210206 [0,2,0,0,0,0|2,0,0]=4 11591 B11R0.2 CCCCCCN(C)CC(C)C 2230a_100000747067_100000210314 [0,2,0,0,0,0|2,0,0]=4 11592 B11R0.2 CCCCCCN(C)CC(C)C 2230a_106256046315_100000210760 [0,2,0,0,0,0|2,0,0]=4 11593 B11R0.2 CCCCCCN(C)CC(C)C 269982a_100000747067_100000210757 [0,2,0,0,0,0|2,0,0]=4 11594 B11R0.2 CCCCCCN(C)CC(C)C 269982a_106256046315_100000210624 [0,2,0,0,0,0|2,0,0]=4 11595 B11R0.2 CCCCCCN(C)CC(C)C 270004a_106256046315_100000210432 [0,2,0,0,0,0|2,0,0]=4 11596 B11R0.2 CCCCCCN(C)CC(C)O 2230a_100000227577_100000210314 [0,2,0,0,0,0|2,0,0]=4 11597 B11R0.2 CCCCCCN(C)CC(C)O 2230a_106256046315_100011218427 [0,2,0,0,0,0|2,0,0]=4 11598 B11R0.2 CCCCCCN(C)CC(C)O 269982a_100000227577_100000210757 [0,2,0,0,0,0|2,0,0]=4 11599 B11R0.2 CCCCCCN(C)CC(C)O 269982a_106256046315_100011218427 [0,2,0,0,0,0|2,0,0]=4 11600 B11R0.2 CCCCCCN(C)C[C@@H](C)O 2230a_106256046315_100009817552 [0,2,0,0,0,0|2,0,0]=4 11601 B11R0.2 CCCCCCN(C)C[C@@H](C)O 269982a_106256046315_100009817552 [0,2,0,0,0,0|2,0,0]=4 11602 B11R0.2 CCCCCNC(=O)CC(C)C 11a_100000209983_100000210554 [0,2,0,0,0,0|1,0,1]=4 11603 B11R0.2 CCCCCNC(=O)CC(C)C 1626a_100000209983_100000210554 [0,2,0,0,0,0|1,0,1]=4 11604 B11R0.2 CCCCCNC(=O)CC(C)C 240690a_100000209983_100000210554 [0,2,0,0,0,0|1,0,1]=4 11605 B11R0.2 CCCCCNC(=O)CC(C)C 527a_100000209983_100000210554 [0,2,0,0,0,0|1,0,1]=4 11606 B11R0.2 CCCCCNC(=O)C[C@@H](C)O 240690a_100000209983_100011933948 [0,2,0,0,0,0|1,0,1]=4 11607 B11R0.2 CCCCCNC(C)CC(C)C 2230a_100000209983_100000731052 [0,2,0,0,0,0|1,0,0]=3 11608 B11R0.2 CCCCCNC(C)CC(C)C 2230a_100000692259_100000210326 [0,2,0,0,0,0|1,0,0]=3 11609 B11R0.2 CCCCCOC(C)C=C(C)C 34a_100000717055_100000718602 [0,2,0,0,0,0|0,0,2]=4 11610 B11R0.2 CCCCCOC(C)CC(C)C 34a_100000210253_100000731052 [0,2,0,0,0,0|0,0,0]=2 11611 B11R0.2 CCCCCOC(C)CC(C)C 34a_100000211805_100000718602 [0,2,0,0,0,0|0,0,0]=2 11612 B11R0.2 CCCCCOC(C)CC(C)C 7a_100000210253_100000731052 [0,2,0,0,0,0|0,0,0]=2 11613 B11R0.2 CCCCCOC(C)CC(C)C 7a_100000211805_100000210326 [0,2,0,0,0,0|0,0,0]=2 11614 B11R0.2 CCCCCSC(C)CC(C)C 62a_100000210326_100000731052 [0,2,0,0,0,0|0,1,0]=3 11615 B11R0.2 CCCCCSC(C)CC(C)C 62a_100000731052_100000210326 [0,2,0,0,0,0|0,1,0]=3 11616 B11R0.2 CCCCCSC(C)CN(C)C 62a_100000210326_100020606517 [0,2,0,0,0,0|1,1,0]=4 11617 B11R0.2 CCCCCSC(C)CN(C)C 62a_100020606517_100000210326 [0,2,0,0,0,0|1,1,0]=4 11618 B11R0.2 CCCCNCC(C)CN(C)C 2230a_100000102301_100015348159 [0,2,0,0,0,0|2,0,0]=4 11619 B11R0.2 CCCCNCC(C)CN(C)C 7a_106832991798_100015348159 [0,2,0,0,0,0|2,0,0]=4 11620 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000210554_100011995733 [0,2,0,0,0,0|0,0,1]=3 11621 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000757543_100000210624 [0,2,0,0,0,0|0,0,1]=3 11622 B11R0.2 CCCCOCC(=O)CC(C)O 1458a_100000757543_100011218427 [0,2,0,0,0,0|0,0,1]=3 11623 B11R0.2 CCCCOCC(=O)CC(F)F 1458a_100000757543_100011934356 [0,2,0,0,0,0|1,0,1]=4 11624 B11R0.2 CCCCOCC(=O)CN(C)C 1458a_100000750896_100011995733 [0,2,0,0,0,0|1,0,1]=4 11625 B11R0.2 CCCCOCC(=O)C[C@@H](C)O 1458a_100011933948_100011995733 [0,2,0,0,0,0|0,0,1]=3 11626 B11R0.2 CCCCOCC(=O)C[S+](C)C 1458a_200159257847_100011995733 [0,2,0,0,0,0|1,0,1]=4 11627 B11R0.2 CCCCOCC(=O)NC(C)C 11a_100138425928_100000757543 [0,2,0,0,0,0|1,0,1]=4 11628 B11R0.2 CCCCOCC(=O)NC(C)C 1626a_100138425928_100000757543 [0,2,0,0,0,0|1,0,1]=4 11629 B11R0.2 CCCCOCC(=O)NC(C)C 240690a_100138425928_100000757543 [0,2,0,0,0,0|1,0,1]=4 11630 B11R0.2 CCCCOCC(=O)NC(C)C 34a_100000210227_100000183996 [0,2,0,0,0,0|1,0,1]=4 11631 B11R0.2 CCCCOCC(=O)NC(C)C 527a_100138425928_100000757543 [0,2,0,0,0,0|1,0,1]=4 11632 B11R0.2 CCCCOCC(=O)NC(C)C 7a_100000210227_100000183996 [0,2,0,0,0,0|1,0,1]=4 11633 B11R0.2 CCCCOCC(=O)OC(C)C 34a_100000210227_100011215430 [0,2,0,0,0,0|1,0,1]=4 11634 B11R0.2 CCCCOCC(=O)OC(C)C 7a_100000210227_100011215430 [0,2,0,0,0,0|1,0,1]=4 11635 B11R0.2 CCCCOCC(C)CN(C)C 7a_100000210227_100015348159 [0,2,0,0,0,0|1,0,0]=3 11636 B11R0.2 CCCCOCC(C)OC(C)C 34a_100011217071_100000210206 [0,2,0,0,0,0|1,0,0]=3 11637 B11R0.2 CCCCOCC(C)OC(C)C 7a_100011217071_100000210206 [0,2,0,0,0,0|1,0,0]=3 11638 B11R0.2 CCCCOCN(C)CC(C)C 2230a_100000747067_100011995733 [0,2,0,0,0,0|1,0,0]=3 11639 B11R0.2 CCCCOCN(C)CC(C)C 269982a_100000747067_100011995733 [0,2,0,0,0,0|1,0,0]=3 11640 B11R0.2 CCCCOCN(C)CC(C)O 2230a_100000227577_100011995733 [0,2,0,0,0,0|1,0,0]=3 11641 B11R0.2 CCCCOCN(C)CC(C)O 269982a_100000227577_100011995733 [0,2,0,0,0,0|1,0,0]=3 11642 B11R0.2 CCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210210 [0,2,0,0,0,0|0,0,0]=2 11643 B11R0.2 CCCCSCC(=O)CC(C)C 1458a_100000191162_100000210624 [0,2,0,0,0,0|0,1,1]=4 11644 B11R0.2 CCCCSCC(=O)CC(C)O 1458a_100000191162_100011218427 [0,2,0,0,0,0|0,1,1]=4 11645 B11R0.2 CCCCSCC(C)CN(C)C 62a_100000210211_100015348159 [0,2,0,0,0,0|1,1,0]=4 11646 B11R0.2 CCCCSCC(C)CN(C)C 62a_100015348159_100000210210 [0,2,0,0,0,0|1,1,0]=4 11647 B11R0.2 CCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210303 [0,2,0,0,0,0|2,0,0]=4 11648 B11R0.2 CCOCCNC(C)CC(C)C 2230a_100000692259_100011215890 [0,2,0,0,0,0|2,0,0]=4 11649 B11R0.2 CCOCCNC(C)CC(C)C 2230a_102516460346_100000731052 [0,2,0,0,0,0|2,0,0]=4 11650 B11R0.2 CCOCCNC(C)CC(C)C 34a_102516460346_100000731052 [0,2,0,0,0,0|2,0,0]=4 11651 B11R0.2 CCOCCOC(C)CC(C)C 34a_100000210136_100000731052 [0,2,0,0,0,0|1,0,0]=3 11652 B11R0.2 CCOCCOC(C)CC(C)C 34a_100000211805_100000210147 [0,2,0,0,0,0|1,0,0]=3 11653 B11R0.2 CCOCCOC(C)CC(C)C 7a_100000210136_100000731052 [0,2,0,0,0,0|1,0,0]=3 11654 B11R0.2 CCOCCOC(C)CC(C)C 7a_100000211805_100011215890 [0,2,0,0,0,0|1,0,0]=3 11655 B11R0.2 CCOCCSC(C)CC(C)C 62a_100000210147_100000731052 [0,2,0,0,0,0|1,1,0]=4 11656 B11R0.2 CCOCCSC(C)CC(C)C 62a_100000731052_100011215890 [0,2,0,0,0,0|1,1,0]=4 11657 B11R0.2 CCSCCNC(C)CC(C)C 2230a_100000106463_100000731052 [0,2,0,0,0,0|2,0,0]=4 11658 B11R0.2 CCSCCNC(C)CC(C)C 2230a_100000692259_100000757381 [0,2,0,0,0,0|2,0,0]=4 11659 B11R0.2 CCSCCOC(C)CC(C)C 34a_100000211805_100000757381 [0,2,0,0,0,0|1,0,0]=3 11660 B11R0.2 CCSCCOC(C)CC(C)C 34a_100000212035_100000731052 [0,2,0,0,0,0|1,0,0]=3 11661 B11R0.2 CCSCCOC(C)CC(C)C 7a_100000211805_100000757381 [0,2,0,0,0,0|1,0,0]=3 11662 B11R0.2 CCSCCOC(C)CC(C)C 7a_100000212035_100000731052 [0,2,0,0,0,0|1,0,0]=3 11663 B11R0.2 CCSCCSC(C)CC(C)C 62a_100000731052_100000757381 [0,2,0,0,0,0|1,1,0]=4 11664 B11R0.2 CCSCCSC(C)CC(C)C 62a_100000757381_100000731052 [0,2,0,0,0,0|1,1,0]=4 11665 B11R0.2 CNCCCOC(C)CC(C)C 34a_100000213112_100000731052 [0,2,0,0,0,0|1,0,0]=3 11666 B11R0.2 COCCCNC(C)CC(C)C 2230a_100000692259_100000740836 [0,2,0,0,0,0|2,0,0]=4 11667 B11R0.2 COCCCNC(C)CC(C)C 34a_100150723488_100000731052 [0,2,0,0,0,0|2,0,0]=4 11668 B11R0.2 COCCCOC(C)CC(C)C 34a_100000211805_100000740836 [0,2,0,0,0,0|1,0,0]=3 11669 B11R0.2 COCCCOC(C)CC(C)C 34a_100000740835_100000731052 [0,2,0,0,0,0|1,0,0]=3 11670 B11R0.2 COCCCOC(C)CC(C)C 7a_100000211805_100000740836 [0,2,0,0,0,0|1,0,0]=3 11671 B11R0.2 COCCCSC(C)CC(C)C 62a_100000709357_100000731052 [0,2,0,0,0,0|1,1,0]=4 11672 B11R0.2 COCCCSC(C)CC(C)C 62a_100000731052_100000709357 [0,2,0,0,0,0|1,1,0]=4 11673 B11R0.2 COCCOCC(=O)CC(C)C 1458a_100000211095_100000210624 [0,2,0,0,0,0|1,0,1]=4 11674 B11R0.2 COCCOCC(=O)CC(C)O 1458a_100000211095_100011218427 [0,2,0,0,0,0|1,0,1]=4 11675 B11R0.2 COCCOCN(C)CC(C)C 2230a_100000747067_100000231047 [0,2,0,0,0,0|2,0,0]=4 11676 B11R0.2 COCCOCN(C)CC(C)C 269982a_100000747067_100000231047 [0,2,0,0,0,0|2,0,0]=4 11677 B11R0.2 COCCOCN(C)CC(C)O 2230a_100000227577_100000231047 [0,2,0,0,0,0|2,0,0]=4 11678 B11R0.2 COCCOCN(C)CC(C)O 269982a_100000227577_100000231047 [0,2,0,0,0,0|2,0,0]=4 11679 B11R0.2 COCCOC[C@@H](N)CC(C)C 34a_100011830311_100011201679 [0,2,0,0,0,0|1,0,0]=3 11680 B11R0.2 CSCCCNC(C)CC(C)C 2230a_100000749238_100000731052 [0,2,0,0,0,0|2,0,0]=4 11681 B11R0.2 CSCCCOC(C)CC(C)C 34a_100000690336_100000731052 [0,2,0,0,0,0|1,0,0]=3 11682 B11R0.2 CSCCCOC(C)CC(C)C 7a_100000690336_100000731052 [0,2,0,0,0,0|1,0,0]=3 11683 B11R0.2 CSCCOCC(C)CN(C)C 7a_100000230434_100015348159 [0,2,0,0,0,0|2,0,0]=4 11684 B11R0.2 CSCCOC[C@@H](N)CC(C)C 34a_100011830311_100000212216 [0,2,0,0,0,0|1,0,0]=3 11685 B11R0.4 C#CCC(=O)CCOCCCC 1458a_100011220946_100000743108 [0,2,0,0,0,0|0,0,2]=4 11686 B11R0.4 C#CCC(C)OCCCCCC 34a_100000685586_100000210314 [0,2,0,0,0,0|0,0,2]=4 11687 B11R0.4 C#CCC(C)OCCCCCC 7a_100000685586_100000210314 [0,2,0,0,0,0|0,0,2]=4 11688 B11R0.4 C#CCC(C)OCCCCCF 34a_100000685586_100000729378 [0,2,0,0,0,0|0,0,2]=4 11689 B11R0.4 C#CCC(C)OCCCCCF 7a_100000685586_100000729378 [0,2,0,0,0,0|0,0,2]=4 11690 B11R0.4 C#CCC(C)OCCCCCO 34a_100000685586_100000746330 [0,2,0,0,0,0|0,0,2]=4 11691 B11R0.4 C#CCC(C)OCCCCCO 7a_100000685586_100000746330 [0,2,0,0,0,0|0,0,2]=4 11692 B11R0.4 C#CCC(C)OCCCCOC 34a_100000685586_100000755781 [0,2,0,0,0,0|0,0,2]=4 11693 B11R0.4 C#CCC(C)OCCCCOC 7a_100000685586_100000730899 [0,2,0,0,0,0|0,0,2]=4 11694 B11R0.4 C#CCC(C)OCCCOCC 34a_100000685586_100012232248 [0,2,0,0,0,0|0,0,2]=4 11695 B11R0.4 C#CCC(C)OCCCOCC 7a_100000685586_100012232248 [0,2,0,0,0,0|0,0,2]=4 11696 B11R0.4 C#CCC(C)OCCOCCC 34a_100000685586_100011215938 [0,2,0,0,0,0|0,0,2]=4 11697 B11R0.4 C#CCC(C)OCCOCCC 7a_100000685586_100011215938 [0,2,0,0,0,0|0,0,2]=4 11698 B11R0.4 C#CCC(C)OCOCCCC 34a_100000685586_100011995733 [0,2,0,0,0,0|0,0,2]=4 11699 B11R0.4 C#CCCCCNC(C)CCC 2230a_100000706060_100000766640 [0,2,0,0,0,0|1,0,1]=4 11700 B11R0.4 C#CCCCCNC(C)CCC 2230a_100000741246_100010269958 [0,2,0,0,0,0|1,0,1]=4 11701 B11R0.4 C#CCCCCNC(C)CCC 34a_100000706060_100000766640 [0,2,0,0,0,0|1,0,1]=4 11702 B11R0.4 C#CCCCCOC(C)CCBr 34a_100012276601_100010269958 [0,2,0,0,0,0|1,0,1]=4 11703 B11R0.4 C#CCCCCOC(C)CCC 34a_100000764384_100010269958 [0,2,0,0,0,0|0,0,1]=3 11704 B11R0.4 C#CCCCCOC(C)CCC 34a_100000766709_100000766640 [0,2,0,0,0,0|0,0,1]=3 11705 B11R0.4 C#CCCCCOC(C)CCC 7a_100000764384_100010269958 [0,2,0,0,0,0|0,0,1]=3 11706 B11R0.4 C#CCCCCOC(C)CCC 7a_100000766709_100000766640 [0,2,0,0,0,0|0,0,1]=3 11707 B11R0.4 C#CCCCCOC(C)CCO 34a_100000766709_100009893172 [0,2,0,0,0,0|1,0,1]=4 11708 B11R0.4 C#CCCCCOC(C)CCO 7a_100000766709_100009893172 [0,2,0,0,0,0|1,0,1]=4 11709 B11R0.4 C#CCCCCOC(C)COC 34a_100000766709_100000765312 [0,2,0,0,0,0|1,0,1]=4 11710 B11R0.4 C#CCCCCOC(C)COC 7a_100000766709_100000765312 [0,2,0,0,0,0|1,0,1]=4 11711 B11R0.4 C#CCCCCO[C@H](C)COC 34a_100011934205_100010269958 [0,2,0,0,0,0|1,0,1]=4 11712 B11R0.4 C#CCCCCSC(C)CCC 62a_100000766640_100010269958 [0,2,0,0,0,0|0,1,1]=4 11713 B11R0.4 C#CCCCCSC(C)CCC 62a_100010269958_100000766640 [0,2,0,0,0,0|0,1,1]=4 11714 B11R0.4 C#CCCCNCC(C)CCC 270004a_100000718082_100000243154 [0,2,0,0,0,0|1,0,1]=4 11715 B11R0.4 C#CCCCNCC(C)CCC 34a_100000718082_100011216630 [0,2,0,0,0,0|1,0,1]=4 11716 B11R0.4 C#CCCCOCC(=O)CCC 7a_100000215630_100000747444 [0,2,0,0,0,0|0,0,2]=4 11717 B11R0.4 C#CCCCOCC(C)CCC 34a_100000215630_100011216630 [0,2,0,0,0,0|0,0,1]=3 11718 B11R0.4 C#CCCCOCC(C)CCC 34a_100000688023_100000695029 [0,2,0,0,0,0|0,0,1]=3 11719 B11R0.4 C#CCCCOCC(C)CCC 7a_100000215630_100011216630 [0,2,0,0,0,0|0,0,1]=3 11720 B11R0.4 C#CCCCOCC(C)CCC 7a_100000688023_100011215417 [0,2,0,0,0,0|0,0,1]=3 11721 B11R0.4 C#CCCCOCC(C)CCN 34a_106354213184_100000695029 [0,2,0,0,0,0|0,0,2]=4 11722 B11R0.4 C#CCCCOCC(N)COC 34a_100000724102_100000695029 [0,2,0,0,0,0|0,0,2]=4 11723 B11R0.4 C#CCCCOCC(O)COC 34a_100000215630_100011215053 [0,2,0,0,0,0|0,0,2]=4 11724 B11R0.4 C#CCCCOCC(O)COC 7a_100000215630_100011215053 [0,2,0,0,0,0|0,0,2]=4 11725 B11R0.4 C#CCCCOC[C@@H](N)CCC 34a_100000732646_100000695029 [0,2,0,0,0,0|0,0,1]=3 11726 B11R0.4 C#CCCCSCC(C)CCC 62a_100011215417_100011216630 [0,2,0,0,0,0|0,1,1]=4 11727 B11R0.4 C#CCCCSCC(C)CCC 62a_100011216630_100011215417 [0,2,0,0,0,0|0,1,1]=4 11728 B11R0.4 C#CCCOCCC(C)CCC 34a_100011217855_100000688953 [0,2,0,0,0,0|0,0,2]=4 11729 B11R0.4 C#CCCOCCC(C)CCC 7a_100011217855_100000688953 [0,2,0,0,0,0|0,0,2]=4 11730 B11R0.4 C#CCCOCC[C@@H](N)CCC 34a_100015193777_100000688953 [0,2,0,0,0,0|0,0,2]=4 11731 B11R0.4 C#CCN(C)CCOCCCC 2230a_100000225692_100000743108 [0,2,0,0,0,0|0,0,2]=4 11732 B11R0.4 C#CCN(C)CCOCCCC 34a_100000225692_100000743108 [0,2,0,0,0,0|0,0,2]=4 11733 B11R0.4 C#CCOCCOC(C)CCC 34a_100000054580_100000766640 [0,2,0,0,0,0|0,0,2]=4 11734 B11R0.4 C#CCOCCOC(C)CCC 34a_100000764384_100010402529 [0,2,0,0,0,0|0,0,2]=4 11735 B11R0.4 C#CCOCCOC(C)CCC 7a_100000054580_100000766640 [0,2,0,0,0,0|0,0,2]=4 11736 B11R0.4 C#CCOCCOC(C)CCC 7a_100000764384_100010402529 [0,2,0,0,0,0|0,0,2]=4 11737 B11R0.4 C/C=C/C(C)OCCCCCC 34a_200102604097_100000210314 [0,2,0,0,0,0|0,0,2]=4 11738 B11R0.4 C/C=C/C(C)OCCCCCF 34a_200102604097_100000729378 [0,2,0,0,0,0|0,0,2]=4 11739 B11R0.4 C/C=C/C(C)OCCCCCO 34a_200102604097_100000746330 [0,2,0,0,0,0|0,0,2]=4 11740 B11R0.4 C/C=C/C(C)OCCCCOC 34a_200102604097_100000755781 [0,2,0,0,0,0|0,0,2]=4 11741 B11R0.4 C/C=C/C(C)OCCCOCC 34a_200102604097_100012232248 [0,2,0,0,0,0|0,0,2]=4 11742 B11R0.4 C/C=C/C(C)OCCOCCC 34a_200102604097_100011215938 [0,2,0,0,0,0|0,0,2]=4 11743 B11R0.4 C/C=C/C(C)OCOCCCC 34a_200102604097_100011995733 [0,2,0,0,0,0|0,0,2]=4 11744 B11R0.4 C/C=C/CCOCC(C)CCC 34a_100016278192_100011216630 [0,2,0,0,0,0|0,0,1]=3 11745 B11R0.4 C/C=C/CCOCC(O)COC 34a_100016278192_100011215053 [0,2,0,0,0,0|0,0,2]=4 11746 B11R0.4 C/C=C/COCCC(C)CCC 34a_100011217855_100102629194 [0,2,0,0,0,0|0,0,2]=4 11747 B11R0.4 C/C=C/COCCC(C)CCC 7a_100011217855_100102629194 [0,2,0,0,0,0|0,0,2]=4 11748 B11R0.4 C/C=C/COCC[C@@H](N)CCC 34a_100015193777_100102629194 [0,2,0,0,0,0|0,0,2]=4 11749 B11R0.4 C=CCC(=O)CCOCCCC 1458a_100000210193_100000743108 [0,2,0,0,0,0|0,0,2]=4 11750 B11R0.4 C=CCC(C)COCCCCC 34a_100009832082_100000718602 [0,2,0,0,0,0|0,0,1]=3 11751 B11R0.4 C=CCC(C)COCCCCC 7a_100009832082_100000210326 [0,2,0,0,0,0|0,0,1]=3 11752 B11R0.4 C=CCC(C)COCCCCF 34a_100009832082_100000729493 [0,2,0,0,0,0|0,0,2]=4 11753 B11R0.4 C=CCC(C)COCCCCF 7a_100009832082_100000729493 [0,2,0,0,0,0|0,0,2]=4 11754 B11R0.4 C=CCC(C)COCCCCO 34a_100009832082_100011216708 [0,2,0,0,0,0|0,0,2]=4 11755 B11R0.4 C=CCC(C)COCCCCO 7a_100009832082_100000210776 [0,2,0,0,0,0|0,0,2]=4 11756 B11R0.4 C=CCC(C)COCCCOC 34a_100009832082_100000740836 [0,2,0,0,0,0|0,0,2]=4 11757 B11R0.4 C=CCC(C)COCCCOC 7a_100009832082_100000740836 [0,2,0,0,0,0|0,0,2]=4 11758 B11R0.4 C=CCC(C)COCCOCC 34a_100009832082_100000210147 [0,2,0,0,0,0|0,0,2]=4 11759 B11R0.4 C=CCC(C)COCCOCC 7a_100009832082_100011215890 [0,2,0,0,0,0|0,0,2]=4 11760 B11R0.4 C=CCC(C)COCCSCC 34a_100009832082_100000757381 [0,2,0,0,0,0|0,0,2]=4 11761 B11R0.4 C=CCC(C)COCCSCC 7a_100009832082_100000757381 [0,2,0,0,0,0|0,0,2]=4 11762 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000703577_100000766640 [0,2,0,0,0,0|1,0,1]=4 11763 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000741246_100011215482 [0,2,0,0,0,0|1,0,1]=4 11764 B11R0.4 C=CCCCCNC(C)CCC 270004a_100000703577_100000211909 [0,2,0,0,0,0|1,0,1]=4 11765 B11R0.4 C=CCCCCNC(C)CCC 34a_100000703577_100000766640 [0,2,0,0,0,0|1,0,1]=4 11766 B11R0.4 C=CCCCCOC(C)CCBr 34a_100012276601_100011215482 [0,2,0,0,0,0|1,0,1]=4 11767 B11R0.4 C=CCCCCOC(C)CCC 34a_100000764384_100011215482 [0,2,0,0,0,0|0,0,1]=3 11768 B11R0.4 C=CCCCCOC(C)CCC 34a_100000766645_100000766640 [0,2,0,0,0,0|0,0,1]=3 11769 B11R0.4 C=CCCCCOC(C)CCC 7a_100000764384_100011215482 [0,2,0,0,0,0|0,0,1]=3 11770 B11R0.4 C=CCCCCOC(C)CCC 7a_100000766645_100000766640 [0,2,0,0,0,0|0,0,1]=3 11771 B11R0.4 C=CCCCCOC(C)CCO 34a_100000766645_100009893172 [0,2,0,0,0,0|1,0,1]=4 11772 B11R0.4 C=CCCCCOC(C)CCO 7a_100000766645_100009893172 [0,2,0,0,0,0|1,0,1]=4 11773 B11R0.4 C=CCCCCOC(C)COC 34a_100000766645_100000765312 [0,2,0,0,0,0|1,0,1]=4 11774 B11R0.4 C=CCCCCOC(C)COC 7a_100000766645_100000765312 [0,2,0,0,0,0|1,0,1]=4 11775 B11R0.4 C=CCCCCO[C@H](C)COC 34a_100011934205_100011215482 [0,2,0,0,0,0|1,0,1]=4 11776 B11R0.4 C=CCCCCSC(C)CCC 62a_100000766640_100011215482 [0,2,0,0,0,0|0,1,1]=4 11777 B11R0.4 C=CCCCCSC(C)CCC 62a_100011215482_100000766640 [0,2,0,0,0,0|0,1,1]=4 11778 B11R0.4 C=CCCCNCC(C)CCC 2230a_100000700776_100011216630 [0,2,0,0,0,0|1,0,1]=4 11779 B11R0.4 C=CCCCNCC(C)CCC 270004a_100000700776_100000243154 [0,2,0,0,0,0|1,0,1]=4 11780 B11R0.4 C=CCCCNCC(C)CCC 34a_100000700776_100011216630 [0,2,0,0,0,0|1,0,1]=4 11781 B11R0.4 C=CCCCOCC(=O)CCC 7a_100000758997_100000747444 [0,2,0,0,0,0|0,0,2]=4 11782 B11R0.4 C=CCCCOCC(C)CCC 34a_100000688023_100000757094 [0,2,0,0,0,0|0,0,1]=3 11783 B11R0.4 C=CCCCOCC(C)CCC 34a_100000758997_100011216630 [0,2,0,0,0,0|0,0,1]=3 11784 B11R0.4 C=CCCCOCC(C)CCC 7a_100000688023_100000757094 [0,2,0,0,0,0|0,0,1]=3 11785 B11R0.4 C=CCCCOCC(C)CCC 7a_100000758997_100011216630 [0,2,0,0,0,0|0,0,1]=3 11786 B11R0.4 C=CCCCOCC(C)CCN 34a_106354213184_100000757094 [0,2,0,0,0,0|0,0,2]=4 11787 B11R0.4 C=CCCCOCC(N)COC 34a_100000724102_100000757094 [0,2,0,0,0,0|0,0,2]=4 11788 B11R0.4 C=CCCCOCC(O)COC 34a_100000758997_100011215053 [0,2,0,0,0,0|0,0,2]=4 11789 B11R0.4 C=CCCCOCC(O)COC 7a_100000758997_100011215053 [0,2,0,0,0,0|0,0,2]=4 11790 B11R0.4 C=CCCCOC[C@@H](N)CCC 34a_100000732646_100000757094 [0,2,0,0,0,0|0,0,1]=3 11791 B11R0.4 C=CCCCSCC(C)CCC 62a_100011216630_100000757094 [0,2,0,0,0,0|0,1,1]=4 11792 B11R0.4 C=CCCCSCC(C)CCC 62a_100011713584_100011216630 [0,2,0,0,0,0|0,1,1]=4 11793 B11R0.4 C=CCCOCCC(C)CCC 34a_100011217855_100000754431 [0,2,0,0,0,0|0,0,2]=4 11794 B11R0.4 C=CCCOCCC(C)CCC 7a_100011217855_100000754431 [0,2,0,0,0,0|0,0,2]=4 11795 B11R0.4 C=CCCOCC[C@@H](N)CCC 34a_100015193777_100000754431 [0,2,0,0,0,0|0,0,2]=4 11796 B11R0.4 C=CCN(C)CCOCCCC 2230a_100000225617_100000743108 [0,2,0,0,0,0|0,0,2]=4 11797 B11R0.4 C=CCN(C)CCOCCCC 269982a_100000225617_100000743108 [0,2,0,0,0,0|0,0,2]=4 11798 B11R0.4 C=CCOCCOC(C)CCC 34a_100000037705_100000766640 [0,2,0,0,0,0|0,0,2]=4 11799 B11R0.4 C=CCOCCOC(C)CCC 7a_100000037705_100000766640 [0,2,0,0,0,0|0,0,2]=4 11800 B11R0.4 C=CC[C@@H](C)OCCCCCC 34a_100000731007_100000210314 [0,2,0,0,0,0|0,0,2]=4 11801 B11R0.4 C=CC[C@@H](C)OCCCCCC 7a_100000731007_100000210314 [0,2,0,0,0,0|0,0,2]=4 11802 B11R0.4 C=CC[C@@H](C)OCCCCCF 34a_100000731007_100000729378 [0,2,0,0,0,0|0,0,2]=4 11803 B11R0.4 C=CC[C@@H](C)OCCCCCF 7a_100000731007_100000729378 [0,2,0,0,0,0|0,0,2]=4 11804 B11R0.4 C=CC[C@@H](C)OCCCCCO 34a_100000731007_100000746330 [0,2,0,0,0,0|0,0,2]=4 11805 B11R0.4 C=CC[C@@H](C)OCCCCCO 7a_100000731007_100000746330 [0,2,0,0,0,0|0,0,2]=4 11806 B11R0.4 C=CC[C@@H](C)OCCCCOC 34a_100000731007_100000755781 [0,2,0,0,0,0|0,0,2]=4 11807 B11R0.4 C=CC[C@@H](C)OCCCCOC 7a_100000731007_100000730899 [0,2,0,0,0,0|0,0,2]=4 11808 B11R0.4 C=CC[C@@H](C)OCCCOCC 34a_100000731007_100012232248 [0,2,0,0,0,0|0,0,2]=4 11809 B11R0.4 C=CC[C@@H](C)OCCCOCC 7a_100000731007_100012232248 [0,2,0,0,0,0|0,0,2]=4 11810 B11R0.4 C=CC[C@@H](C)OCCOCCC 34a_100000731007_100011215938 [0,2,0,0,0,0|0,0,2]=4 11811 B11R0.4 C=CC[C@@H](C)OCCOCCC 7a_100000731007_100011215938 [0,2,0,0,0,0|0,0,2]=4 11812 B11R0.4 C=CC[C@@H](C)OCOCCCC 34a_100000731007_100011995733 [0,2,0,0,0,0|0,0,2]=4 11813 B11R0.4 C=CC[C@@H](N)COCCCCC 34a_100020615467_100000718602 [0,2,0,0,0,0|0,0,1]=3 11814 B11R0.4 C=CC[C@@H](N)COCCCCF 34a_100020615467_100000729493 [0,2,0,0,0,0|0,0,2]=4 11815 B11R0.4 C=CC[C@@H](N)COCCCCO 34a_100020615467_100011216708 [0,2,0,0,0,0|0,0,2]=4 11816 B11R0.4 C=CC[C@@H](N)COCCCOC 34a_100020615467_100000740836 [0,2,0,0,0,0|0,0,2]=4 11817 B11R0.4 C=CC[C@@H](N)COCCOCC 34a_100020615467_100000210147 [0,2,0,0,0,0|0,0,2]=4 11818 B11R0.4 C=CC[C@@H](N)COCCSCC 34a_100020615467_100000757381 [0,2,0,0,0,0|0,0,2]=4 11819 B11R0.4 C=COCCOCC(C)CCC 34a_100000033082_100011216630 [0,2,0,0,0,0|0,0,2]=4 11820 B11R0.4 C=COCCOCC(C)CCC 34a_100000688023_100000039644 [0,2,0,0,0,0|0,0,2]=4 11821 B11R0.4 C=COCCOCC(C)CCC 7a_100000688023_100000039644 [0,2,0,0,0,0|0,0,2]=4 11822 B11R0.4 C=COCCOC[C@@H](N)CCC 34a_100000732646_100000039644 [0,2,0,0,0,0|0,0,2]=4 11823 B11R0.4 CC#CC(=O)CCOCCCC 1458a_100000763181_100000743108 [0,2,0,0,0,0|0,0,2]=4 11824 B11R0.4 CC#CC(C)OCCCCCC 34a_100011216543_100000210314 [0,2,0,0,0,0|0,0,2]=4 11825 B11R0.4 CC#CC(C)OCCCCCF 34a_100011216543_100000729378 [0,2,0,0,0,0|0,0,2]=4 11826 B11R0.4 CC#CC(C)OCCCCCO 34a_100011216543_100000746330 [0,2,0,0,0,0|0,0,2]=4 11827 B11R0.4 CC#CC(C)OCCCCOC 34a_100011216543_100000755781 [0,2,0,0,0,0|0,0,2]=4 11828 B11R0.4 CC#CC(C)OCCCOCC 34a_100011216543_100012232248 [0,2,0,0,0,0|0,0,2]=4 11829 B11R0.4 CC#CC(C)OCCOCCC 34a_100011216543_100011215938 [0,2,0,0,0,0|0,0,2]=4 11830 B11R0.4 CC#CC(C)OCOCCCC 34a_100011216543_100011995733 [0,2,0,0,0,0|0,0,2]=4 11831 B11R0.4 CC#CCCOCC(C)CCC 34a_100000750427_100011216630 [0,2,0,0,0,0|0,0,1]=3 11832 B11R0.4 CC#CCCOCC(O)COC 34a_100000750427_100011215053 [0,2,0,0,0,0|0,0,2]=4 11833 B11R0.4 CC#CCOCCC(C)CCC 34a_100011217855_100000748600 [0,2,0,0,0,0|0,0,2]=4 11834 B11R0.4 CC#CCOCCC(C)CCC 7a_100011217855_100000748600 [0,2,0,0,0,0|0,0,2]=4 11835 B11R0.4 CC#CCOCC[C@@H](N)CCC 34a_100015193777_100000748600 [0,2,0,0,0,0|0,0,2]=4 11836 B11R0.4 CC(CC#N)OCCCCCBr 7a_100000746331_100009813641 [0,2,0,0,0,0|1,0,1]=4 11837 B11R0.4 CC(CC#N)OCCCCCCl 7a_100000746330_100009813641 [0,2,0,0,0,0|1,0,1]=4 11838 B11R0.4 CC(CC#N)OCCCCCI 7a_200012148887_100009813641 [0,2,0,0,0,0|1,0,1]=4 11839 B11R0.4 CC(CCBr)OCCCCCF 34a_100012276601_100000729378 [0,2,0,0,0,0|1,0,0]=3 11840 B11R0.4 CC(CCBr)OCCCCCO 34a_100012276601_100000746330 [0,2,0,0,0,0|1,0,0]=3 11841 B11R0.4 CC(CCBr)OCCOCCO 34a_100012276601_100000692535 [0,2,0,0,0,0|2,0,0]=4 11842 B11R0.4 CC(CCN)COCCCCF 34a_106354213184_100000729493 [0,2,0,0,0,0|1,0,0]=3 11843 B11R0.4 CC(CCN)COCCCCO 34a_106354213184_100011216708 [0,2,0,0,0,0|1,0,0]=3 11844 B11R0.4 CC(CCO)NCCCCCO 2230a_100000762737_100009893172 [0,2,0,0,0,0|2,0,0]=4 11845 B11R0.4 CC(CCO)NCCCCCO 34a_100000762737_100009893172 [0,2,0,0,0,0|2,0,0]=4 11846 B11R0.4 CC(CCO)OCCCCCBr 34a_100000746331_100009893172 [0,2,0,0,0,0|1,0,0]=3 11847 B11R0.4 CC(CCO)OCCCCCBr 7a_100000746331_100009893172 [0,2,0,0,0,0|1,0,0]=3 11848 B11R0.4 CC(CCO)OCCCCCCl 34a_100000746330_100009893172 [0,2,0,0,0,0|1,0,0]=3 11849 B11R0.4 CC(CCO)OCCCCCCl 7a_100000746330_100009893172 [0,2,0,0,0,0|1,0,0]=3 11850 B11R0.4 CC(CCO)OCCCCCI 34a_200012148887_100009893172 [0,2,0,0,0,0|1,0,0]=3 11851 B11R0.4 CC(CCO)OCCCCCI 7a_200012148887_100009893172 [0,2,0,0,0,0|1,0,0]=3 11852 B11R0.4 CC(CCO)OCCCCCN 34a_100000762737_100009893172 [0,2,0,0,0,0|1,0,0]=3 11853 B11R0.4 CC(CCO)OCCOCCBr 34a_100000692535_100009893172 [0,2,0,0,0,0|2,0,0]=4 11854 B11R0.4 CC(CCO)OCCOCCBr 7a_100000692535_100009893172 [0,2,0,0,0,0|2,0,0]=4 11855 B11R0.4 CC(CCO)OCCOCCCl 34a_100011215305_100009893172 [0,2,0,0,0,0|2,0,0]=4 11856 B11R0.4 CC(CCO)OCCOCCCl 7a_100011215305_100009893172 [0,2,0,0,0,0|2,0,0]=4 11857 B11R0.4 CC(CCO)OCCOCCF 34a_200015357709_100009893172 [0,2,0,0,0,0|2,0,0]=4 11858 B11R0.4 CC(CCO)OCCOCCF 7a_200015357709_100009893172 [0,2,0,0,0,0|2,0,0]=4 11859 B11R0.4 CC(CCO)OCCOCCI 34a_100012149058_100009893172 [0,2,0,0,0,0|2,0,0]=4 11860 B11R0.4 CC(CCO)OCCOCCI 7a_100012149058_100009893172 [0,2,0,0,0,0|2,0,0]=4 11861 B11R0.4 CC(CCO)OCCOCCN 34a_100000211614_100009893172 [0,2,0,0,0,0|2,0,0]=4 11862 B11R0.4 CC(CCO)SCCCCCF 62a_100000729378_100009893172 [0,2,0,0,0,0|1,1,0]=4 11863 B11R0.4 CC(CCO)SCCCCCF 62a_100009893172_100000729378 [0,2,0,0,0,0|1,1,0]=4 11864 B11R0.4 CC(CCO)SCCCCCO 62a_100000746330_100009893172 [0,2,0,0,0,0|1,1,0]=4 11865 B11R0.4 CC(CCO)SCCCCCO 62a_100009893172_100000746330 [0,2,0,0,0,0|1,1,0]=4 11866 B11R0.4 CC/C=C\CCNC(C)CCC 2230a_100000741246_100015370543 [0,2,0,0,0,0|1,0,1]=4 11867 B11R0.4 CC/C=C\CCOC(C)CCBr 34a_100012276601_100015370543 [0,2,0,0,0,0|1,0,1]=4 11868 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100000764384_100015370543 [0,2,0,0,0,0|0,0,1]=3 11869 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100016288707_100000766640 [0,2,0,0,0,0|0,0,1]=3 11870 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100000764384_100015370543 [0,2,0,0,0,0|0,0,1]=3 11871 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100016288707_100000766640 [0,2,0,0,0,0|0,0,1]=3 11872 B11R0.4 CC/C=C\CCOC(C)CCO 34a_100016288707_100009893172 [0,2,0,0,0,0|1,0,1]=4 11873 B11R0.4 CC/C=C\CCOC(C)CCO 7a_100016288707_100009893172 [0,2,0,0,0,0|1,0,1]=4 11874 B11R0.4 CC/C=C\CCOC(C)COC 34a_100016288707_100000765312 [0,2,0,0,0,0|1,0,1]=4 11875 B11R0.4 CC/C=C\CCOC(C)COC 7a_100016288707_100000765312 [0,2,0,0,0,0|1,0,1]=4 11876 B11R0.4 CC/C=C\CCO[C@H](C)COC 34a_100011934205_100015370543 [0,2,0,0,0,0|1,0,1]=4 11877 B11R0.4 CC/C=C\CCSC(C)CCC 62a_100000766640_100015370543 [0,2,0,0,0,0|0,1,1]=4 11878 B11R0.4 CC/C=C\CCSC(C)CCC 62a_100015370543_100000766640 [0,2,0,0,0,0|0,1,1]=4 11879 B11R0.4 CC/C=C\COCC(C)CCC 34a_100000688023_100103147603 [0,2,0,0,0,0|0,0,1]=3 11880 B11R0.4 CC/C=C\COCC(C)CCC 34a_100016268518_100011216630 [0,2,0,0,0,0|0,0,1]=3 11881 B11R0.4 CC/C=C\COCC(C)CCC 7a_100000688023_100103147603 [0,2,0,0,0,0|0,0,1]=3 11882 B11R0.4 CC/C=C\COCC(C)CCN 34a_106354213184_100103147603 [0,2,0,0,0,0|0,0,2]=4 11883 B11R0.4 CC/C=C\COCC(N)COC 34a_100000724102_100103147603 [0,2,0,0,0,0|0,0,2]=4 11884 B11R0.4 CC/C=C\COCC(O)COC 34a_100016268518_100011215053 [0,2,0,0,0,0|0,0,2]=4 11885 B11R0.4 CC/C=C\COC[C@@H](N)CCC 34a_100000732646_100103147603 [0,2,0,0,0,0|0,0,1]=3 11886 B11R0.4 CC/C=C\CSCC(C)CCC 62a_100011216630_100103147603 [0,2,0,0,0,0|0,1,1]=4 11887 B11R0.4 CC/C=C\CSCC(C)CCC 62a_100103147603_100011216630 [0,2,0,0,0,0|0,1,1]=4 11888 B11R0.4 CC=C=CCCOC(C)CCC 34a_100011020354_100000766640 [0,2,0,0,0,0|0,0,2]=4 11889 B11R0.4 CC=CC(=O)CCOCCCC 1458a_100000210699_100000743108 [0,2,0,0,0,0|0,0,2]=4 11890 B11R0.4 CC=CCCCOC(C)CCC 34a_100020645299_100000766640 [0,2,0,0,0,0|0,0,1]=3 11891 B11R0.4 CC=CCCCOC(C)CCO 34a_100020645299_100009893172 [0,2,0,0,0,0|1,0,1]=4 11892 B11R0.4 CC=CCCCOC(C)COC 34a_100020645299_100000765312 [0,2,0,0,0,0|1,0,1]=4 11893 B11R0.4 CC=CCOCCC(C)CCC 34a_100011217855_100000070051 [0,2,0,0,0,0|0,0,2]=4 11894 B11R0.4 CC=CCOCCC(C)CCC 7a_100011217855_100000070051 [0,2,0,0,0,0|0,0,2]=4 11895 B11R0.4 CC=CCOCC[C@@H](N)CCC 34a_100015193777_100000070051 [0,2,0,0,0,0|0,0,2]=4 11896 B11R0.4 CCC#CCCOC(C)CCC 34a_100000036655_100000766640 [0,2,0,0,0,0|0,0,1]=3 11897 B11R0.4 CCC#CCCOC(C)CCC 7a_100000036655_100000766640 [0,2,0,0,0,0|0,0,1]=3 11898 B11R0.4 CCC#CCCOC(C)CCO 34a_100000036655_100009893172 [0,2,0,0,0,0|1,0,1]=4 11899 B11R0.4 CCC#CCCOC(C)CCO 7a_100000036655_100009893172 [0,2,0,0,0,0|1,0,1]=4 11900 B11R0.4 CCC#CCCOC(C)COC 34a_100000036655_100000765312 [0,2,0,0,0,0|1,0,1]=4 11901 B11R0.4 CCC#CCCOC(C)COC 7a_100000036655_100000765312 [0,2,0,0,0,0|1,0,1]=4 11902 B11R0.4 CCC#CCOCC(C)CCC 34a_100000032950_100011216630 [0,2,0,0,0,0|0,0,1]=3 11903 B11R0.4 CCC#CCOCC(C)CCC 34a_100000688023_100009813939 [0,2,0,0,0,0|0,0,1]=3 11904 B11R0.4 CCC#CCOCC(C)CCC 7a_100000688023_100009813939 [0,2,0,0,0,0|0,0,1]=3 11905 B11R0.4 CCC#CCOCC(C)CCN 34a_106354213184_100009813939 [0,2,0,0,0,0|0,0,2]=4 11906 B11R0.4 CCC#CCOCC(N)COC 34a_100000724102_100009813939 [0,2,0,0,0,0|0,0,2]=4 11907 B11R0.4 CCC#CCOCC(O)COC 34a_100000032950_100011215053 [0,2,0,0,0,0|0,0,2]=4 11908 B11R0.4 CCC#CCOC[C@@H](N)CCC 34a_100000732646_100009813939 [0,2,0,0,0,0|0,0,1]=3 11909 B11R0.4 CCC#CCSCC(C)CCC 62a_100009813939_100011216630 [0,2,0,0,0,0|0,1,1]=4 11910 B11R0.4 CCC#CCSCC(C)CCC 62a_100011216630_100009813939 [0,2,0,0,0,0|0,1,1]=4 11911 B11R0.4 CCC/C=C/COC(C)CCC 34a_100016278788_100000766640 [0,2,0,0,0,0|0,0,1]=3 11912 B11R0.4 CCC/C=C/COC(C)CCC 7a_100016278788_100000766640 [0,2,0,0,0,0|0,0,1]=3 11913 B11R0.4 CCC/C=C/COC(C)CCO 34a_100016278788_100009893172 [0,2,0,0,0,0|1,0,1]=4 11914 B11R0.4 CCC/C=C/COC(C)CCO 7a_100016278788_100009893172 [0,2,0,0,0,0|1,0,1]=4 11915 B11R0.4 CCC/C=C/COC(C)COC 34a_100016278788_100000765312 [0,2,0,0,0,0|1,0,1]=4 11916 B11R0.4 CCC/C=C/COC(C)COC 7a_100016278788_100000765312 [0,2,0,0,0,0|1,0,1]=4 11917 B11R0.4 CCCC#CCOC(C)CCC 34a_100000034806_100000766640 [0,2,0,0,0,0|0,0,1]=3 11918 B11R0.4 CCCC#CCOC(C)CCC 7a_100000034806_100000766640 [0,2,0,0,0,0|0,0,1]=3 11919 B11R0.4 CCCC#CCOC(C)CCO 34a_100000034806_100009893172 [0,2,0,0,0,0|1,0,1]=4 11920 B11R0.4 CCCC#CCOC(C)CCO 7a_100000034806_100009893172 [0,2,0,0,0,0|1,0,1]=4 11921 B11R0.4 CCCC#CCOC(C)COC 34a_100000034806_100000765312 [0,2,0,0,0,0|1,0,1]=4 11922 B11R0.4 CCCC#CCOC(C)COC 7a_100000034806_100000765312 [0,2,0,0,0,0|1,0,1]=4 11923 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,2,0,0,0,0|1,0,1]=4 11924 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,2,0,0,0,0|1,0,1]=4 11925 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,2,0,0,0,0|1,0,1]=4 11926 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,2,0,0,0,0|1,0,1]=4 11927 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000211992_100000695917 [0,2,0,0,0,0|1,0,0]=3 11928 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000745395_100000210303 [0,2,0,0,0,0|1,0,0]=3 11929 B11R0.4 CCCC(=O)CNCCCCO 2230a_100000750430_100000747444 [0,2,0,0,0,0|1,0,1]=4 11930 B11R0.4 CCCC(=O)CNCCCSC 2230a_100000749238_100000747444 [0,2,0,0,0,0|1,0,1]=4 11931 B11R0.4 CCCC(=O)CNCCOCC 2230a_102516460346_100000747444 [0,2,0,0,0,0|1,0,1]=4 11932 B11R0.4 CCCC(=O)CNCCSCC 2230a_100000106463_100000747444 [0,2,0,0,0,0|1,0,1]=4 11933 B11R0.4 CCCC(=O)COCCCCCl 7a_100000210776_100000747444 [0,2,0,0,0,0|0,0,1]=3 11934 B11R0.4 CCCC(=O)COCCCCF 7a_100011995726_100000747444 [0,2,0,0,0,0|0,0,1]=3 11935 B11R0.4 CCCC(=O)COCCCSC 7a_100000690336_100000747444 [0,2,0,0,0,0|0,0,1]=3 11936 B11R0.4 CCCC(=O)COCCOCC 7a_100000210136_100000747444 [0,2,0,0,0,0|0,0,1]=3 11937 B11R0.4 CCCC(=O)COCCSCC 7a_100000212035_100000747444 [0,2,0,0,0,0|0,0,1]=3 11938 B11R0.4 CCCC(=O)CSCCCCF 62a_100000729493_100000747444 [0,2,0,0,0,0|0,1,1]=4 11939 B11R0.4 CCCC(=O)CSCCCCF 62a_100000747444_100000729493 [0,2,0,0,0,0|0,1,1]=4 11940 B11R0.4 CCCC(=O)CSCCCCO 62a_100000210776_100000747444 [0,2,0,0,0,0|0,1,1]=4 11941 B11R0.4 CCCC(=O)CSCCCCO 62a_100000747444_100000210776 [0,2,0,0,0,0|0,1,1]=4 11942 B11R0.4 CCCC(=O)CSCCCOC 62a_100000709357_100000747444 [0,2,0,0,0,0|0,1,1]=4 11943 B11R0.4 CCCC(=O)CSCCCOC 62a_100000747444_100000709357 [0,2,0,0,0,0|0,1,1]=4 11944 B11R0.4 CCCC(=O)CSCCOCC 62a_100000210147_100000747444 [0,2,0,0,0,0|0,1,1]=4 11945 B11R0.4 CCCC(=O)CSCCOCC 62a_100000747444_100011215890 [0,2,0,0,0,0|0,1,1]=4 11946 B11R0.4 CCCC(=O)CSCCSCC 62a_100000747444_100000757381 [0,2,0,0,0,0|0,1,1]=4 11947 B11R0.4 CCCC(=O)CSCCSCC 62a_100000757381_100000747444 [0,2,0,0,0,0|0,1,1]=4 11948 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [0,2,0,0,0,0|1,0,1]=4 11949 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [0,2,0,0,0,0|1,0,1]=4 11950 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [0,2,0,0,0,0|1,0,1]=4 11951 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [0,2,0,0,0,0|1,0,1]=4 11952 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [0,2,0,0,0,0|1,0,1]=4 11953 B11R0.4 CCCC(=O)OCNCCCF 2230a_100015189416_100000034017 [0,2,0,0,0,0|1,0,1]=4 11954 B11R0.4 CCCC(=O)OCNCCCF 34a_100015189416_100000034017 [0,2,0,0,0,0|1,0,1]=4 11955 B11R0.4 CCCC(=O)OCNCCOC 2230a_100000209980_100000034017 [0,2,0,0,0,0|1,0,1]=4 11956 B11R0.4 CCCC(=O)OCNCCSC 2230a_100020590264_100000034017 [0,2,0,0,0,0|1,0,1]=4 11957 B11R0.4 CCCC(=O)OCOCCCBr 34a_100011217188_100000034017 [0,2,0,0,0,0|1,0,1]=4 11958 B11R0.4 CCCC(=O)OCOCCCCl 34a_100000230001_100000034017 [0,2,0,0,0,0|1,0,1]=4 11959 B11R0.4 CCCC(=O)OCOCCCF 34a_100000759539_100000034017 [0,2,0,0,0,0|1,0,1]=4 11960 B11R0.4 CCCC(=O)OCOCCCN 34a_100000182051_100000034017 [0,2,0,0,0,0|1,0,1]=4 11961 B11R0.4 CCCC(=O)OCOCCOC 34a_100000210237_100000034017 [0,2,0,0,0,0|1,0,1]=4 11962 B11R0.4 CCCC(=O)OCOCCSC 34a_100000230434_100000034017 [0,2,0,0,0,0|1,0,1]=4 11963 B11R0.4 CCCC(=O)OCSCCCF 62a_100011934791_100000034017 [0,2,0,0,0,0|1,0,1]=4 11964 B11R0.4 CCCC(=O)OCSCCCO 62a_100011215043_100000034017 [0,2,0,0,0,0|1,0,1]=4 11965 B11R0.4 CCCC(=O)OCSCCOC 62a_100000233755_100000034017 [0,2,0,0,0,0|1,0,1]=4 11966 B11R0.4 CCCC(=O)OCSCCSC 62a_100000212216_100000034017 [0,2,0,0,0,0|1,0,1]=4 11967 B11R0.4 CCCC(=O)OCSCOCC 62a_100000739092_100000034017 [0,2,0,0,0,0|1,0,1]=4 11968 B11R0.4 CCCC(C)CCCOCCF 34a_100011713154_100011217306 [0,2,0,0,0,0|2,0,0]=4 11969 B11R0.4 CCCC(C)CCCOCCF 7a_100011713154_100011217306 [0,2,0,0,0,0|2,0,0]=4 11970 B11R0.4 CCCC(C)CCCOCCO 34a_100011713154_100000211926 [0,2,0,0,0,0|2,0,0]=4 11971 B11R0.4 CCCC(C)CCCOCCO 7a_100011713154_100000211926 [0,2,0,0,0,0|2,0,0]=4 11972 B11R0.4 CCCC(C)CCCOCSC 34a_100011713154_100011218213 [0,2,0,0,0,0|2,0,0]=4 11973 B11R0.4 CCCC(C)CCOCCC#N 7a_100011217855_100000184422 [0,2,0,0,0,0|1,0,1]=4 11974 B11R0.4 CCCC(C)CCOCCCF 34a_100011217855_100011934791 [0,2,0,0,0,0|1,0,0]=3 11975 B11R0.4 CCCC(C)CCOCCCF 7a_100011217855_100011934791 [0,2,0,0,0,0|1,0,0]=3 11976 B11R0.4 CCCC(C)CCOCCCO 34a_100011217855_100000230001 [0,2,0,0,0,0|1,0,0]=3 11977 B11R0.4 CCCC(C)CCOCCCO 7a_100011217855_100011215043 [0,2,0,0,0,0|1,0,0]=3 11978 B11R0.4 CCCC(C)CCOCCOC 34a_100011217855_100011201679 [0,2,0,0,0,0|1,0,0]=3 11979 B11R0.4 CCCC(C)CCOCCOC 7a_100011217855_100000233755 [0,2,0,0,0,0|1,0,0]=3 11980 B11R0.4 CCCC(C)CCOCCSC 34a_100011217855_100000212216 [0,2,0,0,0,0|1,0,0]=3 11981 B11R0.4 CCCC(C)CCOCCSC 7a_100011217855_100000212216 [0,2,0,0,0,0|1,0,0]=3 11982 B11R0.4 CCCC(C)CNCCCCO 2230a_100000750430_100011216630 [0,2,0,0,0,0|1,0,0]=3 11983 B11R0.4 CCCC(C)CNCCCCO 270004a_100000750430_100000243154 [0,2,0,0,0,0|1,0,0]=3 11984 B11R0.4 CCCC(C)CNCCCCO 34a_100000750430_100011216630 [0,2,0,0,0,0|1,0,0]=3 11985 B11R0.4 CCCC(C)CNCCCOC 270004a_100150723488_100000243154 [0,2,0,0,0,0|1,0,0]=3 11986 B11R0.4 CCCC(C)CNCCCOC 34a_100150723488_100011216630 [0,2,0,0,0,0|1,0,0]=3 11987 B11R0.4 CCCC(C)CNCCCSC 2230a_100000749238_100011216630 [0,2,0,0,0,0|1,0,0]=3 11988 B11R0.4 CCCC(C)CNCCCSC 270004a_100000749238_100000243154 [0,2,0,0,0,0|1,0,0]=3 11989 B11R0.4 CCCC(C)CNCCOCC 2230a_102516460346_100011216630 [0,2,0,0,0,0|1,0,0]=3 11990 B11R0.4 CCCC(C)CNCCOCC 270004a_102516460346_100000243154 [0,2,0,0,0,0|1,0,0]=3 11991 B11R0.4 CCCC(C)CNCCOCC 34a_102516460346_100011216630 [0,2,0,0,0,0|1,0,0]=3 11992 B11R0.4 CCCC(C)CNCCSCC 2230a_100000106463_100011216630 [0,2,0,0,0,0|1,0,0]=3 11993 B11R0.4 CCCC(C)CNCCSCC 270004a_100000106463_100000243154 [0,2,0,0,0,0|1,0,0]=3 11994 B11R0.4 CCCC(C)COCC#CCCl 34a_200000047223_100011216630 [0,2,0,0,0,0|0,0,2]=4 11995 B11R0.4 CCCC(C)COCC#CCO 34a_100000688023_200000047223 [0,2,0,0,0,0|0,0,2]=4 11996 B11R0.4 CCCC(C)COCC#CCO 7a_100000688023_200000047223 [0,2,0,0,0,0|0,0,2]=4 11997 B11R0.4 CCCC(C)COCCCC#N 7a_100000688023_100000687738 [0,2,0,0,0,0|0,0,1]=3 11998 B11R0.4 CCCC(C)COCCCC=O 7a_100000688023_200011292268 [0,2,0,0,0,0|0,0,1]=3 11999 B11R0.4 CCCC(C)COCCCCBr 34a_100011216708_100011216630 [0,2,0,0,0,0|0,0,0]=2 12000 B11R0.4 CCCC(C)COCCCCCl 34a_100000210776_100011216630 [0,2,0,0,0,0|0,0,0]=2 12001 B11R0.4 CCCC(C)COCCCCCl 7a_100000210776_100011216630 [0,2,0,0,0,0|0,0,0]=2 12002 B11R0.4 CCCC(C)COCCCCF 34a_100000688023_100000729493 [0,2,0,0,0,0|0,0,0]=2 12003 B11R0.4 CCCC(C)COCCCCF 34a_100011995726_100011216630 [0,2,0,0,0,0|0,0,0]=2 12004 B11R0.4 CCCC(C)COCCCCF 7a_100000688023_100000729493 [0,2,0,0,0,0|0,0,0]=2 12005 B11R0.4 CCCC(C)COCCCCF 7a_100011995726_100011216630 [0,2,0,0,0,0|0,0,0]=2 12006 B11R0.4 CCCC(C)COCCCCI 34a_200012148704_100011216630 [0,2,0,0,0,0|0,0,0]=2 12007 B11R0.4 CCCC(C)COCCCCN 34a_100000750430_100011216630 [0,2,0,0,0,0|0,0,0]=2 12008 B11R0.4 CCCC(C)COCCCCO 34a_100000688023_100011216708 [0,2,0,0,0,0|0,0,0]=2 12009 B11R0.4 CCCC(C)COCCCCO 7a_100000688023_100000210776 [0,2,0,0,0,0|0,0,0]=2 12010 B11R0.4 CCCC(C)COCCCNC 34a_100000213112_100011216630 [0,2,0,0,0,0|0,0,0]=2 12011 B11R0.4 CCCC(C)COCCCOC 34a_100000688023_100000740836 [0,2,0,0,0,0|0,0,0]=2 12012 B11R0.4 CCCC(C)COCCCOC 34a_100000740835_100011216630 [0,2,0,0,0,0|0,0,0]=2 12013 B11R0.4 CCCC(C)COCCCOC 7a_100000688023_100000740836 [0,2,0,0,0,0|0,0,0]=2 12014 B11R0.4 CCCC(C)COCCCSC 34a_100000690336_100011216630 [0,2,0,0,0,0|0,0,0]=2 12015 B11R0.4 CCCC(C)COCCCSC 7a_100000690336_100011216630 [0,2,0,0,0,0|0,0,0]=2 12016 B11R0.4 CCCC(C)COCCOCC 34a_100000210136_100011216630 [0,2,0,0,0,0|0,0,0]=2 12017 B11R0.4 CCCC(C)COCCOCC 34a_100000688023_100000210147 [0,2,0,0,0,0|0,0,0]=2 12018 B11R0.4 CCCC(C)COCCOCC 7a_100000210136_100011216630 [0,2,0,0,0,0|0,0,0]=2 12019 B11R0.4 CCCC(C)COCCOCC 7a_100000688023_100011215890 [0,2,0,0,0,0|0,0,0]=2 12020 B11R0.4 CCCC(C)COCCSCC 34a_100000212035_100011216630 [0,2,0,0,0,0|0,0,0]=2 12021 B11R0.4 CCCC(C)COCCSCC 34a_100000688023_100000757381 [0,2,0,0,0,0|0,0,0]=2 12022 B11R0.4 CCCC(C)COCCSCC 7a_100000212035_100011216630 [0,2,0,0,0,0|0,0,0]=2 12023 B11R0.4 CCCC(C)COCCSCC 7a_100000688023_100000757381 [0,2,0,0,0,0|0,0,0]=2 12024 B11R0.4 CCCC(C)CSCCCC#N 62a_100000687738_100011216630 [0,2,0,0,0,0|0,1,1]=4 12025 B11R0.4 CCCC(C)CSCCCC#N 62a_100011216630_100000687738 [0,2,0,0,0,0|0,1,1]=4 12026 B11R0.4 CCCC(C)CSCCCC=O 62a_100011216630_200011292268 [0,2,0,0,0,0|0,1,1]=4 12027 B11R0.4 CCCC(C)CSCCCC=O 62a_200011292268_100011216630 [0,2,0,0,0,0|0,1,1]=4 12028 B11R0.4 CCCC(C)CSCCCCF 62a_100000729493_100011216630 [0,2,0,0,0,0|0,1,0]=3 12029 B11R0.4 CCCC(C)CSCCCCF 62a_100011216630_100000729493 [0,2,0,0,0,0|0,1,0]=3 12030 B11R0.4 CCCC(C)CSCCCCO 62a_100000210776_100011216630 [0,2,0,0,0,0|0,1,0]=3 12031 B11R0.4 CCCC(C)CSCCCCO 62a_100011216630_100000210776 [0,2,0,0,0,0|0,1,0]=3 12032 B11R0.4 CCCC(C)CSCCCOC 62a_100000709357_100011216630 [0,2,0,0,0,0|0,1,0]=3 12033 B11R0.4 CCCC(C)CSCCCOC 62a_100011216630_100000709357 [0,2,0,0,0,0|0,1,0]=3 12034 B11R0.4 CCCC(C)CSCCOCC 62a_100000210147_100011216630 [0,2,0,0,0,0|0,1,0]=3 12035 B11R0.4 CCCC(C)CSCCOCC 62a_100011216630_100011215890 [0,2,0,0,0,0|0,1,0]=3 12036 B11R0.4 CCCC(C)CSCCSCC 62a_100000757381_100011216630 [0,2,0,0,0,0|0,1,0]=3 12037 B11R0.4 CCCC(C)CSCCSCC 62a_100011216630_100000757381 [0,2,0,0,0,0|0,1,0]=3 12038 B11R0.4 CCCC(C)NCCCCC#N 2230a_100000741246_100000211819 [0,2,0,0,0,0|1,0,1]=4 12039 B11R0.4 CCCC(C)NCCCCC#N 270004a_100000751965_100000211909 [0,2,0,0,0,0|1,0,1]=4 12040 B11R0.4 CCCC(C)NCCCCC=O 2230a_100000741246_100000139335 [0,2,0,0,0,0|1,0,1]=4 12041 B11R0.4 CCCC(C)NCCCCCF 2230a_100000741246_100000729378 [0,2,0,0,0,0|1,0,0]=3 12042 B11R0.4 CCCC(C)NCCCCCO 2230a_100000741246_100000746330 [0,2,0,0,0,0|1,0,0]=3 12043 B11R0.4 CCCC(C)NCCCCCO 2230a_100000762737_100000766640 [0,2,0,0,0,0|1,0,0]=3 12044 B11R0.4 CCCC(C)NCCCCCO 270004a_100000762737_100000211909 [0,2,0,0,0,0|1,0,0]=3 12045 B11R0.4 CCCC(C)NCCCCCO 34a_100000762737_100000766640 [0,2,0,0,0,0|1,0,0]=3 12046 B11R0.4 CCCC(C)NCCCCOC 2230a_100000741246_100000730899 [0,2,0,0,0,0|1,0,0]=3 12047 B11R0.4 CCCC(C)NCCCOCC 2230a_100000210961_100000766640 [0,2,0,0,0,0|1,0,0]=3 12048 B11R0.4 CCCC(C)NCCCOCC 2230a_100000741246_100012232248 [0,2,0,0,0,0|1,0,0]=3 12049 B11R0.4 CCCC(C)NCCCOCC 270004a_100000210961_100000211909 [0,2,0,0,0,0|1,0,0]=3 12050 B11R0.4 CCCC(C)NCCCOCC 34a_100000210961_100000766640 [0,2,0,0,0,0|1,0,0]=3 12051 B11R0.4 CCCC(C)NCCOCCO 2230a_100000211614_100000766640 [0,2,0,0,0,0|2,0,0]=4 12052 B11R0.4 CCCC(C)NCCOCCO 2230a_100000741246_100011215305 [0,2,0,0,0,0|2,0,0]=4 12053 B11R0.4 CCCC(C)NCCOCCO 270004a_100000211614_100000211909 [0,2,0,0,0,0|2,0,0]=4 12054 B11R0.4 CCCC(C)NCCOCCO 34a_100000211614_100000766640 [0,2,0,0,0,0|2,0,0]=4 12055 B11R0.4 CCCC(C)NCCSCCO 2230a_100011219999_100000766640 [0,2,0,0,0,0|2,0,0]=4 12056 B11R0.4 CCCC(C)NCCSCCO 270004a_100011219999_100000211909 [0,2,0,0,0,0|2,0,0]=4 12057 B11R0.4 CCCC(C)NCOCCOC 2230a_100000741246_100000231047 [0,2,0,0,0,0|1,0,0]=3 12058 B11R0.4 CCCC(C)OCCCCC#N 7a_100000764384_100000211819 [0,2,0,0,0,0|0,0,1]=3 12059 B11R0.4 CCCC(C)OCCCCC=O 7a_100000764384_100000139335 [0,2,0,0,0,0|0,0,1]=3 12060 B11R0.4 CCCC(C)OCCCCCBr 34a_100000746331_100000766640 [0,2,0,0,0,0|0,0,0]=2 12061 B11R0.4 CCCC(C)OCCCCCBr 7a_100000746331_100000766640 [0,2,0,0,0,0|0,0,0]=2 12062 B11R0.4 CCCC(C)OCCCCCCl 34a_100000746330_100000766640 [0,2,0,0,0,0|0,0,0]=2 12063 B11R0.4 CCCC(C)OCCCCCCl 7a_100000746330_100000766640 [0,2,0,0,0,0|0,0,0]=2 12064 B11R0.4 CCCC(C)OCCCCCF 34a_100000764384_100000729378 [0,2,0,0,0,0|0,0,0]=2 12065 B11R0.4 CCCC(C)OCCCCCF 7a_100000764384_100000729378 [0,2,0,0,0,0|0,0,0]=2 12066 B11R0.4 CCCC(C)OCCCCCI 34a_200012148887_100000766640 [0,2,0,0,0,0|0,0,0]=2 12067 B11R0.4 CCCC(C)OCCCCCI 7a_200012148887_100000766640 [0,2,0,0,0,0|0,0,0]=2 12068 B11R0.4 CCCC(C)OCCCCCN 34a_100000762737_100000766640 [0,2,0,0,0,0|0,0,0]=2 12069 B11R0.4 CCCC(C)OCCCCCO 34a_100000764384_100000746330 [0,2,0,0,0,0|0,0,0]=2 12070 B11R0.4 CCCC(C)OCCCCCO 7a_100000764384_100000746330 [0,2,0,0,0,0|0,0,0]=2 12071 B11R0.4 CCCC(C)OCCCCOC 34a_100000740925_100000766640 [0,2,0,0,0,0|0,0,0]=2 12072 B11R0.4 CCCC(C)OCCCCOC 34a_100000764384_100000755781 [0,2,0,0,0,0|0,0,0]=2 12073 B11R0.4 CCCC(C)OCCCCOC 7a_100000764384_100000730899 [0,2,0,0,0,0|0,0,0]=2 12074 B11R0.4 CCCC(C)OCCCCSC 34a_100011217163_100000766640 [0,2,0,0,0,0|0,0,0]=2 12075 B11R0.4 CCCC(C)OCCCCSC 7a_100011217163_100000766640 [0,2,0,0,0,0|0,0,0]=2 12076 B11R0.4 CCCC(C)OCCCOCC 34a_100000757476_100000766640 [0,2,0,0,0,0|0,0,0]=2 12077 B11R0.4 CCCC(C)OCCCOCC 34a_100000764384_100012232248 [0,2,0,0,0,0|0,0,0]=2 12078 B11R0.4 CCCC(C)OCCCOCC 7a_100000757476_100000766640 [0,2,0,0,0,0|0,0,0]=2 12079 B11R0.4 CCCC(C)OCCCOCC 7a_100000764384_100012232248 [0,2,0,0,0,0|0,0,0]=2 12080 B11R0.4 CCCC(C)OCCCSCC 34a_100011216438_100000766640 [0,2,0,0,0,0|0,0,0]=2 12081 B11R0.4 CCCC(C)OCCCSCC 7a_100011216438_100000766640 [0,2,0,0,0,0|0,0,0]=2 12082 B11R0.4 CCCC(C)OCCOCC#N 7a_100000764384_200000047693 [0,2,0,0,0,0|1,0,1]=4 12083 B11R0.4 CCCC(C)OCCOCCBr 34a_100000692535_100000766640 [0,2,0,0,0,0|1,0,0]=3 12084 B11R0.4 CCCC(C)OCCOCCBr 7a_100000692535_100000766640 [0,2,0,0,0,0|1,0,0]=3 12085 B11R0.4 CCCC(C)OCCOCCCl 34a_100011215305_100000766640 [0,2,0,0,0,0|1,0,0]=3 12086 B11R0.4 CCCC(C)OCCOCCCl 7a_100011215305_100000766640 [0,2,0,0,0,0|1,0,0]=3 12087 B11R0.4 CCCC(C)OCCOCCF 34a_200015357709_100000766640 [0,2,0,0,0,0|1,0,0]=3 12088 B11R0.4 CCCC(C)OCCOCCF 7a_200015357709_100000766640 [0,2,0,0,0,0|1,0,0]=3 12089 B11R0.4 CCCC(C)OCCOCCI 34a_100012149058_100000766640 [0,2,0,0,0,0|1,0,0]=3 12090 B11R0.4 CCCC(C)OCCOCCI 7a_100012149058_100000766640 [0,2,0,0,0,0|1,0,0]=3 12091 B11R0.4 CCCC(C)OCCOCCN 34a_100000211614_100000766640 [0,2,0,0,0,0|1,0,0]=3 12092 B11R0.4 CCCC(C)OCCOCCO 34a_100000764384_100000692535 [0,2,0,0,0,0|1,0,0]=3 12093 B11R0.4 CCCC(C)OCCOCCO 7a_100000764384_100011215305 [0,2,0,0,0,0|1,0,0]=3 12094 B11R0.4 CCCC(C)SCCCCC#N 62a_100000766640_100000211819 [0,2,0,0,0,0|0,1,1]=4 12095 B11R0.4 CCCC(C)SCCCCC#N 62a_100011219923_100000766640 [0,2,0,0,0,0|0,1,1]=4 12096 B11R0.4 CCCC(C)SCCCCC=O 62a_100000139335_100000766640 [0,2,0,0,0,0|0,1,1]=4 12097 B11R0.4 CCCC(C)SCCCCC=O 62a_100000766640_100000139335 [0,2,0,0,0,0|0,1,1]=4 12098 B11R0.4 CCCC(C)SCCCCCF 62a_100000729378_100000766640 [0,2,0,0,0,0|0,1,0]=3 12099 B11R0.4 CCCC(C)SCCCCCF 62a_100000766640_100000729378 [0,2,0,0,0,0|0,1,0]=3 12100 B11R0.4 CCCC(C)SCCCCCO 62a_100000746330_100000766640 [0,2,0,0,0,0|0,1,0]=3 12101 B11R0.4 CCCC(C)SCCCCCO 62a_100000766640_100000746330 [0,2,0,0,0,0|0,1,0]=3 12102 B11R0.4 CCCC(C)SCCCCOC 62a_100000730899_100000766640 [0,2,0,0,0,0|0,1,0]=3 12103 B11R0.4 CCCC(C)SCCCCOC 62a_100000766640_100000730899 [0,2,0,0,0,0|0,1,0]=3 12104 B11R0.4 CCCC(C)SCCCOCC 62a_100000766640_100012232248 [0,2,0,0,0,0|0,1,0]=3 12105 B11R0.4 CCCC(C)SCCCOCC 62a_100012232248_100000766640 [0,2,0,0,0,0|0,1,0]=3 12106 B11R0.4 CCCC(C)SCCOCCO 62a_100000766640_100011215305 [0,2,0,0,0,0|1,1,0]=4 12107 B11R0.4 CCCC(C)SCCOCCO 62a_100011215305_100000766640 [0,2,0,0,0,0|1,1,0]=4 12108 B11R0.4 CCCC(C)SCOCCOC 62a_100000231047_100000766640 [0,2,0,0,0,0|1,0,0]=3 12109 B11R0.4 CCCC(C)SCOCCOC 62a_100000766640_100000231047 [0,2,0,0,0,0|1,0,0]=3 12110 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [0,2,0,0,0,0|1,0,1]=4 12111 B11R0.4 CCCCCC#CC(=O)CCC 1458a_100011215388_100000210303 [0,2,0,0,0,0|1,0,1]=4 12112 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [0,2,0,0,0,0|1,0,1]=4 12113 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,2,0,0,0,0|1,0,0]=3 12114 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,2,0,0,0,0|1,0,0]=3 12115 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,2,0,0,0,0|1,0,1]=4 12116 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,2,0,0,0,0|1,0,1]=4 12117 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,2,0,0,0,0|1,0,1]=4 12118 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,2,0,0,0,0|1,0,1]=4 12119 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,2,0,0,0,0|1,0,1]=4 12120 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,2,0,0,0,0|1,0,1]=4 12121 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,2,0,0,0,0|1,0,1]=4 12122 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,2,0,0,0,0|1,0,1]=4 12123 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [0,2,0,0,0,0|1,0,0]=3 12124 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [0,2,0,0,0,0|1,0,0]=3 12125 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [0,2,0,0,0,0|1,0,0]=3 12126 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [0,2,0,0,0,0|1,0,0]=3 12127 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [0,2,0,0,0,0|1,0,0]=3 12128 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [0,2,0,0,0,0|2,0,0]=4 12129 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [0,2,0,0,0,0|2,0,0]=4 12130 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [0,2,0,0,0,0|1,0,0]=3 12131 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [0,2,0,0,0,0|1,0,0]=3 12132 B11R0.4 CCCCCCCC(C)SCF 62a_100015361967_200011218727 [0,2,0,0,0,0|2,0,0]=4 12133 B11R0.4 CCCCCCCC(C)SCF 62a_200011218727_100015361967 [0,2,0,0,0,0|2,0,0]=4 12134 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [0,2,0,0,0,0|1,0,0]=3 12135 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [0,2,0,0,0,0|1,0,0]=3 12136 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [0,2,0,0,0,0|1,0,0]=3 12137 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [0,2,0,0,0,0|1,0,0]=3 12138 B11R0.4 CCCCCCCN(C)CCF 2230a_100000228206_100011217306 [0,2,0,0,0,0|2,0,0]=4 12139 B11R0.4 CCCCCCCN(C)CCF 269982a_100000228206_100011217306 [0,2,0,0,0,0|2,0,0]=4 12140 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [0,2,0,0,0,0|2,0,0]=4 12141 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [0,2,0,0,0,0|2,0,0]=4 12142 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [0,2,0,0,0,0|2,0,0]=4 12143 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [0,2,0,0,0,0|2,0,0]=4 12144 B11R0.4 CCCCCCCN(C)COC 2230a_100000228206_100000766300 [0,2,0,0,0,0|2,0,0]=4 12145 B11R0.4 CCCCCCCN(C)COC 269982a_100000228206_100000766300 [0,2,0,0,0,0|2,0,0]=4 12146 B11R0.4 CCCCCCCN(C)CSC 2230a_100000228206_100011218213 [0,2,0,0,0,0|2,0,0]=4 12147 B11R0.4 CCCCCCCN(C)CSC 269982a_100000228206_100011218213 [0,2,0,0,0,0|2,0,0]=4 12148 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,2,0,0,0,0|1,0,1]=4 12149 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,2,0,0,0,0|1,0,1]=4 12150 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,2,0,0,0,0|1,0,1]=4 12151 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,2,0,0,0,0|1,0,1]=4 12152 B11R0.4 CCCCCCNC(C)CCC 2230a_100000210581_100000766640 [0,2,0,0,0,0|1,0,0]=3 12153 B11R0.4 CCCCCCNC(C)CCC 2230a_100000741246_100000210314 [0,2,0,0,0,0|1,0,0]=3 12154 B11R0.4 CCCCCCNC(C)CCC 270004a_100000210581_100000211909 [0,2,0,0,0,0|1,0,0]=3 12155 B11R0.4 CCCCCCNC(C)CCO 2230a_100000210581_100009893172 [0,2,0,0,0,0|2,0,0]=4 12156 B11R0.4 CCCCCCNC(C)COC 2230a_100000210581_100000765312 [0,2,0,0,0,0|2,0,0]=4 12157 B11R0.4 CCCCCCNC(C)COC 270004a_100000210581_100000749346 [0,2,0,0,0,0|2,0,0]=4 12158 B11R0.4 CCCCCCNC(C)CSC 270004a_100000210581_100011216314 [0,2,0,0,0,0|2,0,0]=4 12159 B11R0.4 CCCCCCN[C@H](C)CCO 2230a_100000706166_100000210314 [0,2,0,0,0,0|2,0,0]=4 12160 B11R0.4 CCCCCCN[C@H](C)CCO 34a_100000706166_100000210314 [0,2,0,0,0,0|2,0,0]=4 12161 B11R0.4 CCCCCCN[C@H](C)COC 2230a_100000764878_100000210314 [0,2,0,0,0,0|2,0,0]=4 12162 B11R0.4 CCCCCCOC(C)CC#N 7a_100000210259_100009813641 [0,2,0,0,0,0|1,0,1]=4 12163 B11R0.4 CCCCCCOC(C)CCBr 34a_100012276601_100000210314 [0,2,0,0,0,0|1,0,0]=3 12164 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [0,2,0,0,0,0|0,0,0]=2 12165 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [0,2,0,0,0,0|0,0,0]=2 12166 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [0,2,0,0,0,0|0,0,0]=2 12167 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [0,2,0,0,0,0|0,0,0]=2 12168 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [0,2,0,0,0,0|1,0,0]=3 12169 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [0,2,0,0,0,0|1,0,0]=3 12170 B11R0.4 CCCCCCOC(C)COC 34a_100000210259_100000765312 [0,2,0,0,0,0|1,0,0]=3 12171 B11R0.4 CCCCCCOC(C)COC 7a_100000210259_100000765312 [0,2,0,0,0,0|1,0,0]=3 12172 B11R0.4 CCCCCCO[C@H](C)COC 34a_100011934205_100000210314 [0,2,0,0,0,0|1,0,0]=3 12173 B11R0.4 CCCCCCSC(C)CCC 62a_100000210314_100000766640 [0,2,0,0,0,0|0,1,0]=3 12174 B11R0.4 CCCCCCSC(C)CCC 62a_100000766640_100000210757 [0,2,0,0,0,0|0,1,0]=3 12175 B11R0.4 CCCCCCSC(C)CCO 62a_100000210314_100009893172 [0,2,0,0,0,0|1,1,0]=4 12176 B11R0.4 CCCCCCSC(C)CCO 62a_100009893172_100000210757 [0,2,0,0,0,0|1,1,0]=4 12177 B11R0.4 CCCCCCSC(C)COC 62a_100000210314_100000765312 [0,2,0,0,0,0|1,1,0]=4 12178 B11R0.4 CCCCCCSC(C)COC 62a_100000765312_100000210757 [0,2,0,0,0,0|1,1,0]=4 12179 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,2,0,0,0,0|1,0,0]=3 12180 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [0,2,0,0,0,0|1,0,1]=4 12181 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [0,2,0,0,0,0|1,0,1]=4 12182 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [0,2,0,0,0,0|1,0,1]=4 12183 B11R0.4 CCCCCNCC(C)CCC 2230a_100000209983_100011216630 [0,2,0,0,0,0|1,0,0]=3 12184 B11R0.4 CCCCCNCC(C)CCC 270004a_100000209983_100000243154 [0,2,0,0,0,0|1,0,0]=3 12185 B11R0.4 CCCCCNCC(O)COC 2230a_100000756049_100000210326 [0,2,0,0,0,0|1,0,0]=3 12186 B11R0.4 CCCCCNCC(O)COC 34a_100000756049_100000718602 [0,2,0,0,0,0|1,0,0]=3 12187 B11R0.4 CCCCCNC[C@@H](O)CC#N 2230a_100000209983_100000001066 [0,2,0,0,0,0|1,0,1]=4 12188 B11R0.4 CCCCCNN=C(C)CCC 4a_100000694160_100000211909 [0,2,0,0,0,0|1,0,1]=4 12189 B11R0.4 CCCCCNNC(=O)CCC 22a_100000694160_100000211992 [0,2,0,0,0,0|1,0,1]=4 12190 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,2,0,0,0,0|0,0,0]=2 12191 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [0,2,0,0,0,0|0,0,1]=3 12192 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [0,2,0,0,0,0|0,0,1]=3 12193 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [0,2,0,0,0,0|1,0,1]=4 12194 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [0,2,0,0,0,0|1,0,1]=4 12195 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [0,2,0,0,0,0|0,0,1]=3 12196 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [0,2,0,0,0,0|0,0,1]=3 12197 B11R0.4 CCCCCOCC(C)CCC 34a_100000210253_100011216630 [0,2,0,0,0,0|0,0,0]=2 12198 B11R0.4 CCCCCOCC(C)CCC 34a_100000688023_100000718602 [0,2,0,0,0,0|0,0,0]=2 12199 B11R0.4 CCCCCOCC(C)CCC 7a_100000210253_100011216630 [0,2,0,0,0,0|0,0,0]=2 12200 B11R0.4 CCCCCOCC(C)CCC 7a_100000688023_100000210326 [0,2,0,0,0,0|0,0,0]=2 12201 B11R0.4 CCCCCOCC(C)CCN 34a_106354213184_100000718602 [0,2,0,0,0,0|0,0,0]=2 12202 B11R0.4 CCCCCOCC(N)COC 34a_100000724102_100000718602 [0,2,0,0,0,0|0,0,0]=2 12203 B11R0.4 CCCCCOCC(O)COC 34a_100000210253_100011215053 [0,2,0,0,0,0|0,0,0]=2 12204 B11R0.4 CCCCCOCC(O)COC 7a_100000210253_100011215053 [0,2,0,0,0,0|0,0,0]=2 12205 B11R0.4 CCCCCOC[C@@H](N)CCC 34a_100000732646_100000718602 [0,2,0,0,0,0|0,0,0]=2 12206 B11R0.4 CCCCCOC[C@@H](O)CC#N 7a_100000210253_100000001066 [0,2,0,0,0,0|0,0,1]=3 12207 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,2,0,0,0,0|0,1,0]=3 12208 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,2,0,0,0,0|0,1,0]=3 12209 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [0,2,0,0,0,0|0,1,1]=4 12210 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [0,2,0,0,0,0|0,1,1]=4 12211 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [0,2,0,0,0,0|0,1,1]=4 12212 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [0,2,0,0,0,0|0,1,1]=4 12213 B11R0.4 CCCCCSCC(C)CCC 62a_100000210326_100011216630 [0,2,0,0,0,0|0,1,0]=3 12214 B11R0.4 CCCCCSCC(C)CCC 62a_100011216630_100000210326 [0,2,0,0,0,0|0,1,0]=3 12215 B11R0.4 CCCCCSCC(O)COC 62a_100000210326_100011215053 [0,2,0,0,0,0|0,1,0]=3 12216 B11R0.4 CCCCCSCC(O)COC 62a_100011215053_100000210326 [0,2,0,0,0,0|0,1,0]=3 12217 B11R0.4 CCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210326 [0,2,0,0,0,0|0,1,1]=4 12218 B11R0.4 CCCCCSC[C@@H](O)CC#N 62a_100000210326_100000001066 [0,2,0,0,0,0|0,1,1]=4 12219 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [0,2,0,0,0,0|1,0,1]=4 12220 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [0,2,0,0,0,0|1,0,1]=4 12221 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [0,2,0,0,0,0|1,0,1]=4 12222 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [0,2,0,0,0,0|1,0,1]=4 12223 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [0,2,0,0,0,0|1,0,1]=4 12224 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [0,2,0,0,0,0|0,0,1]=3 12225 B11R0.4 CCCCNN=CC(C)CCC 4a_100025702795_100000243154 [0,2,0,0,0,0|1,0,1]=4 12226 B11R0.4 CCCCOCCC(=O)CC#N 1458a_100051588842_100000743108 [0,2,0,0,0,0|0,0,2]=4 12227 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [0,2,0,0,0,0|0,0,0]=2 12228 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [0,2,0,0,0,0|0,0,1]=3 12229 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [0,2,0,0,0,0|0,0,1]=3 12230 B11R0.4 CCCCOCCC(=O)CSC 1458a_100000184570_100000743108 [0,2,0,0,0,0|0,0,1]=3 12231 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [0,2,0,0,0,0|0,0,1]=3 12232 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [0,2,0,0,0,0|0,0,1]=3 12233 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [0,2,0,0,0,0|0,0,1]=3 12234 B11R0.4 CCCCOCCC(C)CCC 34a_100011217855_100000210210 [0,2,0,0,0,0|0,0,0]=2 12235 B11R0.4 CCCCOCCC(C)CCC 7a_100011217855_100000210211 [0,2,0,0,0,0|0,0,0]=2 12236 B11R0.4 CCCCOCCN(C)CC#N 2230a_100000748184_100000743108 [0,2,0,0,0,0|1,0,1]=4 12237 B11R0.4 CCCCOCCN(C)CCC 2230a_100000747261_100000743108 [0,2,0,0,0,0|0,0,0]=2 12238 B11R0.4 CCCCOCCN(C)CCC 269982a_100000747261_100000743108 [0,2,0,0,0,0|0,0,0]=2 12239 B11R0.4 CCCCOCCN(C)CCO 2230a_100000210263_100000743108 [0,2,0,0,0,0|1,0,0]=3 12240 B11R0.4 CCCCOCCN(C)CCO 269982a_100000210263_100000743108 [0,2,0,0,0,0|1,0,0]=3 12241 B11R0.4 CCCCOCC[C@@H](N)CCC 34a_100015193777_100000210210 [0,2,0,0,0,0|0,0,0]=2 12242 B11R0.4 CCCCOCNC(C)CCC 2230a_100000741246_100011995733 [0,2,0,0,0,0|0,0,0]=2 12243 B11R0.4 CCCCOCN[C@@H](C)CC#N 2230a_100016994482_100011995733 [0,2,0,0,0,0|1,0,1]=4 12244 B11R0.4 CCCCOCN[C@H](C)CCO 2230a_100000706166_100011995733 [0,2,0,0,0,0|1,0,0]=3 12245 B11R0.4 CCCCOCN[C@H](C)CCO 34a_100000706166_100011995733 [0,2,0,0,0,0|1,0,0]=3 12246 B11R0.4 CCCCOCN[C@H](C)COC 2230a_100000764878_100011995733 [0,2,0,0,0,0|1,0,0]=3 12247 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [0,2,0,0,0,0|0,0,1]=3 12248 B11R0.4 CCCCOCOC(C)CCBr 34a_100012276601_100011995733 [0,2,0,0,0,0|1,0,0]=3 12249 B11R0.4 CCCCOCOC(C)CCC 34a_100000764384_100011995733 [0,2,0,0,0,0|0,0,0]=2 12250 B11R0.4 CCCCOCO[C@H](C)COC 34a_100011934205_100011995733 [0,2,0,0,0,0|1,0,0]=3 12251 B11R0.4 CCCCOCSC(C)CC#N 62a_100009813641_100011995733 [0,2,0,0,0,0|1,0,1]=4 12252 B11R0.4 CCCCOCSC(C)CC#N 62a_100011995733_100009813641 [0,2,0,0,0,0|1,0,1]=4 12253 B11R0.4 CCCCOCSC(C)CCC 62a_100000766640_100011995733 [0,2,0,0,0,0|0,0,0]=2 12254 B11R0.4 CCCCOCSC(C)CCC 62a_100011995733_100000766640 [0,2,0,0,0,0|0,0,0]=2 12255 B11R0.4 CCCCOCSC(C)CCO 62a_100009893172_100011995733 [0,2,0,0,0,0|1,0,0]=3 12256 B11R0.4 CCCCOCSC(C)CCO 62a_100011995733_100009893172 [0,2,0,0,0,0|1,0,0]=3 12257 B11R0.4 CCCCOCSC(C)COC 62a_100000765312_100011995733 [0,2,0,0,0,0|1,0,0]=3 12258 B11R0.4 CCCCOCSC(C)COC 62a_100011995733_100000765312 [0,2,0,0,0,0|1,0,0]=3 12259 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [0,2,0,0,0,0|0,1,1]=4 12260 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [0,2,0,0,0,0|0,1,1]=4 12261 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [0,2,0,0,0,0|0,1,1]=4 12262 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [0,2,0,0,0,0|0,1,1]=4 12263 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [0,2,0,0,0,0|0,0,1]=3 12264 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [0,2,0,0,0,0|1,0,1]=4 12265 B11R0.4 CCCN(C)CCCCCCF 2230a_100000747261_100015922095 [0,2,0,0,0,0|2,0,0]=4 12266 B11R0.4 CCCN(C)CCCCCCF 269982a_100000747261_100015922095 [0,2,0,0,0,0|2,0,0]=4 12267 B11R0.4 CCCN(C)CCCCCCO 2230a_100000747261_100000766143 [0,2,0,0,0,0|2,0,0]=4 12268 B11R0.4 CCCN(C)CCCCCCO 269982a_100000747261_100000766143 [0,2,0,0,0,0|2,0,0]=4 12269 B11R0.4 CCCN(C)CCOCCOC 2230a_100000747261_100000695917 [0,2,0,0,0,0|1,0,0]=3 12270 B11R0.4 CCCN(C)CCOCCOC 269982a_100000747261_100000695917 [0,2,0,0,0,0|1,0,0]=3 12271 B11R0.4 CCCOCCCC(C)CCC 34a_100011713154_100000210303 [0,2,0,0,0,0|1,0,0]=3 12272 B11R0.4 CCCOCCCC(C)CCC 7a_100011713154_100000210303 [0,2,0,0,0,0|1,0,0]=3 12273 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [0,2,0,0,0,0|1,0,1]=4 12274 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [0,2,0,0,0,0|1,0,1]=4 12275 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [0,2,0,0,0,0|1,0,1]=4 12276 B11R0.4 CCCOCCNC(C)CCC 2230a_100000741246_100011215938 [0,2,0,0,0,0|1,0,0]=3 12277 B11R0.4 CCCOCCNC(C)CCC 2230a_100161115042_100000766640 [0,2,0,0,0,0|1,0,0]=3 12278 B11R0.4 CCCOCCNC(C)CCC 270004a_100161115042_100000211909 [0,2,0,0,0,0|1,0,0]=3 12279 B11R0.4 CCCOCCNC(C)CCC 34a_100161115042_100000766640 [0,2,0,0,0,0|1,0,0]=3 12280 B11R0.4 CCCOCCNC(C)CCO 2230a_100161115042_100009893172 [0,2,0,0,0,0|2,0,0]=4 12281 B11R0.4 CCCOCCNC(C)CCO 34a_100161115042_100009893172 [0,2,0,0,0,0|2,0,0]=4 12282 B11R0.4 CCCOCCNC(C)COC 2230a_100161115042_100000765312 [0,2,0,0,0,0|2,0,0]=4 12283 B11R0.4 CCCOCCNC(C)COC 270004a_100161115042_100000749346 [0,2,0,0,0,0|2,0,0]=4 12284 B11R0.4 CCCOCCNC(C)COC 34a_100161115042_100000765312 [0,2,0,0,0,0|2,0,0]=4 12285 B11R0.4 CCCOCCNC(C)CSC 270004a_100161115042_100011216314 [0,2,0,0,0,0|2,0,0]=4 12286 B11R0.4 CCCOCCN[C@H](C)CCO 2230a_100000706166_100011215938 [0,2,0,0,0,0|2,0,0]=4 12287 B11R0.4 CCCOCCN[C@H](C)CCO 34a_100000706166_100011215938 [0,2,0,0,0,0|2,0,0]=4 12288 B11R0.4 CCCOCCN[C@H](C)COC 2230a_100000764878_100011215938 [0,2,0,0,0,0|2,0,0]=4 12289 B11R0.4 CCCOCCOC(C)CC#N 7a_100000752267_100009813641 [0,2,0,0,0,0|1,0,1]=4 12290 B11R0.4 CCCOCCOC(C)CCBr 34a_100012276601_100011215938 [0,2,0,0,0,0|1,0,0]=3 12291 B11R0.4 CCCOCCOC(C)CCC 34a_100000752267_100000766640 [0,2,0,0,0,0|0,0,0]=2 12292 B11R0.4 CCCOCCOC(C)CCC 34a_100000764384_100011215938 [0,2,0,0,0,0|0,0,0]=2 12293 B11R0.4 CCCOCCOC(C)CCC 7a_100000752267_100000766640 [0,2,0,0,0,0|0,0,0]=2 12294 B11R0.4 CCCOCCOC(C)CCC 7a_100000764384_100011215938 [0,2,0,0,0,0|0,0,0]=2 12295 B11R0.4 CCCOCCOC(C)CCO 34a_100000752267_100009893172 [0,2,0,0,0,0|1,0,0]=3 12296 B11R0.4 CCCOCCOC(C)CCO 7a_100000752267_100009893172 [0,2,0,0,0,0|1,0,0]=3 12297 B11R0.4 CCCOCCOC(C)COC 34a_100000752267_100000765312 [0,2,0,0,0,0|1,0,0]=3 12298 B11R0.4 CCCOCCOC(C)COC 7a_100000752267_100000765312 [0,2,0,0,0,0|1,0,0]=3 12299 B11R0.4 CCCOCCO[C@H](C)COC 34a_100011934205_100011215938 [0,2,0,0,0,0|1,0,0]=3 12300 B11R0.4 CCCOCCSC(C)CCC 62a_100000766640_100011215938 [0,2,0,0,0,0|0,1,0]=3 12301 B11R0.4 CCCOCCSC(C)CCC 62a_100011215938_100000766640 [0,2,0,0,0,0|0,1,0]=3 12302 B11R0.4 CCCOCCSC(C)CCO 62a_100009893172_100011215938 [0,2,0,0,0,0|1,1,0]=4 12303 B11R0.4 CCCOCCSC(C)CCO 62a_100011215938_100009893172 [0,2,0,0,0,0|1,1,0]=4 12304 B11R0.4 CCCOCCSC(C)COC 62a_100000765312_100011215938 [0,2,0,0,0,0|1,1,0]=4 12305 B11R0.4 CCCOCCSC(C)COC 62a_100011215938_100000765312 [0,2,0,0,0,0|1,1,0]=4 12306 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [0,2,0,0,0,0|1,0,1]=4 12307 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [0,2,0,0,0,0|1,0,1]=4 12308 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [0,2,0,0,0,0|1,0,1]=4 12309 B11R0.4 CCCSCCNC(C)CCC 2230a_100020603323_100000766640 [0,2,0,0,0,0|1,0,0]=3 12310 B11R0.4 CCCSCCNC(C)CCC 270004a_100020603323_100000211909 [0,2,0,0,0,0|1,0,0]=3 12311 B11R0.4 CCCSCCNC(C)CCO 2230a_100020603323_100009893172 [0,2,0,0,0,0|2,0,0]=4 12312 B11R0.4 CCCSCCNC(C)COC 2230a_100020603323_100000765312 [0,2,0,0,0,0|2,0,0]=4 12313 B11R0.4 CCCSCCNC(C)COC 270004a_100020603323_100000749346 [0,2,0,0,0,0|2,0,0]=4 12314 B11R0.4 CCCSCCNC(C)CSC 270004a_100020603323_100011216314 [0,2,0,0,0,0|2,0,0]=4 12315 B11R0.4 CCCSCCOC(C)CC#N 7a_200000230433_100009813641 [0,2,0,0,0,0|1,0,1]=4 12316 B11R0.4 CCCSCCOC(C)CCC 34a_200000230433_100000766640 [0,2,0,0,0,0|0,0,0]=2 12317 B11R0.4 CCCSCCOC(C)CCC 7a_200000230433_100000766640 [0,2,0,0,0,0|0,0,0]=2 12318 B11R0.4 CCCSCCOC(C)CCO 34a_200000230433_100009893172 [0,2,0,0,0,0|1,0,0]=3 12319 B11R0.4 CCCSCCOC(C)CCO 7a_200000230433_100009893172 [0,2,0,0,0,0|1,0,0]=3 12320 B11R0.4 CCCSCCOC(C)COC 34a_200000230433_100000765312 [0,2,0,0,0,0|1,0,0]=3 12321 B11R0.4 CCCSCCOC(C)COC 7a_200000230433_100000765312 [0,2,0,0,0,0|1,0,0]=3 12322 B11R0.4 CCC[C@H](N)CCOCCCF 34a_100015193777_100011934791 [0,2,0,0,0,0|1,0,0]=3 12323 B11R0.4 CCC[C@H](N)CCOCCCO 34a_100015193777_100000230001 [0,2,0,0,0,0|1,0,0]=3 12324 B11R0.4 CCC[C@H](N)CCOCCOC 34a_100015193777_100011201679 [0,2,0,0,0,0|1,0,0]=3 12325 B11R0.4 CCC[C@H](N)CCOCCSC 34a_100015193777_100000212216 [0,2,0,0,0,0|1,0,0]=3 12326 B11R0.4 CCC[C@H](N)COCC#CCO 34a_100000732646_200000047223 [0,2,0,0,0,0|0,0,2]=4 12327 B11R0.4 CCC[C@H](N)COCCCCF 34a_100000732646_100000729493 [0,2,0,0,0,0|0,0,0]=2 12328 B11R0.4 CCC[C@H](N)COCCCCO 34a_100000732646_100011216708 [0,2,0,0,0,0|0,0,0]=2 12329 B11R0.4 CCC[C@H](N)COCCCOC 34a_100000732646_100000740836 [0,2,0,0,0,0|0,0,0]=2 12330 B11R0.4 CCC[C@H](N)COCCOCC 34a_100000732646_100000210147 [0,2,0,0,0,0|0,0,0]=2 12331 B11R0.4 CCC[C@H](N)COCCSCC 34a_100000732646_100000757381 [0,2,0,0,0,0|0,0,0]=2 12332 B11R0.4 CCNC(=O)CCOCCOC 11a_100015525214_100000745395 [0,2,0,0,0,0|1,0,1]=4 12333 B11R0.4 CCNC(=O)CCOCCOC 240690a_100015525214_100000745395 [0,2,0,0,0,0|1,0,1]=4 12334 B11R0.4 CCNC(=O)CCOCCOC 527a_100015525214_100000745395 [0,2,0,0,0,0|1,0,1]=4 12335 B11R0.4 CCNC(=O)CCOCCSC 7a_100000230434_100000737597 [0,2,0,0,0,0|1,0,1]=4 12336 B11R0.4 CCNC(=O)COCCCCBr 34a_100011216708_100000183381 [0,2,0,0,0,0|1,0,1]=4 12337 B11R0.4 CCNC(=O)COCCCCCl 34a_100000210776_100000183381 [0,2,0,0,0,0|1,0,1]=4 12338 B11R0.4 CCNC(=O)COCCCCCl 7a_100000210776_100000183381 [0,2,0,0,0,0|1,0,1]=4 12339 B11R0.4 CCNC(=O)COCCCCF 34a_100011995726_100000183381 [0,2,0,0,0,0|1,0,1]=4 12340 B11R0.4 CCNC(=O)COCCCCF 7a_100011995726_100000183381 [0,2,0,0,0,0|1,0,1]=4 12341 B11R0.4 CCNC(=O)COCCCCI 34a_200012148704_100000183381 [0,2,0,0,0,0|1,0,1]=4 12342 B11R0.4 CCNC(=O)COCCCCN 34a_100000750430_100000183381 [0,2,0,0,0,0|1,0,1]=4 12343 B11R0.4 CCNC(=O)COCCCNC 34a_100000213112_100000183381 [0,2,0,0,0,0|1,0,1]=4 12344 B11R0.4 CCNC(=O)COCCCOC 34a_100000740835_100000183381 [0,2,0,0,0,0|1,0,1]=4 12345 B11R0.4 CCNC(=O)COCCCSC 34a_100000690336_100000183381 [0,2,0,0,0,0|1,0,1]=4 12346 B11R0.4 CCNC(=O)COCCCSC 7a_100000690336_100000183381 [0,2,0,0,0,0|1,0,1]=4 12347 B11R0.4 CCNC(=O)COCCOCC 34a_100000210136_100000183381 [0,2,0,0,0,0|1,0,1]=4 12348 B11R0.4 CCNC(=O)COCCOCC 7a_100000210136_100000183381 [0,2,0,0,0,0|1,0,1]=4 12349 B11R0.4 CCNC(=O)COCCSCC 34a_100000212035_100000183381 [0,2,0,0,0,0|1,0,1]=4 12350 B11R0.4 CCNC(=O)COCCSCC 7a_100000212035_100000183381 [0,2,0,0,0,0|1,0,1]=4 12351 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [0,2,0,0,0,0|1,0,1]=4 12352 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [0,2,0,0,0,0|1,0,1]=4 12353 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [0,2,0,0,0,0|1,0,1]=4 12354 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [0,2,0,0,0,0|1,0,1]=4 12355 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [0,2,0,0,0,0|1,0,1]=4 12356 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [0,2,0,0,0,0|1,0,1]=4 12357 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [0,2,0,0,0,0|1,0,1]=4 12358 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [0,2,0,0,0,0|1,0,1]=4 12359 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [0,2,0,0,0,0|1,0,1]=4 12360 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [0,2,0,0,0,0|1,0,1]=4 12361 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [0,2,0,0,0,0|1,0,1]=4 12362 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [0,2,0,0,0,0|1,0,1]=4 12363 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [0,2,0,0,0,0|1,0,1]=4 12364 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [0,2,0,0,0,0|1,0,1]=4 12365 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [0,2,0,0,0,0|1,0,1]=4 12366 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [0,2,0,0,0,0|1,0,1]=4 12367 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [0,2,0,0,0,0|1,0,1]=4 12368 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [0,2,0,0,0,0|1,0,1]=4 12369 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [0,2,0,0,0,0|1,0,1]=4 12370 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [0,2,0,0,0,0|1,0,1]=4 12371 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [0,2,0,0,0,0|1,0,1]=4 12372 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [0,2,0,0,0,0|1,0,1]=4 12373 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [0,2,0,0,0,0|1,0,1]=4 12374 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [0,2,0,0,0,0|1,0,1]=4 12375 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [0,2,0,0,0,0|1,0,1]=4 12376 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [0,2,0,0,0,0|1,0,1]=4 12377 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [0,2,0,0,0,0|1,0,1]=4 12378 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [0,2,0,0,0,0|1,0,1]=4 12379 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [0,2,0,0,0,0|1,0,1]=4 12380 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [0,2,0,0,0,0|1,0,1]=4 12381 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [0,2,0,0,0,0|1,0,1]=4 12382 B11R0.4 CCOCCCNC(C)CCO 2230a_100000210961_100009893172 [0,2,0,0,0,0|2,0,0]=4 12383 B11R0.4 CCOCCCNC(C)CCO 34a_100000210961_100009893172 [0,2,0,0,0,0|2,0,0]=4 12384 B11R0.4 CCOCCCNC(C)COC 2230a_100000210961_100000765312 [0,2,0,0,0,0|2,0,0]=4 12385 B11R0.4 CCOCCCNC(C)COC 270004a_100000210961_100000749346 [0,2,0,0,0,0|2,0,0]=4 12386 B11R0.4 CCOCCCNC(C)COC 34a_100000210961_100000765312 [0,2,0,0,0,0|2,0,0]=4 12387 B11R0.4 CCOCCCNC(C)CSC 270004a_100000210961_100011216314 [0,2,0,0,0,0|2,0,0]=4 12388 B11R0.4 CCOCCCN[C@H](C)CCO 2230a_100000706166_100012232248 [0,2,0,0,0,0|2,0,0]=4 12389 B11R0.4 CCOCCCN[C@H](C)CCO 34a_100000706166_100012232248 [0,2,0,0,0,0|2,0,0]=4 12390 B11R0.4 CCOCCCN[C@H](C)COC 2230a_100000764878_100012232248 [0,2,0,0,0,0|2,0,0]=4 12391 B11R0.4 CCOCCCOC(C)CC#N 7a_100000757476_100009813641 [0,2,0,0,0,0|1,0,1]=4 12392 B11R0.4 CCOCCCOC(C)CCBr 34a_100012276601_100012232248 [0,2,0,0,0,0|1,0,0]=3 12393 B11R0.4 CCOCCCOC(C)CCO 34a_100000757476_100009893172 [0,2,0,0,0,0|1,0,0]=3 12394 B11R0.4 CCOCCCOC(C)CCO 7a_100000757476_100009893172 [0,2,0,0,0,0|1,0,0]=3 12395 B11R0.4 CCOCCCOC(C)COC 34a_100000757476_100000765312 [0,2,0,0,0,0|1,0,0]=3 12396 B11R0.4 CCOCCCOC(C)COC 7a_100000757476_100000765312 [0,2,0,0,0,0|1,0,0]=3 12397 B11R0.4 CCOCCCO[C@H](C)COC 34a_100011934205_100012232248 [0,2,0,0,0,0|1,0,0]=3 12398 B11R0.4 CCOCCCSC(C)CCO 62a_100009893172_100012232248 [0,2,0,0,0,0|1,1,0]=4 12399 B11R0.4 CCOCCCSC(C)CCO 62a_100012232248_100009893172 [0,2,0,0,0,0|1,1,0]=4 12400 B11R0.4 CCOCCCSC(C)COC 62a_100000765312_100012232248 [0,2,0,0,0,0|1,1,0]=4 12401 B11R0.4 CCOCCCSC(C)COC 62a_100012232248_100000765312 [0,2,0,0,0,0|1,1,0]=4 12402 B11R0.4 CCOCCNCC(O)COC 2230a_100000756049_100011215890 [0,2,0,0,0,0|2,0,0]=4 12403 B11R0.4 CCOCCNCC(O)COC 34a_100000756049_100000210147 [0,2,0,0,0,0|2,0,0]=4 12404 B11R0.4 CCOCCNCC(O)COC 34a_102516460346_100011215053 [0,2,0,0,0,0|2,0,0]=4 12405 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [0,2,0,0,0,0|1,0,1]=4 12406 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [0,2,0,0,0,0|1,0,1]=4 12407 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [0,2,0,0,0,0|1,0,1]=4 12408 B11R0.4 CCOCCOCC(C)CCN 34a_106354213184_100000210147 [0,2,0,0,0,0|1,0,0]=3 12409 B11R0.4 CCOCCOCC(N)COC 34a_100000724102_100000210147 [0,2,0,0,0,0|1,0,0]=3 12410 B11R0.4 CCOCCOCC(O)COC 34a_100000210136_100011215053 [0,2,0,0,0,0|1,0,0]=3 12411 B11R0.4 CCOCCOCC(O)COC 7a_100000210136_100011215053 [0,2,0,0,0,0|1,0,0]=3 12412 B11R0.4 CCOCCOC[C@@H](O)CC#N 7a_100000210136_100000001066 [0,2,0,0,0,0|1,0,1]=4 12413 B11R0.4 CCOCCSCC(O)COC 62a_100000210147_100011215053 [0,2,0,0,0,0|1,1,0]=4 12414 B11R0.4 CCOCCSCC(O)COC 62a_100011215053_100011215890 [0,2,0,0,0,0|1,1,0]=4 12415 B11R0.4 CCSCCCOC(C)CC#N 7a_100011216438_100009813641 [0,2,0,0,0,0|1,0,1]=4 12416 B11R0.4 CCSCCCOC(C)CCO 34a_100011216438_100009893172 [0,2,0,0,0,0|1,0,0]=3 12417 B11R0.4 CCSCCCOC(C)CCO 7a_100011216438_100009893172 [0,2,0,0,0,0|1,0,0]=3 12418 B11R0.4 CCSCCCOC(C)COC 34a_100011216438_100000765312 [0,2,0,0,0,0|1,0,0]=3 12419 B11R0.4 CCSCCCOC(C)COC 7a_100011216438_100000765312 [0,2,0,0,0,0|1,0,0]=3 12420 B11R0.4 CCSCCNCC(O)COC 2230a_100000756049_100000757381 [0,2,0,0,0,0|2,0,0]=4 12421 B11R0.4 CCSCCNCC(O)COC 34a_100000756049_100000757381 [0,2,0,0,0,0|2,0,0]=4 12422 B11R0.4 CCSCCOCC(C)CCN 34a_106354213184_100000757381 [0,2,0,0,0,0|1,0,0]=3 12423 B11R0.4 CCSCCOCC(N)COC 34a_100000724102_100000757381 [0,2,0,0,0,0|1,0,0]=3 12424 B11R0.4 CCSCCOCC(O)COC 34a_100000212035_100011215053 [0,2,0,0,0,0|1,0,0]=3 12425 B11R0.4 CCSCCOCC(O)COC 7a_100000212035_100011215053 [0,2,0,0,0,0|1,0,0]=3 12426 B11R0.4 CCSCCOC[C@@H](O)CC#N 7a_100000212035_100000001066 [0,2,0,0,0,0|1,0,1]=4 12427 B11R0.4 CCSCCSCC(O)COC 62a_100000757381_100011215053 [0,2,0,0,0,0|1,1,0]=4 12428 B11R0.4 CCSCCSCC(O)COC 62a_100011215053_100000757381 [0,2,0,0,0,0|1,1,0]=4 12429 B11R0.4 CNCCCOCC(O)COC 34a_100000213112_100011215053 [0,2,0,0,0,0|1,0,0]=3 12430 B11R0.4 COCC(C)NCCCCCO 2230a_100000762737_100000765312 [0,2,0,0,0,0|2,0,0]=4 12431 B11R0.4 COCC(C)NCCCCCO 270004a_100000762737_100000749346 [0,2,0,0,0,0|2,0,0]=4 12432 B11R0.4 COCC(C)NCCCCCO 34a_100000762737_100000765312 [0,2,0,0,0,0|2,0,0]=4 12433 B11R0.4 COCC(C)OCCCCCBr 34a_100000746331_100000765312 [0,2,0,0,0,0|1,0,0]=3 12434 B11R0.4 COCC(C)OCCCCCBr 7a_100000746331_100000765312 [0,2,0,0,0,0|1,0,0]=3 12435 B11R0.4 COCC(C)OCCCCCCl 34a_100000746330_100000765312 [0,2,0,0,0,0|1,0,0]=3 12436 B11R0.4 COCC(C)OCCCCCCl 7a_100000746330_100000765312 [0,2,0,0,0,0|1,0,0]=3 12437 B11R0.4 COCC(C)OCCCCCI 34a_200012148887_100000765312 [0,2,0,0,0,0|1,0,0]=3 12438 B11R0.4 COCC(C)OCCCCCI 7a_200012148887_100000765312 [0,2,0,0,0,0|1,0,0]=3 12439 B11R0.4 COCC(C)OCCCCCN 34a_100000762737_100000765312 [0,2,0,0,0,0|1,0,0]=3 12440 B11R0.4 COCC(C)OCCCCSC 34a_100011217163_100000765312 [0,2,0,0,0,0|1,0,0]=3 12441 B11R0.4 COCC(C)OCCCCSC 7a_100011217163_100000765312 [0,2,0,0,0,0|1,0,0]=3 12442 B11R0.4 COCC(C)OCCOCCBr 34a_100000692535_100000765312 [0,2,0,0,0,0|2,0,0]=4 12443 B11R0.4 COCC(C)OCCOCCBr 7a_100000692535_100000765312 [0,2,0,0,0,0|2,0,0]=4 12444 B11R0.4 COCC(C)OCCOCCCl 34a_100011215305_100000765312 [0,2,0,0,0,0|2,0,0]=4 12445 B11R0.4 COCC(C)OCCOCCCl 7a_100011215305_100000765312 [0,2,0,0,0,0|2,0,0]=4 12446 B11R0.4 COCC(C)OCCOCCF 34a_200015357709_100000765312 [0,2,0,0,0,0|2,0,0]=4 12447 B11R0.4 COCC(C)OCCOCCF 7a_200015357709_100000765312 [0,2,0,0,0,0|2,0,0]=4 12448 B11R0.4 COCC(C)OCCOCCI 34a_100012149058_100000765312 [0,2,0,0,0,0|2,0,0]=4 12449 B11R0.4 COCC(C)OCCOCCI 7a_100012149058_100000765312 [0,2,0,0,0,0|2,0,0]=4 12450 B11R0.4 COCC(C)OCCOCCN 34a_100000211614_100000765312 [0,2,0,0,0,0|2,0,0]=4 12451 B11R0.4 COCC(C)SCCCCCF 62a_100000729378_100000765312 [0,2,0,0,0,0|1,1,0]=4 12452 B11R0.4 COCC(C)SCCCCCF 62a_100000765312_100000729378 [0,2,0,0,0,0|1,1,0]=4 12453 B11R0.4 COCC(C)SCCCCCO 62a_100000746330_100000765312 [0,2,0,0,0,0|1,1,0]=4 12454 B11R0.4 COCC(C)SCCCCCO 62a_100000765312_100000746330 [0,2,0,0,0,0|1,1,0]=4 12455 B11R0.4 COCC(N)COCCCCF 34a_100000724102_100000729493 [0,2,0,0,0,0|1,0,0]=3 12456 B11R0.4 COCC(N)COCCCCO 34a_100000724102_100011216708 [0,2,0,0,0,0|1,0,0]=3 12457 B11R0.4 COCC(O)CNCCCCF 2230a_100000756049_100000729493 [0,2,0,0,0,0|2,0,0]=4 12458 B11R0.4 COCC(O)CNCCCCF 34a_100000756049_100000729493 [0,2,0,0,0,0|2,0,0]=4 12459 B11R0.4 COCC(O)CNCCCCO 2230a_100000756049_100000210776 [0,2,0,0,0,0|2,0,0]=4 12460 B11R0.4 COCC(O)CNCCCCO 34a_100000750430_100011215053 [0,2,0,0,0,0|2,0,0]=4 12461 B11R0.4 COCC(O)CNCCCCO 34a_100000756049_100011216708 [0,2,0,0,0,0|2,0,0]=4 12462 B11R0.4 COCC(O)COCCCCBr 34a_100011216708_100011215053 [0,2,0,0,0,0|1,0,0]=3 12463 B11R0.4 COCC(O)COCCCCCl 34a_100000210776_100011215053 [0,2,0,0,0,0|1,0,0]=3 12464 B11R0.4 COCC(O)COCCCCCl 7a_100000210776_100011215053 [0,2,0,0,0,0|1,0,0]=3 12465 B11R0.4 COCC(O)COCCCCF 34a_100011995726_100011215053 [0,2,0,0,0,0|1,0,0]=3 12466 B11R0.4 COCC(O)COCCCCF 7a_100011995726_100011215053 [0,2,0,0,0,0|1,0,0]=3 12467 B11R0.4 COCC(O)COCCCCI 34a_200012148704_100011215053 [0,2,0,0,0,0|1,0,0]=3 12468 B11R0.4 COCC(O)COCCCCN 34a_100000750430_100011215053 [0,2,0,0,0,0|1,0,0]=3 12469 B11R0.4 COCC(O)COCCCSC 34a_100000690336_100011215053 [0,2,0,0,0,0|1,0,0]=3 12470 B11R0.4 COCC(O)COCCCSC 7a_100000690336_100011215053 [0,2,0,0,0,0|1,0,0]=3 12471 B11R0.4 COCC(O)CSCCCCF 62a_100000729493_100011215053 [0,2,0,0,0,0|1,1,0]=4 12472 B11R0.4 COCC(O)CSCCCCF 62a_100011215053_100000729493 [0,2,0,0,0,0|1,1,0]=4 12473 B11R0.4 COCC(O)CSCCCCO 62a_100000210776_100011215053 [0,2,0,0,0,0|1,1,0]=4 12474 B11R0.4 COCC(O)CSCCCCO 62a_100011215053_100000210776 [0,2,0,0,0,0|1,1,0]=4 12475 B11R0.4 COCCCCN[C@H](C)CCO 2230a_100000706166_100000730899 [0,2,0,0,0,0|2,0,0]=4 12476 B11R0.4 COCCCCN[C@H](C)CCO 34a_100000706166_100000755781 [0,2,0,0,0,0|2,0,0]=4 12477 B11R0.4 COCCCCN[C@H](C)COC 2230a_100000764878_100000730899 [0,2,0,0,0,0|2,0,0]=4 12478 B11R0.4 COCCCCOC(C)CCBr 34a_100012276601_100000755781 [0,2,0,0,0,0|1,0,0]=3 12479 B11R0.4 COCCCCOC(C)CCO 34a_100000740925_100009893172 [0,2,0,0,0,0|1,0,0]=3 12480 B11R0.4 COCCCCOC(C)COC 34a_100000740925_100000765312 [0,2,0,0,0,0|1,0,0]=3 12481 B11R0.4 COCCCCO[C@H](C)COC 34a_100011934205_100000755781 [0,2,0,0,0,0|1,0,0]=3 12482 B11R0.4 COCCCCSC(C)CCO 62a_100000730899_100009893172 [0,2,0,0,0,0|1,1,0]=4 12483 B11R0.4 COCCCCSC(C)CCO 62a_100009893172_100000730899 [0,2,0,0,0,0|1,1,0]=4 12484 B11R0.4 COCCCCSC(C)COC 62a_100000730899_100000765312 [0,2,0,0,0,0|1,1,0]=4 12485 B11R0.4 COCCCCSC(C)COC 62a_100000765312_100000730899 [0,2,0,0,0,0|1,1,0]=4 12486 B11R0.4 COCCCNCC(O)COC 2230a_100000756049_100000740836 [0,2,0,0,0,0|2,0,0]=4 12487 B11R0.4 COCCCNCC(O)COC 34a_100000756049_100000740836 [0,2,0,0,0,0|2,0,0]=4 12488 B11R0.4 COCCCNCC(O)COC 34a_100150723488_100011215053 [0,2,0,0,0,0|2,0,0]=4 12489 B11R0.4 COCCCOCC(C)CCN 34a_106354213184_100000740836 [0,2,0,0,0,0|1,0,0]=3 12490 B11R0.4 COCCCOCC(N)COC 34a_100000724102_100000740836 [0,2,0,0,0,0|1,0,0]=3 12491 B11R0.4 COCCCOCC(O)COC 34a_100000740835_100011215053 [0,2,0,0,0,0|1,0,0]=3 12492 B11R0.4 COCCCSCC(O)COC 62a_100000709357_100011215053 [0,2,0,0,0,0|1,1,0]=4 12493 B11R0.4 COCCCSCC(O)COC 62a_100011215053_100000709357 [0,2,0,0,0,0|1,1,0]=4 12494 B11R0.4 COCCOCCC(=O)CCF 1458a_100000745395_100011217306 [0,2,0,0,0,0|1,0,1]=4 12495 B11R0.4 COCCOCCC(=O)CCO 1458a_100000745395_100000211926 [0,2,0,0,0,0|1,0,1]=4 12496 B11R0.4 COCCOCCC(=O)CCO 1458a_100011216618_100000695917 [0,2,0,0,0,0|1,0,1]=4 12497 B11R0.4 COCCOCCC(=O)COC 1458a_100000210968_100000695917 [0,2,0,0,0,0|1,0,1]=4 12498 B11R0.4 COCCOCCC(=O)CSC 1458a_100000184570_100000695917 [0,2,0,0,0,0|1,0,1]=4 12499 B11R0.4 COCCOCCN(C)CCO 2230a_100000210263_100000695917 [0,2,0,0,0,0|2,0,0]=4 12500 B11R0.4 COCCOCCN(C)CCO 269982a_100000210263_100000695917 [0,2,0,0,0,0|2,0,0]=4 12501 B11R0.4 COCCOCN[C@H](C)CCO 2230a_100000706166_100000231047 [0,2,0,0,0,0|2,0,0]=4 12502 B11R0.4 COCCOCN[C@H](C)COC 2230a_100000764878_100000231047 [0,2,0,0,0,0|2,0,0]=4 12503 B11R0.4 COCCOCSC(C)CCO 62a_100000231047_100009893172 [0,2,0,0,0,0|2,0,0]=4 12504 B11R0.4 COCCOCSC(C)CCO 62a_100009893172_100000231047 [0,2,0,0,0,0|2,0,0]=4 12505 B11R0.4 COCCOCSC(C)COC 62a_100000231047_100000765312 [0,2,0,0,0,0|2,0,0]=4 12506 B11R0.4 COCCOCSC(C)COC 62a_100000765312_100000231047 [0,2,0,0,0,0|2,0,0]=4 12507 B11R0.4 COC[C@@H](C)NCCCCCF 2230a_100000764878_100000729378 [0,2,0,0,0,0|2,0,0]=4 12508 B11R0.4 COC[C@@H](C)NCCCCCO 2230a_100000764878_100000746330 [0,2,0,0,0,0|2,0,0]=4 12509 B11R0.4 COC[C@@H](C)OCCCCCF 34a_100011934205_100000729378 [0,2,0,0,0,0|1,0,0]=3 12510 B11R0.4 COC[C@@H](C)OCCCCCO 34a_100011934205_100000746330 [0,2,0,0,0,0|1,0,0]=3 12511 B11R0.4 COC[C@@H](C)OCCOCCO 34a_100011934205_100000692535 [0,2,0,0,0,0|2,0,0]=4 12512 B11R0.4 CSCC(C)NCCCCCO 270004a_100000762737_100011216314 [0,2,0,0,0,0|2,0,0]=4 12513 B11R0.4 CSCCCCOC(C)CC#N 7a_100011217163_100009813641 [0,2,0,0,0,0|1,0,1]=4 12514 B11R0.4 CSCCCCOC(C)CCO 34a_100011217163_100009893172 [0,2,0,0,0,0|1,0,0]=3 12515 B11R0.4 CSCCCCOC(C)CCO 7a_100011217163_100009893172 [0,2,0,0,0,0|1,0,0]=3 12516 B11R0.4 CSCCCOC[C@@H](O)CC#N 7a_100000690336_100000001066 [0,2,0,0,0,0|1,0,1]=4 12517 B11R0.4 C[C@H](CCO)NCCCCCF 2230a_100000706166_100000729378 [0,2,0,0,0,0|2,0,0]=4 12518 B11R0.4 C[C@H](CCO)NCCCCCF 34a_100000706166_100000729378 [0,2,0,0,0,0|2,0,0]=4 12519 B11R0.4 C[C@H](CCO)NCCCCCO 2230a_100000706166_100000746330 [0,2,0,0,0,0|2,0,0]=4 12520 B11R0.4 C[C@H](CCO)NCCCCCO 34a_100000706166_100000746330 [0,2,0,0,0,0|2,0,0]=4 12521 B11R0.4 N#CC[C@H](O)COCCCCCl 7a_100000210776_100000001066 [0,2,0,0,0,0|1,0,1]=4 12522 B11R0.4 N#CC[C@H](O)COCCCCF 7a_100011995726_100000001066 [0,2,0,0,0,0|1,0,1]=4 12523 B11R0.5 C#CCC(C)OC(C)CCCC 34a_100000685586_200011215066 [0,2,0,0,0,0|0,0,2]=4 12524 B11R0.5 C#CCC(C)OC(C)CCCC 7a_100000685586_200011215066 [0,2,0,0,0,0|0,0,2]=4 12525 B11R0.5 C/C=C/C(C)OC(C)CCCC 34a_200102604097_200011215066 [0,2,0,0,0,0|0,0,2]=4 12526 B11R0.5 C=C(CCC)CC(=O)CCCC 1458a_100000138376_100000210211 [0,2,0,0,0,0|1,0,1]=4 12527 B11R0.5 C=CCCC(C)OC(C)CCC 34a_100000765329_100000766640 [0,2,0,0,0,0|0,0,2]=4 12528 B11R0.5 C=CCCC(C)OC(C)CCC 7a_100000765329_100000766640 [0,2,0,0,0,0|0,0,2]=4 12529 B11R0.5 C=CC[C@@H](C)OC(C)CCCC 34a_100000731007_200011215066 [0,2,0,0,0,0|0,0,2]=4 12530 B11R0.5 C=CC[C@@H](C)OC(C)CCCC 7a_100000731007_200011215066 [0,2,0,0,0,0|0,0,2]=4 12531 B11R0.5 CC#CC(C)OC(C)CCCC 34a_100011216543_200011215066 [0,2,0,0,0,0|0,0,2]=4 12532 B11R0.5 CC(CCO)OC(C)CCCCl 34a_200000718107_100009893172 [0,2,0,0,0,0|2,0,0]=4 12533 B11R0.5 CC(CCO)OC(C)CCCCl 7a_200000718107_100009893172 [0,2,0,0,0,0|2,0,0]=4 12534 B11R0.5 CCC#CC(C)OC(C)CCC 34a_100000033903_100000766640 [0,2,0,0,0,0|0,0,2]=4 12535 B11R0.5 CCC#CC(C)OC(C)CCC 7a_100000033903_100000766640 [0,2,0,0,0,0|0,0,2]=4 12536 B11R0.5 CCCC(C)CC(=O)CCCF 1458a_100000748435_100011934791 [0,2,0,0,0,0|2,0,0]=4 12537 B11R0.5 CCCC(C)CC(=O)CCCO 1458a_100000748435_100011215043 [0,2,0,0,0,0|2,0,0]=4 12538 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000748435_100000233755 [0,2,0,0,0,0|2,0,0]=4 12539 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000749529_100011216630 [0,2,0,0,0,0|2,0,0]=4 12540 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000174002_100011216630 [0,2,0,0,0,0|2,0,0]=4 12541 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000748435_100000751147 [0,2,0,0,0,0|2,0,0]=4 12542 B11R0.5 CCCC(C)CC(=O)COCC 1458a_100000211967_100011216630 [0,2,0,0,0,0|2,0,0]=4 12543 B11R0.5 CCCC(C)CC(=O)CSCC 1458a_100000230394_100011216630 [0,2,0,0,0,0|2,0,0]=4 12544 B11R0.5 CCCC(C)CN(C)CCCO 2230a_100000213112_100011216630 [0,2,0,0,0,0|2,0,0]=4 12545 B11R0.5 CCCC(C)CN(C)CCCO 269982a_100000213112_100011216630 [0,2,0,0,0,0|2,0,0]=4 12546 B11R0.5 CCCC(C)CN(C)CCCO 270004a_100000213112_100000243154 [0,2,0,0,0,0|2,0,0]=4 12547 B11R0.5 CCCC(C)CN(C)CCOC 2230a_100000743101_100011216630 [0,2,0,0,0,0|2,0,0]=4 12548 B11R0.5 CCCC(C)CN(C)CCOC 269982a_100000743101_100011216630 [0,2,0,0,0,0|2,0,0]=4 12549 B11R0.5 CCCC(C)CN(C)CCOC 270004a_100000743101_100000243154 [0,2,0,0,0,0|2,0,0]=4 12550 B11R0.5 CCCC(C)CN(C)CCSC 2230a_100000686725_100011216630 [0,2,0,0,0,0|2,0,0]=4 12551 B11R0.5 CCCC(C)CN(C)CCSC 269982a_100000686725_100011216630 [0,2,0,0,0,0|2,0,0]=4 12552 B11R0.5 CCCC(C)CN(C)CCSC 270004a_100000686725_100000243154 [0,2,0,0,0,0|2,0,0]=4 12553 B11R0.5 CCCC(C)NC(C)CCOC 270004a_100000741246_100000742357 [0,2,0,0,0,0|2,0,0]=4 12554 B11R0.5 CCCC(C)NC(C)CCSC 270004a_100000741246_100011217047 [0,2,0,0,0,0|2,0,0]=4 12555 B11R0.5 CCCC(C)NC(C)CSCC 270004a_100000741246_200011216171 [0,2,0,0,0,0|2,0,0]=4 12556 B11R0.5 CCCC(C)OC(C)CCCCl 34a_200000718107_100000766640 [0,2,0,0,0,0|1,0,0]=3 12557 B11R0.5 CCCC(C)OC(C)CCCCl 7a_200000718107_100000766640 [0,2,0,0,0,0|1,0,0]=3 12558 B11R0.5 CCCC(C)OC(C)COCC 34a_100000718985_100000766640 [0,2,0,0,0,0|1,0,0]=3 12559 B11R0.5 CCCC(C)OC(C)COCC 7a_100000718985_100000766640 [0,2,0,0,0,0|1,0,0]=3 12560 B11R0.5 CCCCC(=O)CC(=O)CCC 1458a_100000210183_100000747444 [0,2,0,0,0,0|1,0,1]=4 12561 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000210183_100011216630 [0,2,0,0,0,0|1,0,0]=3 12562 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000748435_100000210211 [0,2,0,0,0,0|1,0,0]=3 12563 B11R0.5 CCCCC(=O)CC(C)SCC 1458a_200011311441_100000210211 [0,2,0,0,0,0|2,0,0]=4 12564 B11R0.5 CCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210211 [0,2,0,0,0,0|2,0,0]=4 12565 B11R0.5 CCCCC(=O)NC(C)CCC 11a_100000741246_100000210183 [0,2,0,0,0,0|1,0,1]=4 12566 B11R0.5 CCCCC(=O)NC(C)CCC 1626a_100000741246_100000210183 [0,2,0,0,0,0|1,0,1]=4 12567 B11R0.5 CCCCC(=O)NC(C)CCC 240690a_100000741246_100000210183 [0,2,0,0,0,0|1,0,1]=4 12568 B11R0.5 CCCCC(=O)NC(C)CCC 527a_100000741246_100000210183 [0,2,0,0,0,0|1,0,1]=4 12569 B11R0.5 CCCCC(C)NC(=O)CCC 11a_100000126638_100000211992 [0,2,0,0,0,0|1,0,1]=4 12570 B11R0.5 CCCCC(C)NC(=O)CCC 1626a_100000126638_100000211992 [0,2,0,0,0,0|1,0,1]=4 12571 B11R0.5 CCCCC(C)NC(=O)CCC 240690a_100000126638_100000211992 [0,2,0,0,0,0|1,0,1]=4 12572 B11R0.5 CCCCC(C)NC(=O)CCC 527a_100000126638_100000211992 [0,2,0,0,0,0|1,0,1]=4 12573 B11R0.5 CCCCC(C)NC(C)CCC 2230a_100000126638_100000766640 [0,2,0,0,0,0|1,0,0]=3 12574 B11R0.5 CCCCC(C)NC(C)CCC 2230a_100000741246_200011215066 [0,2,0,0,0,0|1,0,0]=3 12575 B11R0.5 CCCCC(C)NC(C)CCC 270004a_100000126638_100000211909 [0,2,0,0,0,0|1,0,0]=3 12576 B11R0.5 CCCCC(C)NC(C)CCC 270004a_100000741246_100000210087 [0,2,0,0,0,0|1,0,0]=3 12577 B11R0.5 CCCCC(C)NC(C)CCO 2230a_100000126638_100009893172 [0,2,0,0,0,0|2,0,0]=4 12578 B11R0.5 CCCCC(C)NC(C)COC 2230a_100000126638_100000765312 [0,2,0,0,0,0|2,0,0]=4 12579 B11R0.5 CCCCC(C)NC(C)COC 270004a_100000126638_100000749346 [0,2,0,0,0,0|2,0,0]=4 12580 B11R0.5 CCCCC(C)NC(C)CSC 270004a_100000126638_100011216314 [0,2,0,0,0,0|2,0,0]=4 12581 B11R0.5 CCCCC(C)N[C@H](C)CCO 2230a_100000706166_200011215066 [0,2,0,0,0,0|2,0,0]=4 12582 B11R0.5 CCCCC(C)N[C@H](C)CCO 270004a_100000706166_100000210087 [0,2,0,0,0,0|2,0,0]=4 12583 B11R0.5 CCCCC(C)N[C@H](C)CCO 34a_100000706166_200011215066 [0,2,0,0,0,0|2,0,0]=4 12584 B11R0.5 CCCCC(C)N[C@H](C)COC 2230a_100000764878_200011215066 [0,2,0,0,0,0|2,0,0]=4 12585 B11R0.5 CCCCC(C)N[C@H](C)COC 270004a_100000764878_100000210087 [0,2,0,0,0,0|2,0,0]=4 12586 B11R0.5 CCCCC(C)OC(C)CC#N 7a_100000687866_100009813641 [0,2,0,0,0,0|1,0,1]=4 12587 B11R0.5 CCCCC(C)OC(C)CCBr 34a_100012276601_200011215066 [0,2,0,0,0,0|1,0,0]=3 12588 B11R0.5 CCCCC(C)OC(C)CCC 34a_100000687866_100000766640 [0,2,0,0,0,0|0,0,0]=2 12589 B11R0.5 CCCCC(C)OC(C)CCC 34a_100000764384_200011215066 [0,2,0,0,0,0|0,0,0]=2 12590 B11R0.5 CCCCC(C)OC(C)CCC 7a_100000687866_100000766640 [0,2,0,0,0,0|0,0,0]=2 12591 B11R0.5 CCCCC(C)OC(C)CCC 7a_100000764384_200011215066 [0,2,0,0,0,0|0,0,0]=2 12592 B11R0.5 CCCCC(C)OC(C)CCO 34a_100000687866_100009893172 [0,2,0,0,0,0|1,0,0]=3 12593 B11R0.5 CCCCC(C)OC(C)CCO 7a_100000687866_100009893172 [0,2,0,0,0,0|1,0,0]=3 12594 B11R0.5 CCCCC(C)OC(C)COC 34a_100000687866_100000765312 [0,2,0,0,0,0|1,0,0]=3 12595 B11R0.5 CCCCC(C)OC(C)COC 7a_100000687866_100000765312 [0,2,0,0,0,0|1,0,0]=3 12596 B11R0.5 CCCCC(C)O[C@H](C)COC 34a_100011934205_200011215066 [0,2,0,0,0,0|1,0,0]=3 12597 B11R0.5 CCCCC(C)SC(C)CCC 62a_100000766640_200011215066 [0,2,0,0,0,0|0,1,0]=3 12598 B11R0.5 CCCCC(C)SC(C)CCC 62a_200011215066_100000766640 [0,2,0,0,0,0|0,1,0]=3 12599 B11R0.5 CCCCC(C)SC(C)CCO 62a_100009893172_200011215066 [0,2,0,0,0,0|1,1,0]=4 12600 B11R0.5 CCCCC(C)SC(C)CCO 62a_200011215066_100009893172 [0,2,0,0,0,0|1,1,0]=4 12601 B11R0.5 CCCCC(C)SC(C)COC 62a_100000765312_200011215066 [0,2,0,0,0,0|1,1,0]=4 12602 B11R0.5 CCCCC(C)SC(C)COC 62a_200011215066_100000765312 [0,2,0,0,0,0|1,1,0]=4 12603 B11R0.5 CCCCN(C)CC(=O)CCC 2230a_100000207549_100000747444 [0,2,0,0,0,0|1,0,1]=4 12604 B11R0.5 CCCCN(C)CC(=O)CCC 269982a_100000207549_100000747444 [0,2,0,0,0,0|1,0,1]=4 12605 B11R0.5 CCCCN(C)CC(C)CCC 2230a_100000207549_100011216630 [0,2,0,0,0,0|1,0,0]=3 12606 B11R0.5 CCCCN(C)CC(C)CCC 269982a_100000207549_100011216630 [0,2,0,0,0,0|1,0,0]=3 12607 B11R0.5 CCCCN(C)CC(C)CCC 270004a_100000207549_100000243154 [0,2,0,0,0,0|1,0,0]=3 12608 B11R0.5 CCCCN(C)CC(O)COC 2230a_100000739405_100000210211 [0,2,0,0,0,0|2,0,0]=4 12609 B11R0.5 CCCCN(C)CC(O)COC 269982a_100000739405_100000210211 [0,2,0,0,0,0|2,0,0]=4 12610 B11R0.5 CCCNC(=O)CC(C)CCC 11a_100020643023_100000748435 [0,2,0,0,0,0|2,0,0]=4 12611 B11R0.5 CCCNC(=O)CC(C)CCC 1626a_100020643023_100000748435 [0,2,0,0,0,0|2,0,0]=4 12612 B11R0.5 CCCNC(=O)CC(C)CCC 240690a_100020643023_100000748435 [0,2,0,0,0,0|2,0,0]=4 12613 B11R0.5 CCCNC(=O)CC(C)CCC 527a_100020643023_100000748435 [0,2,0,0,0,0|2,0,0]=4 12614 B11R0.5 CCOCC(C)OC(C)CCO 34a_100000718985_100009893172 [0,2,0,0,0,0|2,0,0]=4 12615 B11R0.5 CCOCC(C)OC(C)CCO 7a_100000718985_100009893172 [0,2,0,0,0,0|2,0,0]=4 12616 B11R0.5 CCOCC(C)OC(C)COC 34a_100000718985_100000765312 [0,2,0,0,0,0|2,0,0]=4 12617 B11R0.5 CCOCC(C)OC(C)COC 7a_100000718985_100000765312 [0,2,0,0,0,0|2,0,0]=4 12618 B11R0.5 CCOC[C@@H](C)OC(C)OCC 34a_200015424329_100000210202 [0,2,0,0,0,0|2,0,0]=4 12619 B11R0.5 CCOC[C@@H](C)OC(C)OCC 7a_200015424329_100000210202 [0,2,0,0,0,0|2,0,0]=4 12620 B11R0.5 COCC(C)OC(C)CCCCl 34a_200000718107_100000765312 [0,2,0,0,0,0|2,0,0]=4 12621 B11R0.5 COCC(C)OC(C)CCCCl 7a_200000718107_100000765312 [0,2,0,0,0,0|2,0,0]=4 12622 B11R0.62 C#CCC(C)OCC(C)CCC 34a_100000685586_100011216630 [0,2,0,0,0,0|0,0,2]=4 12623 B11R0.62 C#CCC(C)OCC(C)CCC 7a_100000685586_100011216630 [0,2,0,0,0,0|0,0,2]=4 12624 B11R0.62 C/C=C/C(C)OCC(C)CCC 34a_200102604097_100011216630 [0,2,0,0,0,0|0,0,2]=4 12625 B11R0.62 C=CCC(C)COC(C)CCC 34a_100009832082_100000766640 [0,2,0,0,0,0|0,0,2]=4 12626 B11R0.62 C=CCC(C)COC(C)CCC 7a_100009832082_100000766640 [0,2,0,0,0,0|0,0,2]=4 12627 B11R0.62 C=CC[C@@H](C)OCC(C)CCC 34a_100000731007_100011216630 [0,2,0,0,0,0|0,0,2]=4 12628 B11R0.62 C=CC[C@@H](C)OCC(C)CCC 7a_100000731007_100011216630 [0,2,0,0,0,0|0,0,2]=4 12629 B11R0.62 C=CC[C@@H](N)COC(C)CCC 34a_100020615467_100000766640 [0,2,0,0,0,0|0,0,2]=4 12630 B11R0.62 CC#CC(C)OCC(C)CCC 34a_100011216543_100011216630 [0,2,0,0,0,0|0,0,2]=4 12631 B11R0.62 CC(CCN)COC(C)CCO 34a_106354213184_100009893172 [0,2,0,0,0,0|2,0,0]=4 12632 B11R0.62 CCCC(=O)CNC(C)CCC 2230a_100000741246_100000747444 [0,2,0,0,0,0|1,0,1]=4 12633 B11R0.62 CCCC(=O)COC(=O)CCC 1458a_100000211992_100000034017 [0,2,0,0,0,0|0,0,2]=4 12634 B11R0.62 CCCC(=O)COC(C)CCC 7a_100000764384_100000747444 [0,2,0,0,0,0|0,0,1]=3 12635 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000747444_100000766640 [0,2,0,0,0,0|0,1,1]=4 12636 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000766640_100000747444 [0,2,0,0,0,0|0,1,1]=4 12637 B11R0.62 CCCC(=O)OCN(C)CCC 2230a_100000747261_100000034017 [0,2,0,0,0,0|1,0,1]=4 12638 B11R0.62 CCCC(=O)OCN(C)CCC 269982a_100000747261_100000034017 [0,2,0,0,0,0|1,0,1]=4 12639 B11R0.62 CCCC(C)CCC(C)NCC 270004a_100015525214_200011216527 [0,2,0,0,0,0|2,0,0]=4 12640 B11R0.62 CCCC(C)CNC(C)CCC 2230a_100000741246_100011216630 [0,2,0,0,0,0|1,0,0]=3 12641 B11R0.62 CCCC(C)CNC(C)CCC 270004a_100000741246_100000243154 [0,2,0,0,0,0|1,0,0]=3 12642 B11R0.62 CCCC(C)CN[C@H](C)CCO 2230a_100000706166_100011216630 [0,2,0,0,0,0|2,0,0]=4 12643 B11R0.62 CCCC(C)CN[C@H](C)CCO 270004a_100000706166_100000243154 [0,2,0,0,0,0|2,0,0]=4 12644 B11R0.62 CCCC(C)CN[C@H](C)CCO 34a_100000706166_100011216630 [0,2,0,0,0,0|2,0,0]=4 12645 B11R0.62 CCCC(C)CN[C@H](C)COC 2230a_100000764878_100011216630 [0,2,0,0,0,0|2,0,0]=4 12646 B11R0.62 CCCC(C)CN[C@H](C)COC 270004a_100000764878_100000243154 [0,2,0,0,0,0|2,0,0]=4 12647 B11R0.62 CCCC(C)COC(C)CC#N 7a_100000688023_100009813641 [0,2,0,0,0,0|1,0,1]=4 12648 B11R0.62 CCCC(C)COC(C)CCBr 34a_100012276601_100011216630 [0,2,0,0,0,0|1,0,0]=3 12649 B11R0.62 CCCC(C)COC(C)CCC 34a_100000688023_100000766640 [0,2,0,0,0,0|0,0,0]=2 12650 B11R0.62 CCCC(C)COC(C)CCC 34a_100000764384_100011216630 [0,2,0,0,0,0|0,0,0]=2 12651 B11R0.62 CCCC(C)COC(C)CCC 7a_100000688023_100000766640 [0,2,0,0,0,0|0,0,0]=2 12652 B11R0.62 CCCC(C)COC(C)CCC 7a_100000764384_100011216630 [0,2,0,0,0,0|0,0,0]=2 12653 B11R0.62 CCCC(C)COC(C)CCO 34a_100000688023_100009893172 [0,2,0,0,0,0|1,0,0]=3 12654 B11R0.62 CCCC(C)COC(C)CCO 7a_100000688023_100009893172 [0,2,0,0,0,0|1,0,0]=3 12655 B11R0.62 CCCC(C)COC(C)COC 34a_100000688023_100000765312 [0,2,0,0,0,0|1,0,0]=3 12656 B11R0.62 CCCC(C)COC(C)COC 7a_100000688023_100000765312 [0,2,0,0,0,0|1,0,0]=3 12657 B11R0.62 CCCC(C)CO[C@H](C)COC 34a_100011934205_100011216630 [0,2,0,0,0,0|1,0,0]=3 12658 B11R0.62 CCCC(C)CSC(C)CCC 62a_100000766640_100011216630 [0,2,0,0,0,0|0,1,0]=3 12659 B11R0.62 CCCC(C)CSC(C)CCC 62a_100011216630_100000766640 [0,2,0,0,0,0|0,1,0]=3 12660 B11R0.62 CCCC(C)CSC(C)CCO 62a_100009893172_100011216630 [0,2,0,0,0,0|1,1,0]=4 12661 B11R0.62 CCCC(C)CSC(C)CCO 62a_100011216630_100009893172 [0,2,0,0,0,0|1,1,0]=4 12662 B11R0.62 CCCC(C)CSC(C)COC 62a_100000765312_100011216630 [0,2,0,0,0,0|1,1,0]=4 12663 B11R0.62 CCCC(C)CSC(C)COC 62a_100011216630_100000765312 [0,2,0,0,0,0|1,1,0]=4 12664 B11R0.62 CCCC(C)NCC(O)COC 2230a_100000756049_100000766640 [0,2,0,0,0,0|2,0,0]=4 12665 B11R0.62 CCCC(C)NCC(O)COC 270004a_100000756049_100000211909 [0,2,0,0,0,0|2,0,0]=4 12666 B11R0.62 CCCC(C)NCC(O)COC 34a_100000756049_100000766640 [0,2,0,0,0,0|2,0,0]=4 12667 B11R0.62 CCCC(C)OCC(=O)NCC 34a_100000764384_100000183381 [0,2,0,0,0,0|1,0,1]=4 12668 B11R0.62 CCCC(C)OCC(=O)NCC 7a_100000764384_100000183381 [0,2,0,0,0,0|1,0,1]=4 12669 B11R0.62 CCCC(C)OCC(=O)OCC 34a_100000764384_100000188475 [0,2,0,0,0,0|1,0,1]=4 12670 B11R0.62 CCCC(C)OCC(=O)OCC 7a_100000764384_100000188475 [0,2,0,0,0,0|1,0,1]=4 12671 B11R0.62 CCCC(C)OCC(C)CCN 34a_106354213184_100000766640 [0,2,0,0,0,0|1,0,0]=3 12672 B11R0.62 CCCC(C)OCC(N)COC 34a_100000724102_100000766640 [0,2,0,0,0,0|1,0,0]=3 12673 B11R0.62 CCCC(C)OCC(O)COC 34a_100000764384_100011215053 [0,2,0,0,0,0|1,0,0]=3 12674 B11R0.62 CCCC(C)OCC(O)COC 7a_100000764384_100011215053 [0,2,0,0,0,0|1,0,0]=3 12675 B11R0.62 CCCC(C)OC[C@@H](N)CCC 34a_100000732646_100000766640 [0,2,0,0,0,0|0,0,0]=2 12676 B11R0.62 CCCC(C)OC[C@@H](O)CC#N 7a_100000764384_100000001066 [0,2,0,0,0,0|1,0,1]=4 12677 B11R0.62 CCCC(C)SCC(O)COC 62a_100000766640_100011215053 [0,2,0,0,0,0|1,1,0]=4 12678 B11R0.62 CCCC(C)SCC(O)COC 62a_100011215053_100000766640 [0,2,0,0,0,0|1,1,0]=4 12679 B11R0.62 CCC[C@H](N)COC(C)CCO 34a_100000732646_100009893172 [0,2,0,0,0,0|1,0,0]=3 12680 B11R0.62 CCC[C@H](N)COC(C)COC 34a_100000732646_100000765312 [0,2,0,0,0,0|1,0,0]=3 12681 B11R0.62 CCOC(C)COC(C)COC 34a_200011930013_100000210202 [0,2,0,0,0,0|2,0,0]=4 12682 B11R0.62 CCOC(C)COC(C)COC 7a_200011930013_100000210202 [0,2,0,0,0,0|2,0,0]=4 12683 B11R0.62 COCC(C)OCC(C)CCN 34a_106354213184_100000765312 [0,2,0,0,0,0|2,0,0]=4 12684 B11R0.62 COCC(N)COC(C)CCO 34a_100000724102_100009893172 [0,2,0,0,0,0|2,0,0]=4 12685 B11R0.62 COCC(N)COC(C)COC 34a_100000724102_100000765312 [0,2,0,0,0,0|2,0,0]=4 12686 B11R0.62 COCC(O)COC(C)CCBr 34a_100012276601_100011215053 [0,2,0,0,0,0|2,0,0]=4 12687 B11R0.62 COCC(O)CO[C@H](C)COC 34a_100011934205_100011215053 [0,2,0,0,0,0|2,0,0]=4 12688 B11R0.81 C#CCCC(=O)COCCCC 1458a_100000692101_100011995733 [0,2,0,0,0,0|0,0,2]=4 12689 B11R0.81 C#CCCC(=O)COCCCC 1458a_100000757543_100000753159 [0,2,0,0,0,0|0,0,2]=4 12690 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000210183_100010269958 [0,2,0,0,0,0|1,0,1]=4 12691 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000696528_100000210211 [0,2,0,0,0,0|1,0,1]=4 12692 B11R0.81 C#CCCCCN(C)CCCC 2230a_100000207549_100010269958 [0,2,0,0,0,0|1,0,1]=4 12693 B11R0.81 C#CCCCCN(C)CCCC 269982a_100000207549_100010269958 [0,2,0,0,0,0|1,0,1]=4 12694 B11R0.81 C#CCCCNC(C)CCCC 2230a_100000126638_100000731252 [0,2,0,0,0,0|1,0,1]=4 12695 B11R0.81 C#CCCCNC(C)CCCC 270004a_100000718082_100000210087 [0,2,0,0,0,0|1,0,1]=4 12696 B11R0.81 C#CCCCNC(C)CCCC 34a_100000718082_200011215066 [0,2,0,0,0,0|1,0,1]=4 12697 B11R0.81 C#CCCCOC(C)CCCC 34a_100000215630_200011215066 [0,2,0,0,0,0|0,0,1]=3 12698 B11R0.81 C#CCCCOC(C)CCCC 34a_100000687866_100000695029 [0,2,0,0,0,0|0,0,1]=3 12699 B11R0.81 C#CCCCOC(C)CCCC 7a_100000215630_200011215066 [0,2,0,0,0,0|0,0,1]=3 12700 B11R0.81 C#CCCCOC(C)CCCC 7a_100000687866_100011215417 [0,2,0,0,0,0|0,0,1]=3 12701 B11R0.81 C#CCCCOC(C)CCCCl 34a_200000718107_100000695029 [0,2,0,0,0,0|0,0,2]=4 12702 B11R0.81 C#CCCCOC(C)CCCCl 7a_200000718107_100011215417 [0,2,0,0,0,0|0,0,2]=4 12703 B11R0.81 C#CCCCOC(C)COCC 34a_100000718985_100000695029 [0,2,0,0,0,0|0,0,2]=4 12704 B11R0.81 C#CCCCOC(C)COCC 7a_100000718985_100011215417 [0,2,0,0,0,0|0,0,2]=4 12705 B11R0.81 C#CCCCSC(C)CCCC 62a_100011215417_200011215066 [0,2,0,0,0,0|0,1,1]=4 12706 B11R0.81 C#CCCCSC(C)CCCC 62a_200011215066_100011215417 [0,2,0,0,0,0|0,1,1]=4 12707 B11R0.81 C#CCCOCC(C)CCCC 34a_100011995851_100000688953 [0,2,0,0,0,0|0,0,2]=4 12708 B11R0.81 C#CCCOCC(C)CCCC 7a_100011995851_100000688953 [0,2,0,0,0,0|0,0,2]=4 12709 B11R0.81 C#CCCOC[C@@H](N)CCCC 34a_100011934283_100000688953 [0,2,0,0,0,0|0,0,2]=4 12710 B11R0.81 C#CCCOC[C@@H](N)CCSC 34a_100011827619_100000688953 [0,2,0,0,0,0|0,0,2]=4 12711 B11R0.81 C#CCOC(C)COCCCC 34a_100011217071_100000184674 [0,2,0,0,0,0|0,0,2]=4 12712 B11R0.81 C#CCOC(C)COCCCC 34a_200000093152_100000210210 [0,2,0,0,0,0|0,0,2]=4 12713 B11R0.81 C#CCOC(C)COCCCC 7a_100011217071_100000038162 [0,2,0,0,0,0|0,0,2]=4 12714 B11R0.81 C#CCOC(C)COCCCC 7a_200000093152_100000210211 [0,2,0,0,0,0|0,0,2]=4 12715 B11R0.81 C/C=C/CC(=O)COCCCC 1458a_100000757543_100102629194 [0,2,0,0,0,0|0,0,2]=4 12716 B11R0.81 C/C=C/CCOC(C)CCCC 34a_100016278192_200011215066 [0,2,0,0,0,0|0,0,1]=3 12717 B11R0.81 C/C=C/COCC(C)CCCC 34a_100011995851_100102629194 [0,2,0,0,0,0|0,0,2]=4 12718 B11R0.81 C/C=C/COCC(C)CCCC 7a_100011995851_100102629194 [0,2,0,0,0,0|0,0,2]=4 12719 B11R0.81 C/C=C/COC[C@@H](N)CCCC 34a_100011934283_100102629194 [0,2,0,0,0,0|0,0,2]=4 12720 B11R0.81 C/C=C/COC[C@@H](N)CCSC 34a_100011827619_100102629194 [0,2,0,0,0,0|0,0,2]=4 12721 B11R0.81 C=C(COCCCC)OCOC 34a_100000210227_100000042856 [0,2,0,0,0,0|1,0,1]=4 12722 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000749702_100011995733 [0,2,0,0,0,0|0,0,2]=4 12723 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000757543_100000754431 [0,2,0,0,0,0|0,0,2]=4 12724 B11R0.81 C=CCCC(C)NCCCCC 270004a_100000209983_100000762624 [0,2,0,0,0,0|1,0,1]=4 12725 B11R0.81 C=CCCC(C)OCCCCC 34a_100000765329_100000718602 [0,2,0,0,0,0|0,0,1]=3 12726 B11R0.81 C=CCCC(C)OCCCCC 7a_100000765329_100000210326 [0,2,0,0,0,0|0,0,1]=3 12727 B11R0.81 C=CCCC(C)OCCCCF 34a_100000765329_100000729493 [0,2,0,0,0,0|0,0,2]=4 12728 B11R0.81 C=CCCC(C)OCCCCF 7a_100000765329_100000729493 [0,2,0,0,0,0|0,0,2]=4 12729 B11R0.81 C=CCCC(C)OCCCCO 34a_100000765329_100011216708 [0,2,0,0,0,0|0,0,2]=4 12730 B11R0.81 C=CCCC(C)OCCCCO 7a_100000765329_100000210776 [0,2,0,0,0,0|0,0,2]=4 12731 B11R0.81 C=CCCC(C)OCCCOC 34a_100000765329_100000740836 [0,2,0,0,0,0|0,0,2]=4 12732 B11R0.81 C=CCCC(C)OCCCOC 7a_100000765329_100000740836 [0,2,0,0,0,0|0,0,2]=4 12733 B11R0.81 C=CCCC(C)OCCOCC 34a_100000765329_100000210147 [0,2,0,0,0,0|0,0,2]=4 12734 B11R0.81 C=CCCC(C)OCCOCC 7a_100000765329_100011215890 [0,2,0,0,0,0|0,0,2]=4 12735 B11R0.81 C=CCCC(C)OCCSCC 34a_100000765329_100000757381 [0,2,0,0,0,0|0,0,2]=4 12736 B11R0.81 C=CCCC(C)OCCSCC 7a_100000765329_100000757381 [0,2,0,0,0,0|0,0,2]=4 12737 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100000210183_100011215482 [0,2,0,0,0,0|1,0,1]=4 12738 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100011215552_100000210211 [0,2,0,0,0,0|1,0,1]=4 12739 B11R0.81 C=CCCCCN(C)CCCC 2230a_100000207549_100011215482 [0,2,0,0,0,0|1,0,1]=4 12740 B11R0.81 C=CCCCCN(C)CCCC 2230a_100012000471_100000210211 [0,2,0,0,0,0|1,0,1]=4 12741 B11R0.81 C=CCCCCN(C)CCCC 269982a_100000207549_100011215482 [0,2,0,0,0,0|1,0,1]=4 12742 B11R0.81 C=CCCCCN(C)CCCC 269982a_100012000471_100000210211 [0,2,0,0,0,0|1,0,1]=4 12743 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000126638_100011713584 [0,2,0,0,0,0|1,0,1]=4 12744 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000700776_200011215066 [0,2,0,0,0,0|1,0,1]=4 12745 B11R0.81 C=CCCCNC(C)CCCC 270004a_100000700776_100000210087 [0,2,0,0,0,0|1,0,1]=4 12746 B11R0.81 C=CCCCNC(C)CCCC 34a_100000700776_200011215066 [0,2,0,0,0,0|1,0,1]=4 12747 B11R0.81 C=CCCCOC(C)CCCC 34a_100000687866_100000757094 [0,2,0,0,0,0|0,0,1]=3 12748 B11R0.81 C=CCCCOC(C)CCCC 34a_100000758997_200011215066 [0,2,0,0,0,0|0,0,1]=3 12749 B11R0.81 C=CCCCOC(C)CCCC 7a_100000687866_100000757094 [0,2,0,0,0,0|0,0,1]=3 12750 B11R0.81 C=CCCCOC(C)CCCC 7a_100000758997_200011215066 [0,2,0,0,0,0|0,0,1]=3 12751 B11R0.81 C=CCCCOC(C)CCCCl 34a_200000718107_100000757094 [0,2,0,0,0,0|0,0,2]=4 12752 B11R0.81 C=CCCCOC(C)CCCCl 7a_200000718107_100000757094 [0,2,0,0,0,0|0,0,2]=4 12753 B11R0.81 C=CCCCOC(C)COCC 34a_100000718985_100000757094 [0,2,0,0,0,0|0,0,2]=4 12754 B11R0.81 C=CCCCOC(C)COCC 7a_100000718985_100000757094 [0,2,0,0,0,0|0,0,2]=4 12755 B11R0.81 C=CCCCSC(C)CCCC 62a_100011713584_200011215066 [0,2,0,0,0,0|0,1,1]=4 12756 B11R0.81 C=CCCCSC(C)CCCC 62a_200011215066_100000757094 [0,2,0,0,0,0|0,1,1]=4 12757 B11R0.81 C=CCCN(C)COCCCC 2230a_100020639649_100011995733 [0,2,0,0,0,0|0,0,2]=4 12758 B11R0.81 C=CCCN(C)COCCCC 269982a_100020639649_100011995733 [0,2,0,0,0,0|0,0,2]=4 12759 B11R0.81 C=CCCOCC(C)CCCC 34a_100011995851_100000754431 [0,2,0,0,0,0|0,0,2]=4 12760 B11R0.81 C=CCCOCC(C)CCCC 7a_100011995851_100000754431 [0,2,0,0,0,0|0,0,2]=4 12761 B11R0.81 C=CCCOC[C@@H](N)CCCC 34a_100011934283_100000754431 [0,2,0,0,0,0|0,0,2]=4 12762 B11R0.81 C=CCCOC[C@@H](N)CCSC 34a_100011827619_100000754431 [0,2,0,0,0,0|0,0,2]=4 12763 B11R0.81 C=CCOC(C)COCCCC 34a_100011217071_100015514636 [0,2,0,0,0,0|0,0,2]=4 12764 B11R0.81 C=CCOC(C)COCCCC 7a_100011217071_100015514636 [0,2,0,0,0,0|0,0,2]=4 12765 B11R0.81 C=COCCOC(C)CCCC 34a_100000033082_200011215066 [0,2,0,0,0,0|0,0,2]=4 12766 B11R0.81 C=COCCOC(C)CCCC 34a_100000687866_100000039644 [0,2,0,0,0,0|0,0,2]=4 12767 B11R0.81 C=COCCOC(C)CCCC 7a_100000687866_100000039644 [0,2,0,0,0,0|0,0,2]=4 12768 B11R0.81 CC#CCC(=O)COCCCC 1458a_100000757543_100000748600 [0,2,0,0,0,0|0,0,2]=4 12769 B11R0.81 CC#CCCOC(C)CCCC 34a_100000750427_200011215066 [0,2,0,0,0,0|0,0,1]=3 12770 B11R0.81 CC#CCOCC(C)CCCC 34a_100011995851_100000748600 [0,2,0,0,0,0|0,0,2]=4 12771 B11R0.81 CC#CCOCC(C)CCCC 7a_100011995851_100000748600 [0,2,0,0,0,0|0,0,2]=4 12772 B11R0.81 CC#CCOC[C@@H](N)CCCC 34a_100011934283_100000748600 [0,2,0,0,0,0|0,0,2]=4 12773 B11R0.81 CC#CCOC[C@@H](N)CCSC 34a_100011827619_100000748600 [0,2,0,0,0,0|0,0,2]=4 12774 B11R0.81 CC(CCCCl)OCCCC#N 7a_200000718107_100000687738 [0,2,0,0,0,0|1,0,1]=4 12775 B11R0.81 CC(CCCCl)OCCCC=O 7a_200000718107_200011292268 [0,2,0,0,0,0|1,0,1]=4 12776 B11R0.81 CC(CCCCl)OCCCCF 34a_200000718107_100000729493 [0,2,0,0,0,0|1,0,0]=3 12777 B11R0.81 CC(CCCCl)OCCCCF 7a_200000718107_100000729493 [0,2,0,0,0,0|1,0,0]=3 12778 B11R0.81 CC(CCCCl)OCCCCO 34a_200000718107_100011216708 [0,2,0,0,0,0|1,0,0]=3 12779 B11R0.81 CC(CCCCl)OCCCCO 7a_200000718107_100000210776 [0,2,0,0,0,0|1,0,0]=3 12780 B11R0.81 CC/C=C\CCC(=O)CCCC 1458a_100000210183_100015370543 [0,2,0,0,0,0|1,0,1]=4 12781 B11R0.81 CC/C=C\CCN(C)CCCC 2230a_100000207549_100015370543 [0,2,0,0,0,0|1,0,1]=4 12782 B11R0.81 CC/C=C\CCN(C)CCCC 269982a_100000207549_100015370543 [0,2,0,0,0,0|1,0,1]=4 12783 B11R0.81 CC/C=C\CNC(C)CCCC 2230a_100000126638_100103147603 [0,2,0,0,0,0|1,0,1]=4 12784 B11R0.81 CC/C=C\COC(C)CCCC 34a_100000687866_100103147603 [0,2,0,0,0,0|0,0,1]=3 12785 B11R0.81 CC/C=C\COC(C)CCCC 34a_100016268518_200011215066 [0,2,0,0,0,0|0,0,1]=3 12786 B11R0.81 CC/C=C\COC(C)CCCC 7a_100000687866_100103147603 [0,2,0,0,0,0|0,0,1]=3 12787 B11R0.81 CC/C=C\COC(C)CCCCl 34a_200000718107_100103147603 [0,2,0,0,0,0|0,0,2]=4 12788 B11R0.81 CC/C=C\COC(C)CCCCl 7a_200000718107_100103147603 [0,2,0,0,0,0|0,0,2]=4 12789 B11R0.81 CC/C=C\COC(C)COCC 34a_100000718985_100103147603 [0,2,0,0,0,0|0,0,2]=4 12790 B11R0.81 CC/C=C\COC(C)COCC 7a_100000718985_100103147603 [0,2,0,0,0,0|0,0,2]=4 12791 B11R0.81 CC/C=C\CSC(C)CCCC 62a_100103147603_200011215066 [0,2,0,0,0,0|0,1,1]=4 12792 B11R0.81 CC/C=C\CSC(C)CCCC 62a_200011215066_100103147603 [0,2,0,0,0,0|0,1,1]=4 12793 B11R0.81 CC=CCC(=O)COCCCC 1458a_100000757543_100000070051 [0,2,0,0,0,0|0,0,2]=4 12794 B11R0.81 CC=CCC(=O)COCCCC 1458a_100121576822_100011995733 [0,2,0,0,0,0|0,0,2]=4 12795 B11R0.81 CC=CCOCC(C)CCCC 34a_100011995851_100000070051 [0,2,0,0,0,0|0,0,2]=4 12796 B11R0.81 CC=CCOCC(C)CCCC 7a_100011995851_100000070051 [0,2,0,0,0,0|0,0,2]=4 12797 B11R0.81 CC=CCOC[C@@H](N)CCCC 34a_100011934283_100000070051 [0,2,0,0,0,0|0,0,2]=4 12798 B11R0.81 CC=CCOC[C@@H](N)CCSC 34a_100011827619_100000070051 [0,2,0,0,0,0|0,0,2]=4 12799 B11R0.81 CCC#CC(=O)COCCCC 1458a_100011827653_100011995733 [0,2,0,0,0,0|0,0,2]=4 12800 B11R0.81 CCC#CC(C)OCCCCC 34a_100000033903_100000718602 [0,2,0,0,0,0|0,0,1]=3 12801 B11R0.81 CCC#CC(C)OCCCCC 7a_100000033903_100000210326 [0,2,0,0,0,0|0,0,1]=3 12802 B11R0.81 CCC#CC(C)OCCCCF 34a_100000033903_100000729493 [0,2,0,0,0,0|0,0,2]=4 12803 B11R0.81 CCC#CC(C)OCCCCF 7a_100000033903_100000729493 [0,2,0,0,0,0|0,0,2]=4 12804 B11R0.81 CCC#CC(C)OCCCCO 34a_100000033903_100011216708 [0,2,0,0,0,0|0,0,2]=4 12805 B11R0.81 CCC#CC(C)OCCCCO 7a_100000033903_100000210776 [0,2,0,0,0,0|0,0,2]=4 12806 B11R0.81 CCC#CC(C)OCCCOC 34a_100000033903_100000740836 [0,2,0,0,0,0|0,0,2]=4 12807 B11R0.81 CCC#CC(C)OCCCOC 7a_100000033903_100000740836 [0,2,0,0,0,0|0,0,2]=4 12808 B11R0.81 CCC#CC(C)OCCOCC 34a_100000033903_100000210147 [0,2,0,0,0,0|0,0,2]=4 12809 B11R0.81 CCC#CC(C)OCCOCC 7a_100000033903_100011215890 [0,2,0,0,0,0|0,0,2]=4 12810 B11R0.81 CCC#CC(C)OCCSCC 34a_100000033903_100000757381 [0,2,0,0,0,0|0,0,2]=4 12811 B11R0.81 CCC#CC(C)OCCSCC 7a_100000033903_100000757381 [0,2,0,0,0,0|0,0,2]=4 12812 B11R0.81 CCC#CCNC(C)CCCC 2230a_100000126638_100009813939 [0,2,0,0,0,0|1,0,1]=4 12813 B11R0.81 CCC#CCOC(C)CCCC 34a_100000032950_200011215066 [0,2,0,0,0,0|0,0,1]=3 12814 B11R0.81 CCC#CCOC(C)CCCC 34a_100000687866_100009813939 [0,2,0,0,0,0|0,0,1]=3 12815 B11R0.81 CCC#CCOC(C)CCCC 7a_100000687866_100009813939 [0,2,0,0,0,0|0,0,1]=3 12816 B11R0.81 CCC#CCOC(C)CCCCl 34a_200000718107_100009813939 [0,2,0,0,0,0|0,0,2]=4 12817 B11R0.81 CCC#CCOC(C)CCCCl 7a_200000718107_100009813939 [0,2,0,0,0,0|0,0,2]=4 12818 B11R0.81 CCC#CCOC(C)COCC 34a_100000718985_100009813939 [0,2,0,0,0,0|0,0,2]=4 12819 B11R0.81 CCC#CCOC(C)COCC 7a_100000718985_100009813939 [0,2,0,0,0,0|0,0,2]=4 12820 B11R0.81 CCC#CCSC(C)CCCC 62a_100009813939_200011215066 [0,2,0,0,0,0|0,1,1]=4 12821 B11R0.81 CCC#CCSC(C)CCCC 62a_200011215066_100009813939 [0,2,0,0,0,0|0,1,1]=4 12822 B11R0.81 CCC/C=C/CC(=O)CCCC 1458a_200016266809_100000210211 [0,2,0,0,0,0|1,0,1]=4 12823 B11R0.81 CCC=CC(=O)COCCCC 1458a_100000212282_100011995733 [0,2,0,0,0,0|0,0,2]=4 12824 B11R0.81 CCCCC(=O)CCCCC#N 1458a_100000210183_100000211819 [0,2,0,0,0,0|1,0,1]=4 12825 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [0,2,0,0,0,0|1,0,0]=3 12826 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [0,2,0,0,0,0|1,0,0]=3 12827 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [0,2,0,0,0,0|1,0,0]=3 12828 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [0,2,0,0,0,0|1,0,0]=3 12829 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [0,2,0,0,0,0|1,0,0]=3 12830 B11R0.81 CCCCC(=O)CCOCCC 1458a_100000210183_100011215938 [0,2,0,0,0,0|1,0,0]=3 12831 B11R0.81 CCCCC(=O)CCOCCO 1458a_100000210183_100011215305 [0,2,0,0,0,0|2,0,0]=4 12832 B11R0.81 CCCCC(=O)CCOCCO 1458a_100011229844_100000210211 [0,2,0,0,0,0|2,0,0]=4 12833 B11R0.81 CCCCC(=O)COCCOC 1458a_100000211095_100000210211 [0,2,0,0,0,0|1,0,0]=3 12834 B11R0.81 CCCCC(=O)NCCCCO 240690a_100000750430_100000210183 [0,2,0,0,0,0|1,0,1]=4 12835 B11R0.81 CCCCC(=O)NCCCCO 527a_100000750430_100000210183 [0,2,0,0,0,0|1,0,1]=4 12836 B11R0.81 CCCCC(=O)NCCCOC 1626a_100150723488_100000210183 [0,2,0,0,0,0|1,0,1]=4 12837 B11R0.81 CCCCC(=O)NCCCOC 240690a_100150723488_100000210183 [0,2,0,0,0,0|1,0,1]=4 12838 B11R0.81 CCCCC(=O)NCCCOC 527a_100150723488_100000210183 [0,2,0,0,0,0|1,0,1]=4 12839 B11R0.81 CCCCC(=O)NCCCSC 11a_100000749238_100000210183 [0,2,0,0,0,0|1,0,1]=4 12840 B11R0.81 CCCCC(=O)NCCCSC 1626a_100000749238_100000210183 [0,2,0,0,0,0|1,0,1]=4 12841 B11R0.81 CCCCC(=O)NCCCSC 240690a_100000749238_100000210183 [0,2,0,0,0,0|1,0,1]=4 12842 B11R0.81 CCCCC(=O)NCCCSC 527a_100000749238_100000210183 [0,2,0,0,0,0|1,0,1]=4 12843 B11R0.81 CCCCC(=O)NCCOCC 11a_100011200944_100000210183 [0,2,0,0,0,0|1,0,1]=4 12844 B11R0.81 CCCCC(=O)NCCOCC 1626a_102516460346_100000210183 [0,2,0,0,0,0|1,0,1]=4 12845 B11R0.81 CCCCC(=O)NCCOCC 240690a_100011200944_100000210183 [0,2,0,0,0,0|1,0,1]=4 12846 B11R0.81 CCCCC(=O)NCCOCC 527a_100011200944_100000210183 [0,2,0,0,0,0|1,0,1]=4 12847 B11R0.81 CCCCC(=O)NCCSCC 11a_100000106463_100000210183 [0,2,0,0,0,0|1,0,1]=4 12848 B11R0.81 CCCCC(=O)NCCSCC 1626a_100000106463_100000210183 [0,2,0,0,0,0|1,0,1]=4 12849 B11R0.81 CCCCC(=O)NCCSCC 240690a_100000106463_100000210183 [0,2,0,0,0,0|1,0,1]=4 12850 B11R0.81 CCCCC(=O)NCCSCC 527a_100000106463_100000210183 [0,2,0,0,0,0|1,0,1]=4 12851 B11R0.81 CCCCC(C)CCCCOC 34a_200011021034_200000210301 [0,2,0,0,0,0|1,0,0]=3 12852 B11R0.81 CCCCC(C)CCCCOC 7a_200011021034_200000210301 [0,2,0,0,0,0|1,0,0]=3 12853 B11R0.81 CCCCC(C)CCCCO[13CH3] 34a_200011021034_200025704644 [0,2,0,0,0,0|1,0,0]=3 12854 B11R0.81 CCCCC(C)CCCCO[13CH3] 7a_200011021034_200025704644 [0,2,0,0,0,0|1,0,0]=3 12855 B11R0.81 CCCCC(C)COCCC#N 7a_100011995851_100000184422 [0,2,0,0,0,0|1,0,1]=4 12856 B11R0.81 CCCCC(C)COCCCF 34a_100011995851_100011934791 [0,2,0,0,0,0|1,0,0]=3 12857 B11R0.81 CCCCC(C)COCCCF 7a_100011995851_100011934791 [0,2,0,0,0,0|1,0,0]=3 12858 B11R0.81 CCCCC(C)COCCCO 34a_100011995851_100000230001 [0,2,0,0,0,0|1,0,0]=3 12859 B11R0.81 CCCCC(C)COCCCO 7a_100011995851_100011215043 [0,2,0,0,0,0|1,0,0]=3 12860 B11R0.81 CCCCC(C)COCCOC 34a_100011995851_100011201679 [0,2,0,0,0,0|1,0,0]=3 12861 B11R0.81 CCCCC(C)COCCOC 7a_100011995851_100000233755 [0,2,0,0,0,0|1,0,0]=3 12862 B11R0.81 CCCCC(C)COCCSC 34a_100011995851_100000212216 [0,2,0,0,0,0|1,0,0]=3 12863 B11R0.81 CCCCC(C)COCCSC 7a_100011995851_100000212216 [0,2,0,0,0,0|1,0,0]=3 12864 B11R0.81 CCCCC(C)NCCCC#N 2230a_100000126638_100000687738 [0,2,0,0,0,0|1,0,1]=4 12865 B11R0.81 CCCCC(C)NCCCC=O 2230a_100000126638_200011292268 [0,2,0,0,0,0|1,0,1]=4 12866 B11R0.81 CCCCC(C)NCCCCF 2230a_100000126638_100000729493 [0,2,0,0,0,0|1,0,0]=3 12867 B11R0.81 CCCCC(C)NCCCCO 2230a_100000126638_100000210776 [0,2,0,0,0,0|1,0,0]=3 12868 B11R0.81 CCCCC(C)NCCCCO 2230a_100000750430_200011215066 [0,2,0,0,0,0|1,0,0]=3 12869 B11R0.81 CCCCC(C)NCCCCO 270004a_100000750430_100000210087 [0,2,0,0,0,0|1,0,0]=3 12870 B11R0.81 CCCCC(C)NCCCCO 34a_100000750430_200011215066 [0,2,0,0,0,0|1,0,0]=3 12871 B11R0.81 CCCCC(C)NCCCOC 2230a_100000126638_100000740836 [0,2,0,0,0,0|1,0,0]=3 12872 B11R0.81 CCCCC(C)NCCCOC 270004a_100150723488_100000210087 [0,2,0,0,0,0|1,0,0]=3 12873 B11R0.81 CCCCC(C)NCCCOC 34a_100150723488_200011215066 [0,2,0,0,0,0|1,0,0]=3 12874 B11R0.81 CCCCC(C)NCCCSC 2230a_100000749238_200011215066 [0,2,0,0,0,0|1,0,0]=3 12875 B11R0.81 CCCCC(C)NCCCSC 270004a_100000749238_100000210087 [0,2,0,0,0,0|1,0,0]=3 12876 B11R0.81 CCCCC(C)NCCOCC 2230a_100000126638_100011215890 [0,2,0,0,0,0|1,0,0]=3 12877 B11R0.81 CCCCC(C)NCCOCC 2230a_102516460346_200011215066 [0,2,0,0,0,0|1,0,0]=3 12878 B11R0.81 CCCCC(C)NCCOCC 270004a_102516460346_100000210087 [0,2,0,0,0,0|1,0,0]=3 12879 B11R0.81 CCCCC(C)NCCOCC 34a_102516460346_200011215066 [0,2,0,0,0,0|1,0,0]=3 12880 B11R0.81 CCCCC(C)NCCSCC 2230a_100000106463_200011215066 [0,2,0,0,0,0|1,0,0]=3 12881 B11R0.81 CCCCC(C)NCCSCC 2230a_100000126638_100000757381 [0,2,0,0,0,0|1,0,0]=3 12882 B11R0.81 CCCCC(C)NCCSCC 270004a_100000106463_100000210087 [0,2,0,0,0,0|1,0,0]=3 12883 B11R0.81 CCCCC(C)OCC#CCCl 34a_200000047223_200011215066 [0,2,0,0,0,0|0,0,2]=4 12884 B11R0.81 CCCCC(C)OCC#CCO 34a_100000687866_200000047223 [0,2,0,0,0,0|0,0,2]=4 12885 B11R0.81 CCCCC(C)OCC#CCO 7a_100000687866_200000047223 [0,2,0,0,0,0|0,0,2]=4 12886 B11R0.81 CCCCC(C)OCCCC#N 7a_100000687866_100000687738 [0,2,0,0,0,0|0,0,1]=3 12887 B11R0.81 CCCCC(C)OCCCC=O 7a_100000687866_200011292268 [0,2,0,0,0,0|0,0,1]=3 12888 B11R0.81 CCCCC(C)OCCCCBr 34a_100011216708_200011215066 [0,2,0,0,0,0|0,0,0]=2 12889 B11R0.81 CCCCC(C)OCCCCCl 34a_100000210776_200011215066 [0,2,0,0,0,0|0,0,0]=2 12890 B11R0.81 CCCCC(C)OCCCCCl 7a_100000210776_200011215066 [0,2,0,0,0,0|0,0,0]=2 12891 B11R0.81 CCCCC(C)OCCCCF 34a_100000687866_100000729493 [0,2,0,0,0,0|0,0,0]=2 12892 B11R0.81 CCCCC(C)OCCCCF 34a_100011995726_200011215066 [0,2,0,0,0,0|0,0,0]=2 12893 B11R0.81 CCCCC(C)OCCCCF 7a_100000687866_100000729493 [0,2,0,0,0,0|0,0,0]=2 12894 B11R0.81 CCCCC(C)OCCCCF 7a_100011995726_200011215066 [0,2,0,0,0,0|0,0,0]=2 12895 B11R0.81 CCCCC(C)OCCCCI 34a_200012148704_200011215066 [0,2,0,0,0,0|0,0,0]=2 12896 B11R0.81 CCCCC(C)OCCCCN 34a_100000750430_200011215066 [0,2,0,0,0,0|0,0,0]=2 12897 B11R0.81 CCCCC(C)OCCCCO 34a_100000687866_100011216708 [0,2,0,0,0,0|0,0,0]=2 12898 B11R0.81 CCCCC(C)OCCCCO 7a_100000687866_100000210776 [0,2,0,0,0,0|0,0,0]=2 12899 B11R0.81 CCCCC(C)OCCCNC 34a_100000213112_200011215066 [0,2,0,0,0,0|0,0,0]=2 12900 B11R0.81 CCCCC(C)OCCCOC 34a_100000687866_100000740836 [0,2,0,0,0,0|0,0,0]=2 12901 B11R0.81 CCCCC(C)OCCCOC 34a_100000740835_200011215066 [0,2,0,0,0,0|0,0,0]=2 12902 B11R0.81 CCCCC(C)OCCCOC 7a_100000687866_100000740836 [0,2,0,0,0,0|0,0,0]=2 12903 B11R0.81 CCCCC(C)OCCCSC 34a_100000690336_200011215066 [0,2,0,0,0,0|0,0,0]=2 12904 B11R0.81 CCCCC(C)OCCCSC 7a_100000690336_200011215066 [0,2,0,0,0,0|0,0,0]=2 12905 B11R0.81 CCCCC(C)OCCOCC 34a_100000210136_200011215066 [0,2,0,0,0,0|0,0,0]=2 12906 B11R0.81 CCCCC(C)OCCOCC 34a_100000687866_100000210147 [0,2,0,0,0,0|0,0,0]=2 12907 B11R0.81 CCCCC(C)OCCOCC 7a_100000210136_200011215066 [0,2,0,0,0,0|0,0,0]=2 12908 B11R0.81 CCCCC(C)OCCOCC 7a_100000687866_100011215890 [0,2,0,0,0,0|0,0,0]=2 12909 B11R0.81 CCCCC(C)OCCSCC 34a_100000212035_200011215066 [0,2,0,0,0,0|0,0,0]=2 12910 B11R0.81 CCCCC(C)OCCSCC 34a_100000687866_100000757381 [0,2,0,0,0,0|0,0,0]=2 12911 B11R0.81 CCCCC(C)OCCSCC 7a_100000212035_200011215066 [0,2,0,0,0,0|0,0,0]=2 12912 B11R0.81 CCCCC(C)OCCSCC 7a_100000687866_100000757381 [0,2,0,0,0,0|0,0,0]=2 12913 B11R0.81 CCCCC(C)SCCCC#N 62a_100000687738_200011215066 [0,2,0,0,0,0|0,1,1]=4 12914 B11R0.81 CCCCC(C)SCCCC#N 62a_200011215066_100000687738 [0,2,0,0,0,0|0,1,1]=4 12915 B11R0.81 CCCCC(C)SCCCC=O 62a_200011215066_200011292268 [0,2,0,0,0,0|0,1,1]=4 12916 B11R0.81 CCCCC(C)SCCCC=O 62a_200011292268_200011215066 [0,2,0,0,0,0|0,1,1]=4 12917 B11R0.81 CCCCC(C)SCCCCF 62a_100000729493_200011215066 [0,2,0,0,0,0|0,1,0]=3 12918 B11R0.81 CCCCC(C)SCCCCF 62a_200011215066_100000729493 [0,2,0,0,0,0|0,1,0]=3 12919 B11R0.81 CCCCC(C)SCCCCO 62a_100000210776_200011215066 [0,2,0,0,0,0|0,1,0]=3 12920 B11R0.81 CCCCC(C)SCCCCO 62a_200011215066_100000210776 [0,2,0,0,0,0|0,1,0]=3 12921 B11R0.81 CCCCC(C)SCCCOC 62a_100000709357_200011215066 [0,2,0,0,0,0|0,1,0]=3 12922 B11R0.81 CCCCC(C)SCCCOC 62a_200011215066_100000709357 [0,2,0,0,0,0|0,1,0]=3 12923 B11R0.81 CCCCC(C)SCCOCC 62a_100000210147_200011215066 [0,2,0,0,0,0|0,1,0]=3 12924 B11R0.81 CCCCC(C)SCCOCC 62a_200011215066_100011215890 [0,2,0,0,0,0|0,1,0]=3 12925 B11R0.81 CCCCC(C)SCCSCC 62a_100000757381_200011215066 [0,2,0,0,0,0|0,1,0]=3 12926 B11R0.81 CCCCC(C)SCCSCC 62a_200011215066_100000757381 [0,2,0,0,0,0|0,1,0]=3 12927 B11R0.81 CCCCC=CC(=O)CCCC 1458a_100016266645_100000210211 [0,2,0,0,0,0|1,0,1]=4 12928 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [0,2,0,0,0,0|1,0,0]=3 12929 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [0,2,0,0,0,0|1,0,0]=3 12930 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [0,2,0,0,0,0|1,0,1]=4 12931 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [0,2,0,0,0,0|1,0,1]=4 12932 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [0,2,0,0,0,0|1,0,1]=4 12933 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [0,2,0,0,0,0|1,0,1]=4 12934 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [0,2,0,0,0,0|1,0,1]=4 12935 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [0,2,0,0,0,0|1,0,1]=4 12936 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [0,2,0,0,0,0|1,0,1]=4 12937 B11R0.81 CCCCCCC(=O)CSCC 1458a_100000230394_100000210757 [0,2,0,0,0,0|1,0,1]=4 12938 B11R0.81 CCCCCCC(=O)NCCC 11a_100020643023_100102632555 [0,2,0,0,0,0|1,0,1]=4 12939 B11R0.81 CCCCCCC(=O)NCCC 1626a_100020643023_100102632555 [0,2,0,0,0,0|1,0,1]=4 12940 B11R0.81 CCCCCCC(=O)NCCC 240690a_100020643023_100102632555 [0,2,0,0,0,0|1,0,1]=4 12941 B11R0.81 CCCCCCC(=O)NCCC 527a_100020643023_100102632555 [0,2,0,0,0,0|1,0,1]=4 12942 B11R0.81 CCCCCCC(C)CCOC 34a_200011024964_200000210301 [0,2,0,0,0,0|1,0,0]=3 12943 B11R0.81 CCCCCCC(C)CCOC 7a_200011024964_200000210301 [0,2,0,0,0,0|1,0,0]=3 12944 B11R0.81 CCCCCCC(C)CCO[13CH3] 34a_200011024964_200025704644 [0,2,0,0,0,0|1,0,0]=3 12945 B11R0.81 CCCCCCC(C)CCO[13CH3] 7a_200011024964_200025704644 [0,2,0,0,0,0|1,0,0]=3 12946 B11R0.81 CCCCCCC(C)NCCC 2230a_100000210919_100000210303 [0,2,0,0,0,0|1,0,0]=3 12947 B11R0.81 CCCCCCC(C)NCCC 270004a_100020643023_100000210826 [0,2,0,0,0,0|1,0,0]=3 12948 B11R0.81 CCCCCCC(C)NCCC 34a_100000210919_100000210303 [0,2,0,0,0,0|1,0,0]=3 12949 B11R0.81 CCCCCCC(C)NCCF 2230a_100000210919_100011217306 [0,2,0,0,0,0|2,0,0]=4 12950 B11R0.81 CCCCCCC(C)NCCF 34a_100000210919_100011217306 [0,2,0,0,0,0|2,0,0]=4 12951 B11R0.81 CCCCCCC(C)NCCF 34a_100000724931_100011215978 [0,2,0,0,0,0|2,0,0]=4 12952 B11R0.81 CCCCCCC(C)NCCO 2230a_100000210919_100000211926 [0,2,0,0,0,0|2,0,0]=4 12953 B11R0.81 CCCCCCC(C)NCCO 2230a_100016997473_100011215978 [0,2,0,0,0,0|2,0,0]=4 12954 B11R0.81 CCCCCCC(C)NCCO 270004a_100000210304_100000210826 [0,2,0,0,0,0|2,0,0]=4 12955 B11R0.81 CCCCCCC(C)NCCO 34a_100000210919_100000211926 [0,2,0,0,0,0|2,0,0]=4 12956 B11R0.81 CCCCCCC(C)NCCO 34a_100016990907_100011215978 [0,2,0,0,0,0|2,0,0]=4 12957 B11R0.81 CCCCCCC(C)NCOC 2230a_100000210919_100000766300 [0,2,0,0,0,0|2,0,0]=4 12958 B11R0.81 CCCCCCC(C)NCSC 2230a_100000210919_100011218213 [0,2,0,0,0,0|2,0,0]=4 12959 B11R0.81 CCCCCCC(C)NCSC 34a_100000210919_100011218213 [0,2,0,0,0,0|2,0,0]=4 12960 B11R0.81 CCCCCCC(C)OCCBr 34a_100000211926_100011215978 [0,2,0,0,0,0|2,0,0]=4 12961 B11R0.81 CCCCCCC(C)OCCC 34a_100000210258_100011215978 [0,2,0,0,0,0|1,0,0]=3 12962 B11R0.81 CCCCCCC(C)OCCC 34a_100000210265_100000210303 [0,2,0,0,0,0|1,0,0]=3 12963 B11R0.81 CCCCCCC(C)OCCC 7a_100000210265_100000210303 [0,2,0,0,0,0|1,0,0]=3 12964 B11R0.81 CCCCCCC(C)OCCF 34a_100000210265_100011217306 [0,2,0,0,0,0|2,0,0]=4 12965 B11R0.81 CCCCCCC(C)OCCF 7a_100000210265_100011217306 [0,2,0,0,0,0|2,0,0]=4 12966 B11R0.81 CCCCCCC(C)OCCN 34a_100000210304_100011215978 [0,2,0,0,0,0|2,0,0]=4 12967 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [0,2,0,0,0,0|2,0,0]=4 12968 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [0,2,0,0,0,0|2,0,0]=4 12969 B11R0.81 CCCCCCC(C)OCSC 34a_100000210265_100011218213 [0,2,0,0,0,0|2,0,0]=4 12970 B11R0.81 CCCCCCC(C)SCCC 62a_100000210303_100011215978 [0,2,0,0,0,0|1,0,0]=3 12971 B11R0.81 CCCCCCC(C)SCCC 62a_100011215978_100000210303 [0,2,0,0,0,0|1,0,0]=3 12972 B11R0.81 CCCCCCC(C)SCCF 62a_100011215978_100011217306 [0,2,0,0,0,0|2,0,0]=4 12973 B11R0.81 CCCCCCC(C)SCCF 62a_100011217306_100011215978 [0,2,0,0,0,0|2,0,0]=4 12974 B11R0.81 CCCCCCC(C)SCCO 62a_100000211926_100011215978 [0,2,0,0,0,0|2,0,0]=4 12975 B11R0.81 CCCCCCC(C)SCCO 62a_100011215978_100000211926 [0,2,0,0,0,0|2,0,0]=4 12976 B11R0.81 CCCCCCC(C)SCOC 62a_100000766300_100011215978 [0,2,0,0,0,0|2,0,0]=4 12977 B11R0.81 CCCCCCC(C)SCOC 62a_100011215978_100000766300 [0,2,0,0,0,0|2,0,0]=4 12978 B11R0.81 CCCCCCC(C)SCSC 62a_100011215978_100011218213 [0,2,0,0,0,0|2,0,0]=4 12979 B11R0.81 CCCCCCC(C)SCSC 62a_100011218213_100011215978 [0,2,0,0,0,0|2,0,0]=4 12980 B11R0.81 CCCCCCN(C)CCCC 2230a_100000207549_100000210314 [0,2,0,0,0,0|1,0,0]=3 12981 B11R0.81 CCCCCCN(C)CCCC 2230a_106256046315_100000210211 [0,2,0,0,0,0|1,0,0]=3 12982 B11R0.81 CCCCCCN(C)CCCC 2230a_200000207677_200000210301 [0,2,0,0,0,0|1,0,0]=3 12983 B11R0.81 CCCCCCN(C)CCCC 269982a_100000207549_100000210757 [0,2,0,0,0,0|1,0,0]=3 12984 B11R0.81 CCCCCCN(C)CCCC 269982a_106256046315_100000210211 [0,2,0,0,0,0|1,0,0]=3 12985 B11R0.81 CCCCCCN(C)CCCC 269982a_200000207677_200000210301 [0,2,0,0,0,0|1,0,0]=3 12986 B11R0.81 CCCCCCN(C)CCCF 2230a_106256046315_100011934791 [0,2,0,0,0,0|2,0,0]=4 12987 B11R0.81 CCCCCCN(C)CCCF 269982a_106256046315_100011934791 [0,2,0,0,0,0|2,0,0]=4 12988 B11R0.81 CCCCCCN(C)CCCO 2230a_100000213112_100000210314 [0,2,0,0,0,0|2,0,0]=4 12989 B11R0.81 CCCCCCN(C)CCCO 2230a_106256046315_100000230001 [0,2,0,0,0,0|2,0,0]=4 12990 B11R0.81 CCCCCCN(C)CCCO 269982a_100000213112_100000210757 [0,2,0,0,0,0|2,0,0]=4 12991 B11R0.81 CCCCCCN(C)CCCO 269982a_106256046315_100011215043 [0,2,0,0,0,0|2,0,0]=4 12992 B11R0.81 CCCCCCN(C)CCOC 2230a_100000743101_100000210314 [0,2,0,0,0,0|2,0,0]=4 12993 B11R0.81 CCCCCCN(C)CCOC 2230a_106256046315_100011201679 [0,2,0,0,0,0|2,0,0]=4 12994 B11R0.81 CCCCCCN(C)CCOC 269982a_100000743101_100000210757 [0,2,0,0,0,0|2,0,0]=4 12995 B11R0.81 CCCCCCN(C)CCOC 269982a_106256046315_100000233755 [0,2,0,0,0,0|2,0,0]=4 12996 B11R0.81 CCCCCCN(C)CCSC 2230a_100000686725_100000210314 [0,2,0,0,0,0|2,0,0]=4 12997 B11R0.81 CCCCCCN(C)CCSC 2230a_106256046315_100000751147 [0,2,0,0,0,0|2,0,0]=4 12998 B11R0.81 CCCCCCN(C)CCSC 269982a_100000686725_100000210757 [0,2,0,0,0,0|2,0,0]=4 12999 B11R0.81 CCCCCCN(C)CCSC 269982a_106256046315_100000212216 [0,2,0,0,0,0|2,0,0]=4 13000 B11R0.81 CCCCCCN(C)COCC 269982a_106256046315_100000739092 [0,2,0,0,0,0|2,0,0]=4 13001 B11R0.81 CCCCCCN([13CH3])CCCC 2230a_200000207677_200025704644 [0,2,0,0,0,0|1,0,0]=3 13002 B11R0.81 CCCCCCN([13CH3])CCCC 269982a_200000207677_200025704644 [0,2,0,0,0,0|1,0,0]=3 13003 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [0,2,0,0,0,0|1,0,0]=3 13004 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [0,2,0,0,0,0|1,0,0]=3 13005 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [0,2,0,0,0,0|1,0,0]=3 13006 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [0,2,0,0,0,0|1,0,0]=3 13007 B11R0.81 CCCCCNC(=O)CCOC 11a_100000209983_100000749529 [0,2,0,0,0,0|1,0,1]=4 13008 B11R0.81 CCCCCNC(=O)CCOC 1626a_100000209983_100000749529 [0,2,0,0,0,0|1,0,1]=4 13009 B11R0.81 CCCCCNC(=O)CCOC 240690a_100000209983_100000749529 [0,2,0,0,0,0|1,0,1]=4 13010 B11R0.81 CCCCCNC(=O)CCOC 527a_100000209983_100000749529 [0,2,0,0,0,0|1,0,1]=4 13011 B11R0.81 CCCCCNC(=O)CCSC 11a_100000209983_100000174002 [0,2,0,0,0,0|1,0,1]=4 13012 B11R0.81 CCCCCNC(=O)CCSC 1626a_100000209983_100000174002 [0,2,0,0,0,0|1,0,1]=4 13013 B11R0.81 CCCCCNC(=O)CCSC 240690a_100000209983_100000174002 [0,2,0,0,0,0|1,0,1]=4 13014 B11R0.81 CCCCCNC(=O)CCSC 527a_100000209983_100000174002 [0,2,0,0,0,0|1,0,1]=4 13015 B11R0.81 CCCCCNC(=O)CNCC 2230a_100015525214_100000230301 [0,2,0,0,0,0|1,0,1]=4 13016 B11R0.81 CCCCCNC(=O)COCC 11a_100000209983_100000211967 [0,2,0,0,0,0|1,0,1]=4 13017 B11R0.81 CCCCCNC(=O)COCC 1626a_100000209983_100000211967 [0,2,0,0,0,0|1,0,1]=4 13018 B11R0.81 CCCCCNC(=O)COCC 240690a_100000209983_100000211967 [0,2,0,0,0,0|1,0,1]=4 13019 B11R0.81 CCCCCNC(=O)COCC 34a_100121572206_100000230301 [0,2,0,0,0,0|1,0,1]=4 13020 B11R0.81 CCCCCNC(=O)COCC 527a_100000209983_100000211967 [0,2,0,0,0,0|1,0,1]=4 13021 B11R0.81 CCCCCNC(=O)CSCC 11a_100000209983_100000230394 [0,2,0,0,0,0|1,0,1]=4 13022 B11R0.81 CCCCCNC(=O)CSCC 1626a_100000209983_100000230394 [0,2,0,0,0,0|1,0,1]=4 13023 B11R0.81 CCCCCNC(=O)CSCC 240690a_100000209983_100000230394 [0,2,0,0,0,0|1,0,1]=4 13024 B11R0.81 CCCCCNC(=O)CSCC 527a_100000209983_100000230394 [0,2,0,0,0,0|1,0,1]=4 13025 B11R0.81 CCCCCNC(=O)CSCC 62a_100000210202_100000230301 [0,2,0,0,0,0|1,0,1]=4 13026 B11R0.81 CCCCCNC(=O)CSCC 62a_100000230301_100000210202 [0,2,0,0,0,0|1,0,1]=4 13027 B11R0.81 CCCCCNC(=O)NCCC 2708a_100000209983_100020643023 [0,2,0,0,0,0|1,0,1]=4 13028 B11R0.81 CCCCCNC(=O)NCCC 2708a_100020643023_100000209983 [0,2,0,0,0,0|1,0,1]=4 13029 B11R0.81 CCCCCNC(=O)NCCC 273464a_100000209983_100020643023 [0,2,0,0,0,0|1,0,1]=4 13030 B11R0.81 CCCCCNC(=O)NCCC 273464a_100020643023_100000209983 [0,2,0,0,0,0|1,0,1]=4 13031 B11R0.81 CCCCCNC(=O)NCCC 512a_100000209983_100020643023 [0,2,0,0,0,0|1,0,1]=4 13032 B11R0.81 CCCCCNC(=O)NCCC 512a_100020643023_100000209983 [0,2,0,0,0,0|1,0,1]=4 13033 B11R0.81 CCCCCNC(C)CCCC 2230a_100000126638_100000210326 [0,2,0,0,0,0|1,0,0]=3 13034 B11R0.81 CCCCCNC(C)CCCC 2230a_100000209983_200011215066 [0,2,0,0,0,0|1,0,0]=3 13035 B11R0.81 CCCCCNC(C)CCCC 270004a_100000209983_100000210087 [0,2,0,0,0,0|1,0,0]=3 13036 B11R0.81 CCCCCNC(C)CCOC 270004a_100000209983_100000742357 [0,2,0,0,0,0|1,0,0]=3 13037 B11R0.81 CCCCCNC(C)CCSC 270004a_100000209983_100011217047 [0,2,0,0,0,0|1,0,0]=3 13038 B11R0.81 CCCCCNC(C)CSCC 270004a_100000209983_200011216171 [0,2,0,0,0,0|1,0,0]=3 13039 B11R0.81 CCCCCOC(C)CCCC 34a_100000210253_200011215066 [0,2,0,0,0,0|0,0,0]=2 13040 B11R0.81 CCCCCOC(C)CCCC 34a_100000687866_100000718602 [0,2,0,0,0,0|0,0,0]=2 13041 B11R0.81 CCCCCOC(C)CCCC 7a_100000210253_200011215066 [0,2,0,0,0,0|0,0,0]=2 13042 B11R0.81 CCCCCOC(C)CCCC 7a_100000687866_100000210326 [0,2,0,0,0,0|0,0,0]=2 13043 B11R0.81 CCCCCOC(C)CCCCl 34a_200000718107_100000718602 [0,2,0,0,0,0|0,0,0]=2 13044 B11R0.81 CCCCCOC(C)CCCCl 7a_200000718107_100000210326 [0,2,0,0,0,0|0,0,0]=2 13045 B11R0.81 CCCCCOC(C)COCC 34a_100000718985_100000718602 [0,2,0,0,0,0|0,0,0]=2 13046 B11R0.81 CCCCCOC(C)COCC 7a_100000718985_100000210326 [0,2,0,0,0,0|0,0,0]=2 13047 B11R0.81 CCCCCSC(C)CCCC 62a_100000210326_200011215066 [0,2,0,0,0,0|0,1,0]=3 13048 B11R0.81 CCCCCSC(C)CCCC 62a_200011215066_100000210326 [0,2,0,0,0,0|0,1,0]=3 13049 B11R0.81 CCCCN(C)CCCCC#N 2230a_100000207549_100000211819 [0,2,0,0,0,0|1,0,1]=4 13050 B11R0.81 CCCCN(C)CCCCC#N 269982a_100000207549_100011219923 [0,2,0,0,0,0|1,0,1]=4 13051 B11R0.81 CCCCN(C)CCCCC=O 2230a_100000207549_100000139335 [0,2,0,0,0,0|1,0,1]=4 13052 B11R0.81 CCCCN(C)CCCCC=O 269982a_100000207549_100000139335 [0,2,0,0,0,0|1,0,1]=4 13053 B11R0.81 CCCCN(C)CCCCCF 2230a_100000207549_100000729378 [0,2,0,0,0,0|1,0,0]=3 13054 B11R0.81 CCCCN(C)CCCCCF 269982a_100000207549_100000729378 [0,2,0,0,0,0|1,0,0]=3 13055 B11R0.81 CCCCN(C)CCCCCO 2230a_100000207549_100000746330 [0,2,0,0,0,0|1,0,0]=3 13056 B11R0.81 CCCCN(C)CCCCCO 2230a_100000722520_100000210211 [0,2,0,0,0,0|1,0,0]=3 13057 B11R0.81 CCCCN(C)CCCCCO 269982a_100000207549_100000746330 [0,2,0,0,0,0|1,0,0]=3 13058 B11R0.81 CCCCN(C)CCCCCO 269982a_100000722520_100000210211 [0,2,0,0,0,0|1,0,0]=3 13059 B11R0.81 CCCCN(C)CCCCOC 2230a_100000207549_100000730899 [0,2,0,0,0,0|1,0,0]=3 13060 B11R0.81 CCCCN(C)CCCCOC 269982a_100000207549_100000730899 [0,2,0,0,0,0|1,0,0]=3 13061 B11R0.81 CCCCN(C)CCCOCC 2230a_100000207549_100012232248 [0,2,0,0,0,0|1,0,0]=3 13062 B11R0.81 CCCCN(C)CCCOCC 269982a_100000207549_100012232248 [0,2,0,0,0,0|1,0,0]=3 13063 B11R0.81 CCCCN(C)CCOCCC 2230a_100000207549_100011215938 [0,2,0,0,0,0|1,0,0]=3 13064 B11R0.81 CCCCN(C)CCOCCC 269982a_100000207549_100011215938 [0,2,0,0,0,0|1,0,0]=3 13065 B11R0.81 CCCCN(C)CCOCCO 2230a_100000207549_100011215305 [0,2,0,0,0,0|2,0,0]=4 13066 B11R0.81 CCCCN(C)CCOCCO 2230a_100000228057_100000210211 [0,2,0,0,0,0|2,0,0]=4 13067 B11R0.81 CCCCN(C)CCOCCO 269982a_100000207549_100011215305 [0,2,0,0,0,0|2,0,0]=4 13068 B11R0.81 CCCCN(C)CCOCCO 269982a_100000228057_100000210211 [0,2,0,0,0,0|2,0,0]=4 13069 B11R0.81 CCCCN(C)COCCOC 2230a_100000207549_100000231047 [0,2,0,0,0,0|1,0,0]=3 13070 B11R0.81 CCCCN(C)COCCOC 269982a_100000207549_100000231047 [0,2,0,0,0,0|1,0,0]=3 13071 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000102301_100000183358 [0,2,0,0,0,0|1,0,1]=4 13072 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000174927_100000210211 [0,2,0,0,0,0|1,0,1]=4 13073 B11R0.81 CCCCNCC(=O)NCCC 7a_106832991798_100000183358 [0,2,0,0,0,0|1,0,1]=4 13074 B11R0.81 CCCCNCC(=O)OCCC 2230a_100000102301_200011215008 [0,2,0,0,0,0|1,0,1]=4 13075 B11R0.81 CCCCNCC(=O)OCCC 7a_106832991798_200011215008 [0,2,0,0,0,0|1,0,1]=4 13076 B11R0.81 CCCCNCC(C)OCCC 2230a_100015185124_100000210211 [0,2,0,0,0,0|1,0,0]=3 13077 B11R0.81 CCCCNCC(C)OCCC 34a_100015185124_100000210210 [0,2,0,0,0,0|1,0,0]=3 13078 B11R0.81 CCCCNCC(O)COCC 2230a_102515437182_100000210211 [0,2,0,0,0,0|1,0,0]=3 13079 B11R0.81 CCCCNCC(O)COCC 34a_102515437182_100000210210 [0,2,0,0,0,0|1,0,0]=3 13080 B11R0.81 CCCCNC[C@H](C)CCCO 2230a_100160569302_100000210211 [0,2,0,0,0,0|1,0,0]=3 13081 B11R0.81 CCCCNC[C@H](C)CCCO 34a_100160569302_100000210210 [0,2,0,0,0,0|1,0,0]=3 13082 B11R0.81 CCCCNN=C(C)CCCC 4a_100025702795_100000210087 [0,2,0,0,0,0|1,0,1]=4 13083 B11R0.81 CCCCNNC(=O)CCCC 22a_100025702795_100000210183 [0,2,0,0,0,0|1,0,1]=4 13084 B11R0.81 CCCCOCC(=O)CCC#N 1458a_100000757543_100011215226 [0,2,0,0,0,0|0,0,2]=4 13085 B11R0.81 CCCCOCC(=O)CCC#N 1458a_100011934036_100011995733 [0,2,0,0,0,0|0,0,2]=4 13086 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000210183_100011995733 [0,2,0,0,0,0|0,0,0]=2 13087 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000757543_100000210211 [0,2,0,0,0,0|0,0,0]=2 13088 B11R0.81 CCCCOCC(=O)CCCF 1458a_100000757543_100011934791 [0,2,0,0,0,0|0,0,1]=3 13089 B11R0.81 CCCCOCC(=O)CCCO 1458a_100000757543_100011215043 [0,2,0,0,0,0|0,0,1]=3 13090 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000749529_100011995733 [0,2,0,0,0,0|0,0,1]=3 13091 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000757543_100000233755 [0,2,0,0,0,0|0,0,1]=3 13092 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000174002_100011995733 [0,2,0,0,0,0|0,0,1]=3 13093 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000757543_100000751147 [0,2,0,0,0,0|0,0,1]=3 13094 B11R0.81 CCCCOCC(=O)COCC 1458a_100000211967_100011995733 [0,2,0,0,0,0|0,0,1]=3 13095 B11R0.81 CCCCOCC(=O)CSCC 1458a_100000230394_100011995733 [0,2,0,0,0,0|0,0,1]=3 13096 B11R0.81 CCCCOCC(=O)NCCC 11a_100020643023_100000757543 [0,2,0,0,0,0|0,0,1]=3 13097 B11R0.81 CCCCOCC(=O)NCCC 1626a_100020643023_100000757543 [0,2,0,0,0,0|0,0,1]=3 13098 B11R0.81 CCCCOCC(=O)NCCC 240690a_100020643023_100000757543 [0,2,0,0,0,0|0,0,1]=3 13099 B11R0.81 CCCCOCC(=O)NCCC 34a_100000210227_100000183358 [0,2,0,0,0,0|0,0,1]=3 13100 B11R0.81 CCCCOCC(=O)NCCC 527a_100020643023_100000757543 [0,2,0,0,0,0|0,0,1]=3 13101 B11R0.81 CCCCOCC(=O)NCCC 7a_100000210227_100000183358 [0,2,0,0,0,0|0,0,1]=3 13102 B11R0.81 CCCCOCC(=O)NCCF 11a_100000724931_100000757543 [0,2,0,0,0,0|1,0,1]=4 13103 B11R0.81 CCCCOCC(=O)NCCF 1626a_100000724931_100000757543 [0,2,0,0,0,0|1,0,1]=4 13104 B11R0.81 CCCCOCC(=O)NCCF 240690a_100000724931_100000757543 [0,2,0,0,0,0|1,0,1]=4 13105 B11R0.81 CCCCOCC(=O)NCCF 527a_100000724931_100000757543 [0,2,0,0,0,0|1,0,1]=4 13106 B11R0.81 CCCCOCC(=O)NCCO 240690a_100000210304_100000757543 [0,2,0,0,0,0|1,0,1]=4 13107 B11R0.81 CCCCOCC(=O)NCCO 527a_100000210304_100000757543 [0,2,0,0,0,0|1,0,1]=4 13108 B11R0.81 CCCCOCC(=O)NNCC 22a_100000756455_100000757543 [0,2,0,0,0,0|1,0,1]=4 13109 B11R0.81 CCCCOCC(=O)OCCC 34a_100000210227_200011215008 [0,2,0,0,0,0|0,0,1]=3 13110 B11R0.81 CCCCOCC(=O)OCCC 7a_100000210227_200011215008 [0,2,0,0,0,0|0,0,1]=3 13111 B11R0.81 CCCCOCC(C)CCCC 34a_100011995851_100000210210 [0,2,0,0,0,0|0,0,0]=2 13112 B11R0.81 CCCCOCC(C)CCCC 7a_100011995851_100000210211 [0,2,0,0,0,0|0,0,0]=2 13113 B11R0.81 CCCCOCC(C)OCC#N 7a_100011217071_100011215382 [0,2,0,0,0,0|1,0,1]=4 13114 B11R0.81 CCCCOCC(C)OCC=O 34a_100011217071_200009817547 [0,2,0,0,0,0|1,0,1]=4 13115 B11R0.81 CCCCOCC(C)OCC=O 7a_100011217071_200015260668 [0,2,0,0,0,0|1,0,1]=4 13116 B11R0.81 CCCCOCC(C)OCCC 34a_100011217071_100000210303 [0,2,0,0,0,0|0,0,0]=2 13117 B11R0.81 CCCCOCC(C)OCCC 7a_100011217071_100000210303 [0,2,0,0,0,0|0,0,0]=2 13118 B11R0.81 CCCCOCC(C)OCCF 34a_100011217071_100011217306 [0,2,0,0,0,0|1,0,0]=3 13119 B11R0.81 CCCCOCC(C)OCCF 7a_100011217071_100011217306 [0,2,0,0,0,0|1,0,0]=3 13120 B11R0.81 CCCCOCC(C)OCCO 34a_100011217071_100000211926 [0,2,0,0,0,0|1,0,0]=3 13121 B11R0.81 CCCCOCC(C)OCCO 7a_100011217071_100000211926 [0,2,0,0,0,0|1,0,0]=3 13122 B11R0.81 CCCCOCC(C)OCSC 34a_100011217071_100011218213 [0,2,0,0,0,0|1,0,0]=3 13123 B11R0.81 CCCCOCN(C)CCC#N 2230a_100000184479_100011995733 [0,2,0,0,0,0|1,0,1]=4 13124 B11R0.81 CCCCOCN(C)CCCC 2230a_100000207549_100011995733 [0,2,0,0,0,0|0,0,0]=2 13125 B11R0.81 CCCCOCN(C)CCCC 269982a_100000207549_100011995733 [0,2,0,0,0,0|0,0,0]=2 13126 B11R0.81 CCCCOCN(C)CCCO 2230a_100000213112_100011995733 [0,2,0,0,0,0|1,0,0]=3 13127 B11R0.81 CCCCOCN(C)CCCO 269982a_100000213112_100011995733 [0,2,0,0,0,0|1,0,0]=3 13128 B11R0.81 CCCCOCN(C)CCOC 2230a_100000743101_100011995733 [0,2,0,0,0,0|1,0,0]=3 13129 B11R0.81 CCCCOCN(C)CCOC 269982a_100000743101_100011995733 [0,2,0,0,0,0|1,0,0]=3 13130 B11R0.81 CCCCOCN(C)CCSC 2230a_100000686725_100011995733 [0,2,0,0,0,0|1,0,0]=3 13131 B11R0.81 CCCCOCN(C)CCSC 269982a_100000686725_100011995733 [0,2,0,0,0,0|1,0,0]=3 13132 B11R0.81 CCCCOC[C@@H](C)OCOC 34a_100016172286_100000210210 [0,2,0,0,0,0|1,0,0]=3 13133 B11R0.81 CCCCOC[C@@H](C)OCOC 7a_100016172286_100000210211 [0,2,0,0,0,0|1,0,0]=3 13134 B11R0.81 CCCCOC[C@@H](N)CCCC 34a_100011934283_100000210210 [0,2,0,0,0,0|0,0,0]=2 13135 B11R0.81 CCCCOC[C@@H](N)CCSC 34a_100011827619_100000210210 [0,2,0,0,0,0|0,0,0]=2 13136 B11R0.81 CCCCSCC(=O)CCCC 1458a_100000191162_100000210211 [0,2,0,0,0,0|0,1,0]=3 13137 B11R0.81 CCCCSCC(=O)CCCF 1458a_100000191162_100011934791 [0,2,0,0,0,0|0,1,1]=4 13138 B11R0.81 CCCCSCC(=O)CCCO 1458a_100000191162_100011215043 [0,2,0,0,0,0|0,1,1]=4 13139 B11R0.81 CCCCSCC(=O)CCOC 1458a_100000191162_100000233755 [0,2,0,0,0,0|0,1,1]=4 13140 B11R0.81 CCCCSCC(=O)CCSC 1458a_100000191162_100000751147 [0,2,0,0,0,0|0,1,1]=4 13141 B11R0.81 CCCCSCC(=O)NCCC 11a_100020643023_100000191162 [0,2,0,0,0,0|0,1,1]=4 13142 B11R0.81 CCCCSCC(=O)NCCC 1626a_100020643023_100000191162 [0,2,0,0,0,0|0,1,1]=4 13143 B11R0.81 CCCCSCC(=O)NCCC 240690a_100020643023_100000191162 [0,2,0,0,0,0|0,1,1]=4 13144 B11R0.81 CCCCSCC(=O)NCCC 527a_100020643023_100000191162 [0,2,0,0,0,0|0,1,1]=4 13145 B11R0.81 CCCCSCC(=O)NCCC 62a_100000183358_100000210210 [0,2,0,0,0,0|0,1,1]=4 13146 B11R0.81 CCCCSCC(=O)NCCC 62a_100000210211_100000183358 [0,2,0,0,0,0|0,1,1]=4 13147 B11R0.81 CCCCSCC(=O)OCCC 62a_100000210211_200011215008 [0,2,0,0,0,0|0,1,1]=4 13148 B11R0.81 CCCCSCC(=O)OCCC 62a_200011215008_100000210210 [0,2,0,0,0,0|0,1,1]=4 13149 B11R0.81 CCCC[C@H](N)COCCCF 34a_100011934283_100011934791 [0,2,0,0,0,0|1,0,0]=3 13150 B11R0.81 CCCC[C@H](N)COCCCO 34a_100011934283_100000230001 [0,2,0,0,0,0|1,0,0]=3 13151 B11R0.81 CCCC[C@H](N)COCCOC 34a_100011934283_100011201679 [0,2,0,0,0,0|1,0,0]=3 13152 B11R0.81 CCCC[C@H](N)COCCSC 34a_100011934283_100000212216 [0,2,0,0,0,0|1,0,0]=3 13153 B11R0.81 CCCNC(=O)CCCCCO 240690a_100020643023_100102619762 [0,2,0,0,0,0|2,0,0]=4 13154 B11R0.81 CCCNC(=O)CCCNCC 2230a_100015525214_100011194427 [0,2,0,0,0,0|2,0,0]=4 13155 B11R0.81 CCCNC(=O)CCCSCC 62a_100000210202_100011194427 [0,2,0,0,0,0|2,0,0]=4 13156 B11R0.81 CCCNC(=O)CCCSCC 62a_100011194427_100000210202 [0,2,0,0,0,0|2,0,0]=4 13157 B11R0.81 CCCNC(=O)COCCCBr 34a_100011217188_100000183358 [0,2,0,0,0,0|1,0,1]=4 13158 B11R0.81 CCCNC(=O)COCCCCl 34a_100000230001_100000183358 [0,2,0,0,0,0|1,0,1]=4 13159 B11R0.81 CCCNC(=O)COCCCF 34a_100000759539_100000183358 [0,2,0,0,0,0|1,0,1]=4 13160 B11R0.81 CCCNC(=O)COCCCN 34a_100000182051_100000183358 [0,2,0,0,0,0|1,0,1]=4 13161 B11R0.81 CCCNC(=O)COCCOC 11a_100020643023_100000211095 [0,2,0,0,0,0|1,0,1]=4 13162 B11R0.81 CCCNC(=O)COCCOC 1626a_100020643023_100000211095 [0,2,0,0,0,0|1,0,1]=4 13163 B11R0.81 CCCNC(=O)COCCOC 240690a_100020643023_100000211095 [0,2,0,0,0,0|1,0,1]=4 13164 B11R0.81 CCCNC(=O)COCCOC 34a_100000210237_100000183358 [0,2,0,0,0,0|1,0,1]=4 13165 B11R0.81 CCCNC(=O)COCCOC 527a_100020643023_100000211095 [0,2,0,0,0,0|1,0,1]=4 13166 B11R0.81 CCCNC(=O)COCCSC 34a_100000230434_100000183358 [0,2,0,0,0,0|1,0,1]=4 13167 B11R0.81 CCCNC(=O)COCCSC 7a_100000230434_100000183358 [0,2,0,0,0,0|1,0,1]=4 13168 B11R0.81 CCCOC(=O)COCCCBr 34a_100011217188_200011215008 [0,2,0,0,0,0|1,0,1]=4 13169 B11R0.81 CCCOC(=O)COCCCCl 34a_100000230001_200011215008 [0,2,0,0,0,0|1,0,1]=4 13170 B11R0.81 CCCOC(=O)COCCCF 34a_100000759539_200011215008 [0,2,0,0,0,0|1,0,1]=4 13171 B11R0.81 CCCOC(=O)COCCCN 34a_100000182051_200011215008 [0,2,0,0,0,0|1,0,1]=4 13172 B11R0.81 CCCOC(=O)COCCOC 34a_100000210237_200011215008 [0,2,0,0,0,0|1,0,1]=4 13173 B11R0.81 CCCOC(=O)COCCSC 34a_100000230434_200011215008 [0,2,0,0,0,0|1,0,1]=4 13174 B11R0.81 CCCOC(=O)COCCSC 7a_100000230434_200011215008 [0,2,0,0,0,0|1,0,1]=4 13175 B11R0.81 CCCOC(=O)OCSCCC 62a_100000210303_200000139673 [0,2,0,0,0,0|1,0,1]=4 13176 B11R0.81 CCCOC(C)CNCCCF 2230a_100015185124_100011934791 [0,2,0,0,0,0|2,0,0]=4 13177 B11R0.81 CCCOC(C)CNCCCF 34a_100015185124_100011934791 [0,2,0,0,0,0|2,0,0]=4 13178 B11R0.81 CCCOC(C)CNCCCO 2230a_100015185124_100000230001 [0,2,0,0,0,0|2,0,0]=4 13179 B11R0.81 CCCOC(C)CNCCCO 34a_100015185124_100000230001 [0,2,0,0,0,0|2,0,0]=4 13180 B11R0.81 CCCOC(C)CNCCOC 2230a_100015185124_100011201679 [0,2,0,0,0,0|2,0,0]=4 13181 B11R0.81 CCCOC(C)CNCCOC 34a_100015185124_100011201679 [0,2,0,0,0,0|2,0,0]=4 13182 B11R0.81 CCCOC(C)CNCCSC 2230a_100015185124_100000751147 [0,2,0,0,0,0|2,0,0]=4 13183 B11R0.81 CCCOC(C)CNCCSC 34a_100015185124_100000212216 [0,2,0,0,0,0|2,0,0]=4 13184 B11R0.81 CCCOCCC(=O)CCOC 1458a_100000749529_100011215938 [0,2,0,0,0,0|2,0,0]=4 13185 B11R0.81 CCCOCCC(=O)CCSC 1458a_100000174002_100011215938 [0,2,0,0,0,0|2,0,0]=4 13186 B11R0.81 CCCOCCC(=O)COCC 1458a_100000211967_100011215938 [0,2,0,0,0,0|2,0,0]=4 13187 B11R0.81 CCCOCCC(=O)CSCC 1458a_100000230394_100011215938 [0,2,0,0,0,0|2,0,0]=4 13188 B11R0.81 CCCOCCN(C)CCCO 2230a_100000213112_100011215938 [0,2,0,0,0,0|2,0,0]=4 13189 B11R0.81 CCCOCCN(C)CCCO 269982a_100000213112_100011215938 [0,2,0,0,0,0|2,0,0]=4 13190 B11R0.81 CCCOCCN(C)CCOC 2230a_100000743101_100011215938 [0,2,0,0,0,0|2,0,0]=4 13191 B11R0.81 CCCOCCN(C)CCOC 269982a_100000743101_100011215938 [0,2,0,0,0,0|2,0,0]=4 13192 B11R0.81 CCCOCCN(C)CCSC 2230a_100000686725_100011215938 [0,2,0,0,0,0|2,0,0]=4 13193 B11R0.81 CCCOCCN(C)CCSC 269982a_100000686725_100011215938 [0,2,0,0,0,0|2,0,0]=4 13194 B11R0.81 CCCOCOC(=O)OCCC 34a_100000210258_200000139673 [0,2,0,0,0,0|1,0,1]=4 13195 B11R0.81 CCNCC(=O)OCCOCC 2230a_100015525214_200000101388 [0,2,0,0,0,0|1,0,1]=4 13196 B11R0.81 CCOCC(=O)CCCCCF 1458a_100000211967_100000729378 [0,2,0,0,0,0|2,0,0]=4 13197 B11R0.81 CCOCC(=O)CCCCCO 1458a_100000211967_100000746330 [0,2,0,0,0,0|2,0,0]=4 13198 B11R0.81 CCOCC(=O)CCCCOC 1458a_100000211967_100000755781 [0,2,0,0,0,0|2,0,0]=4 13199 B11R0.81 CCOCC(C)OCCCC#N 7a_100000718985_100000687738 [0,2,0,0,0,0|1,0,1]=4 13200 B11R0.81 CCOCC(C)OCCCC=O 7a_100000718985_200011292268 [0,2,0,0,0,0|1,0,1]=4 13201 B11R0.81 CCOCC(C)OCCCCF 34a_100000718985_100000729493 [0,2,0,0,0,0|1,0,0]=3 13202 B11R0.81 CCOCC(C)OCCCCF 7a_100000718985_100000729493 [0,2,0,0,0,0|1,0,0]=3 13203 B11R0.81 CCOCC(C)OCCCCO 34a_100000718985_100011216708 [0,2,0,0,0,0|1,0,0]=3 13204 B11R0.81 CCOCC(C)OCCCCO 7a_100000718985_100000210776 [0,2,0,0,0,0|1,0,0]=3 13205 B11R0.81 CCOCC(C)OCCCOC 34a_100000718985_100000740836 [0,2,0,0,0,0|1,0,0]=3 13206 B11R0.81 CCOCC(C)OCCCOC 7a_100000718985_100000740836 [0,2,0,0,0,0|1,0,0]=3 13207 B11R0.81 CCOCC(C)OCCSCC 34a_100000718985_100000757381 [0,2,0,0,0,0|1,0,0]=3 13208 B11R0.81 CCOCC(C)OCCSCC 7a_100000718985_100000757381 [0,2,0,0,0,0|1,0,0]=3 13209 B11R0.81 CCOCC(O)CNCCCF 2230a_102515437182_100011934791 [0,2,0,0,0,0|2,0,0]=4 13210 B11R0.81 CCOCC(O)CNCCCF 34a_102515437182_100011934791 [0,2,0,0,0,0|2,0,0]=4 13211 B11R0.81 CCOCC(O)CNCCCO 2230a_102515437182_100000230001 [0,2,0,0,0,0|2,0,0]=4 13212 B11R0.81 CCOCC(O)CNCCCO 34a_102515437182_100000230001 [0,2,0,0,0,0|2,0,0]=4 13213 B11R0.81 CCOCC(O)CNCCOC 2230a_102515437182_100011201679 [0,2,0,0,0,0|2,0,0]=4 13214 B11R0.81 CCOCC(O)CNCCOC 34a_102515437182_100011201679 [0,2,0,0,0,0|2,0,0]=4 13215 B11R0.81 CCOCC(O)CNCCSC 2230a_102515437182_100000751147 [0,2,0,0,0,0|2,0,0]=4 13216 B11R0.81 CCOCC(O)CNCCSC 34a_102515437182_100000212216 [0,2,0,0,0,0|2,0,0]=4 13217 B11R0.81 CCOCCCC(=O)CCOC 1458a_100000749529_100012232248 [0,2,0,0,0,0|2,0,0]=4 13218 B11R0.81 CCOCCCC(=O)CCSC 1458a_100000174002_100012232248 [0,2,0,0,0,0|2,0,0]=4 13219 B11R0.81 CCOCCCC(=O)COCC 1458a_100000211967_100012232248 [0,2,0,0,0,0|2,0,0]=4 13220 B11R0.81 CCOCCCC(=O)CSCC 1458a_100000230394_100012232248 [0,2,0,0,0,0|2,0,0]=4 13221 B11R0.81 CCOCCCN(C)CCCO 2230a_100000213112_100012232248 [0,2,0,0,0,0|2,0,0]=4 13222 B11R0.81 CCOCCCN(C)CCCO 269982a_100000213112_100012232248 [0,2,0,0,0,0|2,0,0]=4 13223 B11R0.81 CCOCCCN(C)CCOC 2230a_100000743101_100012232248 [0,2,0,0,0,0|2,0,0]=4 13224 B11R0.81 CCOCCCN(C)CCOC 269982a_100000743101_100012232248 [0,2,0,0,0,0|2,0,0]=4 13225 B11R0.81 CCOCCCN(C)CCSC 2230a_100000686725_100012232248 [0,2,0,0,0,0|2,0,0]=4 13226 B11R0.81 CCOCCCN(C)CCSC 269982a_100000686725_100012232248 [0,2,0,0,0,0|2,0,0]=4 13227 B11R0.81 CCOCCNC(C)CCOC 270004a_102516460346_100000742357 [0,2,0,0,0,0|2,0,0]=4 13228 B11R0.81 CCOCCNC(C)CCSC 270004a_102516460346_100011217047 [0,2,0,0,0,0|2,0,0]=4 13229 B11R0.81 CCOCCNC(C)CSCC 270004a_102516460346_200011216171 [0,2,0,0,0,0|2,0,0]=4 13230 B11R0.81 CCOCCOC(=O)COCC 34a_100121572206_200000101388 [0,2,0,0,0,0|1,0,1]=4 13231 B11R0.81 CCOCCOC(=O)CSCC 62a_100000210202_200000101388 [0,2,0,0,0,0|1,0,1]=4 13232 B11R0.81 CCOCCOC(=O)CSCC 62a_200000101388_100000210202 [0,2,0,0,0,0|1,0,1]=4 13233 B11R0.81 CCOCCOC(C)CCCCl 34a_200000718107_100000210147 [0,2,0,0,0,0|1,0,0]=3 13234 B11R0.81 CCOCCOC(C)CCCCl 7a_200000718107_100011215890 [0,2,0,0,0,0|1,0,0]=3 13235 B11R0.81 CCOCCOC(C)COCC 34a_100000718985_100000210147 [0,2,0,0,0,0|1,0,0]=3 13236 B11R0.81 CCOCCOC(C)COCC 7a_100000718985_100011215890 [0,2,0,0,0,0|1,0,0]=3 13237 B11R0.81 CCOCN(C)CCCCCO 269982a_100000722520_100000739092 [0,2,0,0,0,0|2,0,0]=4 13238 B11R0.81 CCSCC(=O)CCCCCF 1458a_100000230394_100000729378 [0,2,0,0,0,0|2,0,0]=4 13239 B11R0.81 CCSCC(=O)CCCCCO 1458a_100000230394_100000746330 [0,2,0,0,0,0|2,0,0]=4 13240 B11R0.81 CCSCC(=O)CCCCOC 1458a_100000230394_100000755781 [0,2,0,0,0,0|2,0,0]=4 13241 B11R0.81 CCSCC(C)NCCCCO 270004a_100000750430_200011216171 [0,2,0,0,0,0|2,0,0]=4 13242 B11R0.81 CCSCC(C)NCCCOC 270004a_100150723488_200011216171 [0,2,0,0,0,0|2,0,0]=4 13243 B11R0.81 CCSCC(C)NCCCSC 270004a_100000749238_200011216171 [0,2,0,0,0,0|2,0,0]=4 13244 B11R0.81 CCSCCNC(C)CCOC 270004a_100000106463_100000742357 [0,2,0,0,0,0|2,0,0]=4 13245 B11R0.81 CCSCCNC(C)CCSC 270004a_100000106463_100011217047 [0,2,0,0,0,0|2,0,0]=4 13246 B11R0.81 CCSCCNC(C)CSCC 270004a_100000106463_200011216171 [0,2,0,0,0,0|2,0,0]=4 13247 B11R0.81 CCSCCOC(C)CCCCl 34a_200000718107_100000757381 [0,2,0,0,0,0|1,0,0]=3 13248 B11R0.81 CCSCCOC(C)CCCCl 7a_200000718107_100000757381 [0,2,0,0,0,0|1,0,0]=3 13249 B11R0.81 CN(CCCF)CCCCCO 2230a_100000722520_100011934791 [0,2,0,0,0,0|2,0,0]=4 13250 B11R0.81 CN(CCCF)CCCCCO 269982a_100000722520_100011934791 [0,2,0,0,0,0|2,0,0]=4 13251 B11R0.81 CN(CCCO)CCCCCF 2230a_100000213112_100000729378 [0,2,0,0,0,0|2,0,0]=4 13252 B11R0.81 CN(CCCO)CCCCCF 269982a_100000213112_100000729378 [0,2,0,0,0,0|2,0,0]=4 13253 B11R0.81 CN(CCCO)CCCCCO 2230a_100000213112_100000746330 [0,2,0,0,0,0|2,0,0]=4 13254 B11R0.81 CN(CCCO)CCCCCO 2230a_100000722520_100000230001 [0,2,0,0,0,0|2,0,0]=4 13255 B11R0.81 CN(CCCO)CCCCCO 269982a_100000213112_100000746330 [0,2,0,0,0,0|2,0,0]=4 13256 B11R0.81 CN(CCCO)CCCCCO 269982a_100000722520_100011215043 [0,2,0,0,0,0|2,0,0]=4 13257 B11R0.81 COCCC(=O)CCCCCF 1458a_100000749529_100000729378 [0,2,0,0,0,0|2,0,0]=4 13258 B11R0.81 COCCC(=O)CCCCCO 1458a_100000749529_100000746330 [0,2,0,0,0,0|2,0,0]=4 13259 B11R0.81 COCCC(=O)CCCCCO 1458a_100102619762_100000233755 [0,2,0,0,0,0|2,0,0]=4 13260 B11R0.81 COCCC(C)NCCCCO 270004a_100000750430_100000742357 [0,2,0,0,0,0|2,0,0]=4 13261 B11R0.81 COCCC(C)NCCCSC 270004a_100000749238_100000742357 [0,2,0,0,0,0|2,0,0]=4 13262 B11R0.81 COCCCCC(=O)CCOC 1458a_100000749529_100000755781 [0,2,0,0,0,0|2,0,0]=4 13263 B11R0.81 COCCCCC(=O)CCSC 1458a_100000174002_100000755781 [0,2,0,0,0,0|2,0,0]=4 13264 B11R0.81 COCCCCN(C)CCCO 2230a_100000213112_100000730899 [0,2,0,0,0,0|2,0,0]=4 13265 B11R0.81 COCCCCN(C)CCCO 269982a_100000213112_100000730899 [0,2,0,0,0,0|2,0,0]=4 13266 B11R0.81 COCCCCN(C)CCOC 2230a_100000743101_100000730899 [0,2,0,0,0,0|2,0,0]=4 13267 B11R0.81 COCCCCN(C)CCOC 269982a_100000743101_100000730899 [0,2,0,0,0,0|2,0,0]=4 13268 B11R0.81 COCCCCN(C)CCSC 2230a_100000686725_100000730899 [0,2,0,0,0,0|2,0,0]=4 13269 B11R0.81 COCCCCN(C)CCSC 269982a_100000686725_100000730899 [0,2,0,0,0,0|2,0,0]=4 13270 B11R0.81 COCCCNC(C)CCOC 270004a_100150723488_100000742357 [0,2,0,0,0,0|2,0,0]=4 13271 B11R0.81 COCCCNC(C)CCSC 270004a_100150723488_100011217047 [0,2,0,0,0,0|2,0,0]=4 13272 B11R0.81 COCCCOC(C)CCCCl 34a_200000718107_100000740836 [0,2,0,0,0,0|1,0,0]=3 13273 B11R0.81 COCCCOC(C)CCCCl 7a_200000718107_100000740836 [0,2,0,0,0,0|1,0,0]=3 13274 B11R0.81 COCCN(C)CCCCCF 2230a_100000743101_100000729378 [0,2,0,0,0,0|2,0,0]=4 13275 B11R0.81 COCCN(C)CCCCCF 269982a_100000743101_100000729378 [0,2,0,0,0,0|2,0,0]=4 13276 B11R0.81 COCCN(C)CCCCCO 2230a_100000722520_100011201679 [0,2,0,0,0,0|2,0,0]=4 13277 B11R0.81 COCCN(C)CCCCCO 2230a_100000743101_100000746330 [0,2,0,0,0,0|2,0,0]=4 13278 B11R0.81 COCCN(C)CCCCCO 269982a_100000722520_100000233755 [0,2,0,0,0,0|2,0,0]=4 13279 B11R0.81 COCCN(C)CCCCCO 269982a_100000743101_100000746330 [0,2,0,0,0,0|2,0,0]=4 13280 B11R0.81 COCCNC[C@H](C)CCCO 2230a_100160569302_100011201679 [0,2,0,0,0,0|2,0,0]=4 13281 B11R0.81 COCCNC[C@H](C)CCCO 34a_100160569302_100011201679 [0,2,0,0,0,0|2,0,0]=4 13282 B11R0.81 COCCOCC(=O)CCCF 1458a_100000211095_100011934791 [0,2,0,0,0,0|1,0,1]=4 13283 B11R0.81 COCCOCC(=O)CCCO 1458a_100000211095_100011215043 [0,2,0,0,0,0|1,0,1]=4 13284 B11R0.81 COCCOCC(=O)CCOC 1458a_100000211095_100000233755 [0,2,0,0,0,0|1,0,1]=4 13285 B11R0.81 COCCOCC(=O)CCSC 1458a_100000211095_100000751147 [0,2,0,0,0,0|1,0,1]=4 13286 B11R0.81 COCCOCN(C)CCCO 2230a_100000213112_100000231047 [0,2,0,0,0,0|2,0,0]=4 13287 B11R0.81 COCCOCN(C)CCCO 269982a_100000213112_100000231047 [0,2,0,0,0,0|2,0,0]=4 13288 B11R0.81 COCCOCN(C)CCOC 2230a_100000743101_100000231047 [0,2,0,0,0,0|2,0,0]=4 13289 B11R0.81 COCCOCN(C)CCOC 269982a_100000743101_100000231047 [0,2,0,0,0,0|2,0,0]=4 13290 B11R0.81 COCCOCN(C)CCSC 2230a_100000686725_100000231047 [0,2,0,0,0,0|2,0,0]=4 13291 B11R0.81 COCCOCN(C)CCSC 269982a_100000686725_100000231047 [0,2,0,0,0,0|2,0,0]=4 13292 B11R0.81 COCCOC[C@@H](C)OCOC 34a_100016172286_100011201679 [0,2,0,0,0,0|2,0,0]=4 13293 B11R0.81 COCCOC[C@@H](C)OCOC 7a_100016172286_100000233755 [0,2,0,0,0,0|2,0,0]=4 13294 B11R0.81 COCCOC[C@@H](N)CCSC 34a_100011827619_100011201679 [0,2,0,0,0,0|1,0,0]=3 13295 B11R0.81 COCO[C@H](C)COCCCF 34a_100016172286_100011934791 [0,2,0,0,0,0|2,0,0]=4 13296 B11R0.81 COCO[C@H](C)COCCCF 7a_100016172286_100011934791 [0,2,0,0,0,0|2,0,0]=4 13297 B11R0.81 COCO[C@H](C)COCCCO 34a_100016172286_100000230001 [0,2,0,0,0,0|2,0,0]=4 13298 B11R0.81 COCO[C@H](C)COCCCO 7a_100016172286_100011215043 [0,2,0,0,0,0|2,0,0]=4 13299 B11R0.81 COCO[C@H](C)COCCSC 34a_100016172286_100000212216 [0,2,0,0,0,0|2,0,0]=4 13300 B11R0.81 COCO[C@H](C)COCCSC 7a_100016172286_100000212216 [0,2,0,0,0,0|2,0,0]=4 13301 B11R0.81 CSCCC(=O)CCCCCF 1458a_100000174002_100000729378 [0,2,0,0,0,0|2,0,0]=4 13302 B11R0.81 CSCCC(=O)CCCCCO 1458a_100000174002_100000746330 [0,2,0,0,0,0|2,0,0]=4 13303 B11R0.81 CSCCC(=O)CCCCCO 1458a_100102619762_100000751147 [0,2,0,0,0,0|2,0,0]=4 13304 B11R0.81 CSCCC(C)NCCCCO 270004a_100000750430_100011217047 [0,2,0,0,0,0|2,0,0]=4 13305 B11R0.81 CSCCCNC(C)CCSC 270004a_100000749238_100011217047 [0,2,0,0,0,0|2,0,0]=4 13306 B11R0.81 CSCCN(C)CCCCCF 2230a_100000686725_100000729378 [0,2,0,0,0,0|2,0,0]=4 13307 B11R0.81 CSCCN(C)CCCCCF 269982a_100000686725_100000729378 [0,2,0,0,0,0|2,0,0]=4 13308 B11R0.81 CSCCN(C)CCCCCO 2230a_100000686725_100000746330 [0,2,0,0,0,0|2,0,0]=4 13309 B11R0.81 CSCCN(C)CCCCCO 2230a_100000722520_100000751147 [0,2,0,0,0,0|2,0,0]=4 13310 B11R0.81 CSCCN(C)CCCCCO 269982a_100000686725_100000746330 [0,2,0,0,0,0|2,0,0]=4 13311 B11R0.81 CSCCN(C)CCCCCO 269982a_100000722520_100000212216 [0,2,0,0,0,0|2,0,0]=4 13312 B11R0.81 CSCCNC[C@H](C)CCCO 2230a_100160569302_100000751147 [0,2,0,0,0,0|2,0,0]=4 13313 B11R0.81 CSCCNC[C@H](C)CCCO 34a_100160569302_100000212216 [0,2,0,0,0,0|2,0,0]=4 13314 B11R0.81 CSCCOC[C@@H](N)CCSC 34a_100011827619_100000212216 [0,2,0,0,0,0|1,0,0]=3 13315 B11R0.81 CSCC[C@H](N)COCCCF 34a_100011827619_100011934791 [0,2,0,0,0,0|1,0,0]=3 13316 B11R0.81 CSCC[C@H](N)COCCCO 34a_100011827619_100000230001 [0,2,0,0,0,0|1,0,0]=3 13317 B11R0.81 C[C@H](CCCO)CNCCCF 2230a_100160569302_100011934791 [0,2,0,0,0,0|2,0,0]=4 13318 B11R0.81 C[C@H](CCCO)CNCCCF 34a_100160569302_100011934791 [0,2,0,0,0,0|2,0,0]=4 13319 B11R0.81 C[C@H](CCCO)CNCCCO 2230a_100160569302_100000230001 [0,2,0,0,0,0|2,0,0]=4 13320 B11R0.81 C[C@H](CCCO)CNCCCO 34a_100160569302_100000230001 [0,2,0,0,0,0|2,0,0]=4 13321 B11R0.81 O=C(CCCF)CCCCCO 1458a_100102619762_100011934791 [0,2,0,0,0,0|2,0,0]=4 13322 B11R0.81 O=C(CCCO)CCCCCO 1458a_100102619762_100011215043 [0,2,0,0,0,0|2,0,0]=4 13323 B11R0.142 C#CCCCOC(C)C(C)CC 7a_100011215189_100011215417 [0,2,0,0,0,0|0,0,2]=4 13324 B11R0.142 C=CCCCOC(C)C(C)CC 7a_100011215189_100000757094 [0,2,0,0,0,0|0,0,2]=4 13325 B11R0.142 C=C[C@@H](C)[C@@H](C)OCCCCC 34a_100015455354_100000718602 [0,2,0,0,0,0|0,0,2]=4 13326 B11R0.142 C=C[C@@H](C)[C@@H](C)OCCCCC 7a_100015455354_100000210326 [0,2,0,0,0,0|0,0,2]=4 13327 B11R0.142 CC/C=C\COC(C)C(C)CC 7a_100011215189_100103147603 [0,2,0,0,0,0|0,0,2]=4 13328 B11R0.142 CCC#CCOC(C)C(C)CC 7a_100011215189_100009813939 [0,2,0,0,0,0|0,0,2]=4 13329 B11R0.142 CCC(=O)C(C)OCCCCCl 7a_100000210776_100000742827 [0,2,0,0,0,0|1,0,1]=4 13330 B11R0.142 CCC(=O)C(C)OCCCCF 7a_100011995726_100000742827 [0,2,0,0,0,0|1,0,1]=4 13331 B11R0.142 CCC(=O)C(C)OCCCSC 7a_100000690336_100000742827 [0,2,0,0,0,0|1,0,1]=4 13332 B11R0.142 CCC(C)C(=O)COCCOC 1458a_100000211095_100000758301 [0,2,0,0,0,0|1,0,1]=4 13333 B11R0.142 CCC(C)C(C)NCCCCO 269862a_100000750430_100000210599 [0,2,0,0,0,0|2,0,0]=4 13334 B11R0.142 CCC(C)C(C)NCCCCO 270004a_100000750430_100000210599 [0,2,0,0,0,0|2,0,0]=4 13335 B11R0.142 CCC(C)C(C)NCCCOC 269862a_100150723488_100000210599 [0,2,0,0,0,0|2,0,0]=4 13336 B11R0.142 CCC(C)C(C)NCCCOC 270004a_100150723488_100000210599 [0,2,0,0,0,0|2,0,0]=4 13337 B11R0.142 CCC(C)C(C)NCCCSC 269862a_100000749238_100000210599 [0,2,0,0,0,0|2,0,0]=4 13338 B11R0.142 CCC(C)C(C)NCCCSC 270004a_100000749238_100000210599 [0,2,0,0,0,0|2,0,0]=4 13339 B11R0.142 CCC(C)C(C)OCCCC#N 7a_100011215189_100000687738 [0,2,0,0,0,0|1,0,1]=4 13340 B11R0.142 CCC(C)C(C)OCCCC=O 7a_100011215189_200011292268 [0,2,0,0,0,0|1,0,1]=4 13341 B11R0.142 CCC(C)C(C)OCCCCF 7a_100011215189_100000729493 [0,2,0,0,0,0|1,0,0]=3 13342 B11R0.142 CCC(C)C(C)OCCCCO 7a_100011215189_100000210776 [0,2,0,0,0,0|1,0,0]=3 13343 B11R0.142 CCC(C)C(C)OCCCOC 7a_100011215189_100000740836 [0,2,0,0,0,0|1,0,0]=3 13344 B11R0.142 CCC(C)N(C)COCCOC 2230a_100000741768_100000231047 [0,2,0,0,0,0|2,0,0]=4 13345 B11R0.142 CCC(C)N(C)COCCOC 269982a_100000741768_100000231047 [0,2,0,0,0,0|2,0,0]=4 13346 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100011192722_100000210757 [0,2,0,0,0,0|1,0,1]=4 13347 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100102632555_100000758301 [0,2,0,0,0,0|1,0,1]=4 13348 B11R0.142 CCCCCCC(=O)C(O)CC 1458a_100011196387_100000210757 [0,2,0,0,0,0|1,0,1]=4 13349 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [0,2,0,0,0,0|1,0,1]=4 13350 B11R0.142 CCCCCCC(C)N(C)CC 2230a_100000225621_100011215978 [0,2,0,0,0,0|2,0,0]=4 13351 B11R0.142 CCCCCCC(C)N(C)CC 269982a_100000225621_100011215978 [0,2,0,0,0,0|2,0,0]=4 13352 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [0,2,0,0,0,0|1,0,1]=4 13353 B11R0.142 CCCCCCN(C)C(C)CC 2230a_100000741768_100000210314 [0,2,0,0,0,0|2,0,0]=4 13354 B11R0.142 CCCCCCN(C)C(C)CC 2230a_106256046315_100000758301 [0,2,0,0,0,0|2,0,0]=4 13355 B11R0.142 CCCCCCN(C)C(C)CC 269982a_100000741768_100000210757 [0,2,0,0,0,0|2,0,0]=4 13356 B11R0.142 CCCCCCN(C)C(C)CC 269982a_106256046315_100000758301 [0,2,0,0,0,0|2,0,0]=4 13357 B11R0.142 CCCCCNC(=O)C(C)CC 11a_100000209983_100011192722 [0,2,0,0,0,0|1,0,1]=4 13358 B11R0.142 CCCCCNC(=O)C(C)CC 1626a_100000209983_100011192722 [0,2,0,0,0,0|1,0,1]=4 13359 B11R0.142 CCCCCNC(=O)C(C)CC 240690a_100000209983_100011192722 [0,2,0,0,0,0|1,0,1]=4 13360 B11R0.142 CCCCCNC(=O)C(C)CC 527a_100000209983_100011192722 [0,2,0,0,0,0|1,0,1]=4 13361 B11R0.142 CCCCCNC(=O)C(O)CC 240690a_100000209983_100011196387 [0,2,0,0,0,0|1,0,1]=4 13362 B11R0.142 CCCCCNC(C)C(=O)CC 2230a_100000209983_100000742827 [0,2,0,0,0,0|1,0,1]=4 13363 B11R0.142 CCCCCNC(C)C(C)CC 269862a_100000209983_100000210599 [0,2,0,0,0,0|1,0,0]=3 13364 B11R0.142 CCCCCNC(C)C(C)CC 270004a_100000209983_100000210599 [0,2,0,0,0,0|1,0,0]=3 13365 B11R0.142 CCCCCOC(C)C(=O)CC 7a_100000210253_100000742827 [0,2,0,0,0,0|0,0,1]=3 13366 B11R0.142 CCCCCOC(C)C(=O)NC 34a_100000210253_100000731044 [0,2,0,0,0,0|1,0,1]=4 13367 B11R0.142 CCCCCOC(C)C(=O)NC 7a_100000210253_100000209862 [0,2,0,0,0,0|1,0,1]=4 13368 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100000210253_100000211248 [0,2,0,0,0,0|1,0,1]=4 13369 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100011215400_100000718602 [0,2,0,0,0,0|1,0,1]=4 13370 B11R0.142 CCCCCOC(C)C(=O)OC 7a_100000210253_100000211248 [0,2,0,0,0,0|1,0,1]=4 13371 B11R0.142 CCCCCOC(C)C(C)CC 7a_100011215189_100000210326 [0,2,0,0,0,0|0,0,0]=2 13372 B11R0.142 CCCCCOC(F)C(=O)NC 34a_100000210253_100009813575 [0,2,0,0,0,0|1,0,1]=4 13373 B11R0.142 CCCCCOC(F)C(=O)NC 7a_100000210253_100009813575 [0,2,0,0,0,0|1,0,1]=4 13374 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000210326_100000742827 [0,2,0,0,0,0|0,1,1]=4 13375 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000742827_100000210326 [0,2,0,0,0,0|0,1,1]=4 13376 B11R0.142 CCCCOCC(=O)C(C)CC 1458a_100000757543_100000758301 [0,2,0,0,0,0|0,0,1]=3 13377 B11R0.142 CCCCOCC(=O)C(C)CC 1458a_100011192722_100011995733 [0,2,0,0,0,0|0,0,1]=3 13378 B11R0.142 CCCCOCC(=O)C(C)OC 1458a_100000743197_100011995733 [0,2,0,0,0,0|1,0,1]=4 13379 B11R0.142 CCCCOCC(=O)C(C)SC 1458a_100000149566_100011995733 [0,2,0,0,0,0|1,0,1]=4 13380 B11R0.142 CCCCOCC(=O)C(O)CC 1458a_100011196387_100011995733 [0,2,0,0,0,0|0,0,1]=3 13381 B11R0.142 CCCCOCC(=O)C(O)CO 1458a_100011215603_100011995733 [0,2,0,0,0,0|1,0,1]=4 13382 B11R0.142 CCCCOCC(=O)N(C)CC 11a_100000225621_100000757543 [0,2,0,0,0,0|1,0,1]=4 13383 B11R0.142 CCCCOCC(=O)N(C)CC 1626a_100000225621_100000757543 [0,2,0,0,0,0|1,0,1]=4 13384 B11R0.142 CCCCOCC(=O)N(C)CC 240690a_100000225621_100000757543 [0,2,0,0,0,0|1,0,1]=4 13385 B11R0.142 CCCCOCC(=O)N(C)CC 34a_100000210227_100000738999 [0,2,0,0,0,0|1,0,1]=4 13386 B11R0.142 CCCCOCC(=O)N(C)CC 527a_100000225621_100000757543 [0,2,0,0,0,0|1,0,1]=4 13387 B11R0.142 CCCCOCC(=O)N(C)CC 7a_100000210227_100000738999 [0,2,0,0,0,0|1,0,1]=4 13388 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000210227_100000698445 [0,2,0,0,0,0|1,0,1]=4 13389 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000749362_100000210210 [0,2,0,0,0,0|1,0,1]=4 13390 B11R0.142 CCCCOCC(C)C(=O)OC 7a_100000749362_100000210211 [0,2,0,0,0,0|1,0,1]=4 13391 B11R0.142 CCCCOCC(C)N(C)CC 7a_100000732741_100000210211 [0,2,0,0,0,0|1,0,0]=3 13392 B11R0.142 CCCCOCC(F)C(=O)OC 34a_200009849844_100000210210 [0,2,0,0,0,0|1,0,1]=4 13393 B11R0.142 CCCCOCN(C)C(C)CC 2230a_100000741768_100011995733 [0,2,0,0,0,0|1,0,0]=3 13394 B11R0.142 CCCCOCN(C)C(C)CC 269982a_100000741768_100011995733 [0,2,0,0,0,0|1,0,0]=3 13395 B11R0.142 CCCCOCN(C)C(C)CO 2230a_100000693034_100011995733 [0,2,0,0,0,0|2,0,0]=4 13396 B11R0.142 CCCCOCN(C)C(C)CO 269982a_100000693034_100011995733 [0,2,0,0,0,0|2,0,0]=4 13397 B11R0.142 CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210210 [0,2,0,0,0,0|1,0,1]=4 13398 B11R0.142 CCCCSCC(=O)C(C)CC 1458a_100000191162_100000758301 [0,2,0,0,0,0|0,1,1]=4 13399 B11R0.142 CCN(C)C(C)COCCCF 7a_100000732741_100011934791 [0,2,0,0,0,0|2,0,0]=4 13400 B11R0.142 CCN(C)C(C)COCCCO 7a_100000732741_100011215043 [0,2,0,0,0,0|2,0,0]=4 13401 B11R0.142 CCN(C)C(C)COCCOC 7a_100000732741_100000233755 [0,2,0,0,0,0|2,0,0]=4 13402 B11R0.142 CCN(C)C(C)COCCSC 7a_100000732741_100000212216 [0,2,0,0,0,0|2,0,0]=4 13403 B11R0.142 CCOCCNC(C)C(C)CC 269862a_100011200944_100000210599 [0,2,0,0,0,0|2,0,0]=4 13404 B11R0.142 CCOCCNC(C)C(C)CC 270004a_102516460346_100000210599 [0,2,0,0,0,0|2,0,0]=4 13405 B11R0.142 CCOCCOC(C)C(=O)CC 1458a_100000743585_100000210202 [0,2,0,0,0,0|1,0,1]=4 13406 B11R0.142 CCOCCOC(C)C(=O)CC 7a_100000210136_100000742827 [0,2,0,0,0,0|1,0,1]=4 13407 B11R0.142 CCOCCOC(C)C(C)CC 7a_100011215189_100011215890 [0,2,0,0,0,0|1,0,0]=3 13408 B11R0.142 CCSCCNC(C)C(C)CC 269862a_100000106463_100000210599 [0,2,0,0,0,0|2,0,0]=4 13409 B11R0.142 CCSCCNC(C)C(C)CC 270004a_100000106463_100000210599 [0,2,0,0,0,0|2,0,0]=4 13410 B11R0.142 CCSCCOC(C)C(=O)CC 7a_100000212035_100000742827 [0,2,0,0,0,0|1,0,1]=4 13411 B11R0.142 CCSCCOC(C)C(C)CC 7a_100011215189_100000757381 [0,2,0,0,0,0|1,0,0]=3 13412 B11R0.155 C#CCCOC(C)C(C)CCC 34a_100000708338_100000688953 [0,2,0,0,0,0|0,0,2]=4 13413 B11R0.155 C#CCCOC(C)C(C)CCC 7a_100000708338_100000688953 [0,2,0,0,0,0|0,0,2]=4 13414 B11R0.155 C/C=C/COC(C)C(C)CCC 34a_100000708338_100102629194 [0,2,0,0,0,0|0,0,2]=4 13415 B11R0.155 C/C=C/COC(C)C(C)CCC 7a_100000708338_100102629194 [0,2,0,0,0,0|0,0,2]=4 13416 B11R0.155 C=CCCOC(C)C(C)CCC 34a_100000708338_100000754431 [0,2,0,0,0,0|0,0,2]=4 13417 B11R0.155 C=CCCOC(C)C(C)CCC 7a_100000708338_100000754431 [0,2,0,0,0,0|0,0,2]=4 13418 B11R0.155 CC#CCOC(C)C(C)CCC 34a_100000708338_100000748600 [0,2,0,0,0,0|0,0,2]=4 13419 B11R0.155 CC#CCOC(C)C(C)CCC 7a_100000708338_100000748600 [0,2,0,0,0,0|0,0,2]=4 13420 B11R0.155 CC=CCOC(C)C(C)CCC 34a_100000708338_100000070051 [0,2,0,0,0,0|0,0,2]=4 13421 B11R0.155 CC=CCOC(C)C(C)CCC 7a_100000708338_100000070051 [0,2,0,0,0,0|0,0,2]=4 13422 B11R0.155 CCCC(C)C(=O)CCCCF 1458a_100000210906_100000729493 [0,2,0,0,0,0|2,0,0]=4 13423 B11R0.155 CCCC(C)C(=O)CCCCO 1458a_100000210906_100000210776 [0,2,0,0,0,0|2,0,0]=4 13424 B11R0.155 CCCC(C)C(=O)CCCCO 1458a_100000695505_100000766640 [0,2,0,0,0,0|2,0,0]=4 13425 B11R0.155 CCCC(C)C(=O)CCCOC 1458a_100000210906_100000740836 [0,2,0,0,0,0|2,0,0]=4 13426 B11R0.155 CCCC(C)C(=O)CCCOC 1458a_100000741012_100000766640 [0,2,0,0,0,0|2,0,0]=4 13427 B11R0.155 CCCC(C)C(=O)CCCSC 1458a_100000173376_100000766640 [0,2,0,0,0,0|2,0,0]=4 13428 B11R0.155 CCCC(C)C(=O)CCOCC 1458a_100000210906_100011215890 [0,2,0,0,0,0|2,0,0]=4 13429 B11R0.155 CCCC(C)C(=O)CCOCC 1458a_100000749530_100000766640 [0,2,0,0,0,0|2,0,0]=4 13430 B11R0.155 CCCC(C)C(=O)CCSCC 1458a_100000210906_100000757381 [0,2,0,0,0,0|2,0,0]=4 13431 B11R0.155 CCCC(C)C(=O)CCSCC 1458a_100000230768_100000766640 [0,2,0,0,0,0|2,0,0]=4 13432 B11R0.155 CCCC(C)C(C)NCCCF 270004a_100015189416_100011216282 [0,2,0,0,0,0|2,0,0]=4 13433 B11R0.155 CCCC(C)C(C)NCCCO 270004a_100000182051_100011216282 [0,2,0,0,0,0|2,0,0]=4 13434 B11R0.155 CCCC(C)C(C)NCCOC 270004a_100000209980_100011216282 [0,2,0,0,0,0|2,0,0]=4 13435 B11R0.155 CCCC(C)C(C)NCCSC 270004a_100020590264_100011216282 [0,2,0,0,0,0|2,0,0]=4 13436 B11R0.155 CCCC(C)C(C)OCCC#N 7a_100000708338_100000184422 [0,2,0,0,0,0|1,0,1]=4 13437 B11R0.155 CCCC(C)C(C)OCCCF 34a_100000708338_100011934791 [0,2,0,0,0,0|1,0,0]=3 13438 B11R0.155 CCCC(C)C(C)OCCCF 7a_100000708338_100011934791 [0,2,0,0,0,0|1,0,0]=3 13439 B11R0.155 CCCC(C)C(C)OCCCO 34a_100000708338_100000230001 [0,2,0,0,0,0|1,0,0]=3 13440 B11R0.155 CCCC(C)C(C)OCCCO 7a_100000708338_100011215043 [0,2,0,0,0,0|1,0,0]=3 13441 B11R0.155 CCCC(C)C(C)OCCOC 34a_100000708338_100011201679 [0,2,0,0,0,0|1,0,0]=3 13442 B11R0.155 CCCC(C)C(C)OCCOC 7a_100000708338_100000233755 [0,2,0,0,0,0|1,0,0]=3 13443 B11R0.155 CCCC(C)C(C)OCCSC 34a_100000708338_100000212216 [0,2,0,0,0,0|1,0,0]=3 13444 B11R0.155 CCCC(C)C(C)OCCSC 7a_100000708338_100000212216 [0,2,0,0,0,0|1,0,0]=3 13445 B11R0.155 CCCC(C)N(C)CCCCO 2230a_100000717598_100000766640 [0,2,0,0,0,0|2,0,0]=4 13446 B11R0.155 CCCC(C)N(C)CCCCO 269982a_100000717598_100000766640 [0,2,0,0,0,0|2,0,0]=4 13447 B11R0.155 CCCC(C)N(C)CCCCO 270004a_100000717598_100000211909 [0,2,0,0,0,0|2,0,0]=4 13448 B11R0.155 CCCC(C)N(C)CCCOC 2230a_100000224831_100000766640 [0,2,0,0,0,0|2,0,0]=4 13449 B11R0.155 CCCC(C)N(C)CCCOC 269982a_100000224831_100000766640 [0,2,0,0,0,0|2,0,0]=4 13450 B11R0.155 CCCC(C)N(C)CCCOC 270004a_100000224831_100000211909 [0,2,0,0,0,0|2,0,0]=4 13451 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000210906_100000210326 [0,2,0,0,0,0|1,0,0]=3 13452 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000212188_100000766640 [0,2,0,0,0,0|1,0,0]=3 13453 B11R0.155 CCCCCC(=O)C(C)CCO 1458a_100000212188_100009893172 [0,2,0,0,0,0|2,0,0]=4 13454 B11R0.155 CCCCCC(=O)C(C)COC 1458a_100000212188_100000765312 [0,2,0,0,0,0|2,0,0]=4 13455 B11R0.155 CCCCCC(=O)C(C)COC 1458a_100000751857_100000210326 [0,2,0,0,0,0|2,0,0]=4 13456 B11R0.155 CCCCCC(=O)C(C)CSC 1458a_100000753918_100000210326 [0,2,0,0,0,0|2,0,0]=4 13457 B11R0.155 CCCCCC(=O)C(C)OCC 1458a_100000739345_100000210326 [0,2,0,0,0,0|2,0,0]=4 13458 B11R0.155 CCCCCC(=O)C(C)SCC 1458a_100000230601_100000210326 [0,2,0,0,0,0|2,0,0]=4 13459 B11R0.155 CCCCCC(=O)N(C)CCC 11a_100000747261_100000212188 [0,2,0,0,0,0|2,0,0]=4 13460 B11R0.155 CCCCCC(=O)N(C)CCC 1626a_100000747261_100000212188 [0,2,0,0,0,0|2,0,0]=4 13461 B11R0.155 CCCCCC(=O)N(C)CCC 240690a_100000747261_100000212188 [0,2,0,0,0,0|2,0,0]=4 13462 B11R0.155 CCCCCC(=O)N(C)CCC 527a_100000747261_100000212188 [0,2,0,0,0,0|2,0,0]=4 13463 B11R0.155 CCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210326 [0,2,0,0,0,0|1,0,0]=3 13464 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100000211992_200011218191 [0,2,0,0,0,0|1,0,1]=4 13465 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100011215998_100000210303 [0,2,0,0,0,0|1,0,1]=4 13466 B11R0.155 CCCCCC(C)N(C)CCC 2230a_100000747261_200011218191 [0,2,0,0,0,0|2,0,0]=4 13467 B11R0.155 CCCCCC(C)N(C)CCC 269982a_100000747261_200011218191 [0,2,0,0,0,0|2,0,0]=4 13468 B11R0.155 CCCCCC(C)N(C)CCC 270004a_100000747261_100000211708 [0,2,0,0,0,0|2,0,0]=4 13469 B11R0.155 CCCCCN(C)C(=O)CCC 11a_100000223495_100000211992 [0,2,0,0,0,0|1,0,1]=4 13470 B11R0.155 CCCCCN(C)C(=O)CCC 1626a_100000223495_100000211992 [0,2,0,0,0,0|1,0,1]=4 13471 B11R0.155 CCCCCN(C)C(=O)CCC 240690a_100000223495_100000211992 [0,2,0,0,0,0|1,0,1]=4 13472 B11R0.155 CCCCCN(C)C(=O)CCC 527a_100000223495_100000211992 [0,2,0,0,0,0|1,0,1]=4 13473 B11R0.155 CCCCCN(C)C(C)CCC 2230a_100000223495_100000766640 [0,2,0,0,0,0|1,0,0]=3 13474 B11R0.155 CCCCCN(C)C(C)CCC 269982a_100000223495_100000766640 [0,2,0,0,0,0|1,0,0]=3 13475 B11R0.155 CCCCCN(C)C(C)CCC 270004a_100000223495_100000211909 [0,2,0,0,0,0|1,0,0]=3 13476 B11R0.155 CCCCCN(C)C(C)CCO 2230a_100000223495_100009893172 [0,2,0,0,0,0|2,0,0]=4 13477 B11R0.155 CCCCCN(C)C(C)CCO 2230a_100000731037_100000210326 [0,2,0,0,0,0|2,0,0]=4 13478 B11R0.155 CCCCCN(C)C(C)CCO 269982a_100000223495_100009893172 [0,2,0,0,0,0|2,0,0]=4 13479 B11R0.155 CCCCCN(C)C(C)CCO 269982a_100000731037_100000210215 [0,2,0,0,0,0|2,0,0]=4 13480 B11R0.155 CCCCCN(C)C(C)COC 2230a_100000223495_100000765312 [0,2,0,0,0,0|2,0,0]=4 13481 B11R0.155 CCCCCN(C)C(C)COC 269982a_100000223495_100000765312 [0,2,0,0,0,0|2,0,0]=4 13482 B11R0.155 CCCCCN(C)C(C)COC 270004a_100000223495_100000749346 [0,2,0,0,0,0|2,0,0]=4 13483 B11R0.155 CCCCCN(C)C(C)CSC 270004a_100000223495_100011216314 [0,2,0,0,0,0|2,0,0]=4 13484 B11R0.155 CCCCNC(=O)C(C)CCC 11a_100000102301_100000210906 [0,2,0,0,0,0|1,0,1]=4 13485 B11R0.155 CCCCNC(=O)C(C)CCC 1626a_100000102301_100000210906 [0,2,0,0,0,0|1,0,1]=4 13486 B11R0.155 CCCCNC(=O)C(C)CCC 240690a_100000102301_100000210906 [0,2,0,0,0,0|1,0,1]=4 13487 B11R0.155 CCCCNC(=O)C(C)CCC 527a_100000102301_100000210906 [0,2,0,0,0,0|1,0,1]=4 13488 B11R0.155 CCCCNC(=O)[C@@H](O)CCC 240690a_100000102301_100009822183 [0,2,0,0,0,0|1,0,1]=4 13489 B11R0.155 CCCCNC(C)C(C)CCC 270004a_100000102301_100011216282 [0,2,0,0,0,0|1,0,0]=3 13490 B11R0.155 CCCCOC(=O)C(C)NCC 2230a_100015525214_100000759602 [0,2,0,0,0,0|1,0,1]=4 13491 B11R0.155 CCCCOC(=O)C(C)OCC 34a_100000038973_100000210202 [0,2,0,0,0,0|1,0,1]=4 13492 B11R0.155 CCCCOC(=O)C(C)OCC 34a_100121572206_100000759602 [0,2,0,0,0,0|1,0,1]=4 13493 B11R0.155 CCCCOC(=O)C(C)OCC 7a_100000038973_100000210202 [0,2,0,0,0,0|1,0,1]=4 13494 B11R0.155 CCCCOC(=O)C(C)SCC 62a_100000210202_100000759602 [0,2,0,0,0,0|1,0,1]=4 13495 B11R0.155 CCCCOC(=O)C(C)SCC 62a_100000759602_100000210202 [0,2,0,0,0,0|1,0,1]=4 13496 B11R0.155 CCCCOC(C)C(=O)NCC 34a_100000210227_100000230173 [0,2,0,0,0,0|1,0,1]=4 13497 B11R0.155 CCCCOC(C)C(=O)NCC 7a_100000210227_100000230173 [0,2,0,0,0,0|1,0,1]=4 13498 B11R0.155 CCCCOC(C)C(=O)OCC 34a_100000210227_100011216346 [0,2,0,0,0,0|1,0,1]=4 13499 B11R0.155 CCCCOC(C)C(=O)OCC 7a_100000210227_100011216346 [0,2,0,0,0,0|1,0,1]=4 13500 B11R0.155 CCCCOC(C)C(C)CCC 34a_100000708338_100000210210 [0,2,0,0,0,0|0,0,0]=2 13501 B11R0.155 CCCCOC(C)C(C)CCC 7a_100000708338_100000210211 [0,2,0,0,0,0|0,0,0]=2 13502 B11R0.155 CCCCOC(F)C(=O)OCC 34a_100000210227_100000760018 [0,2,0,0,0,0|1,0,1]=4 13503 B11R0.155 CCCCOC(F)C(=O)OCC 7a_100000210227_100000040065 [0,2,0,0,0,0|1,0,1]=4 13504 B11R0.155 CCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210211 [0,2,0,0,0,0|1,0,1]=4 13505 B11R0.155 CCCCSC(C)C(=O)CCC 1458a_100000191163_100000210303 [0,2,0,0,0,0|0,1,1]=4 13506 B11R0.155 CCCOCC(=O)C(C)CCC 1458a_100000745993_100000766640 [0,2,0,0,0,0|2,0,0]=4 13507 B11R0.155 CCCSCC(=O)C(C)CCC 1458a_100000217233_100000766640 [0,2,0,0,0,0|2,0,0]=4 13508 B11R0.155 CCC[C@H](O)C(=O)CCCCF 1458a_100009822183_100000729493 [0,2,0,0,0,0|2,0,0]=4 13509 B11R0.155 CCC[C@H](O)C(=O)CCCCO 1458a_100009822183_100000210776 [0,2,0,0,0,0|2,0,0]=4 13510 B11R0.155 CCC[C@H](O)C(=O)CCCOC 1458a_100009822183_100000740836 [0,2,0,0,0,0|2,0,0]=4 13511 B11R0.155 CCC[C@H](O)C(=O)CCOCC 1458a_100009822183_100011215890 [0,2,0,0,0,0|2,0,0]=4 13512 B11R0.155 CCC[C@H](O)C(=O)CCSCC 1458a_100009822183_100000757381 [0,2,0,0,0,0|2,0,0]=4 13513 B11R0.161 C#CC(CCC)OC/C=C\CC 34a_200011217317_100103147603 [0,2,0,0,0,0|0,0,2]=4 13514 B11R0.161 C#CC(CCC)OC/C=C\CC 7a_200011217317_100103147603 [0,2,0,0,0,0|0,0,2]=4 13515 B11R0.161 C#CC(CCC)OCC#CCC 34a_200011217317_100009813939 [0,2,0,0,0,0|0,0,2]=4 13516 B11R0.161 C#CC(CCC)OCC#CCC 7a_200011217317_100009813939 [0,2,0,0,0,0|0,0,2]=4 13517 B11R0.161 C#CC(CCC)OCCCC#N 7a_200011217317_100000687738 [0,2,0,0,0,0|1,0,1]=4 13518 B11R0.161 C#CC(CCC)OCCCC=C 34a_200011217317_100000757094 [0,2,0,0,0,0|0,0,2]=4 13519 B11R0.161 C#CC(CCC)OCCCC=C 7a_200011217317_100000757094 [0,2,0,0,0,0|0,0,2]=4 13520 B11R0.161 C#CC(CCC)OCCCC=O 7a_200011217317_200011292268 [0,2,0,0,0,0|1,0,1]=4 13521 B11R0.161 C#CC(CCC)OCCCCC 34a_200011217317_100000718602 [0,2,0,0,0,0|0,0,0]=2 13522 B11R0.161 C#CC(CCC)OCCCCC 7a_200011217317_100000210326 [0,2,0,0,0,0|0,0,0]=2 13523 B11R0.161 C#CC(CCC)OCCCCF 34a_200011217317_100000729493 [0,2,0,0,0,0|1,0,0]=3 13524 B11R0.161 C#CC(CCC)OCCCCF 7a_200011217317_100000729493 [0,2,0,0,0,0|1,0,0]=3 13525 B11R0.161 C#CC(CCC)OCCCCO 34a_200011217317_100011216708 [0,2,0,0,0,0|1,0,0]=3 13526 B11R0.161 C#CC(CCC)OCCCCO 7a_200011217317_100000210776 [0,2,0,0,0,0|1,0,0]=3 13527 B11R0.161 C#CC(CCC)OCCCOC 34a_200011217317_100000740836 [0,2,0,0,0,0|1,0,0]=3 13528 B11R0.161 C#CC(CCC)OCCCOC 7a_200011217317_100000740836 [0,2,0,0,0,0|1,0,0]=3 13529 B11R0.161 C#CC(CCC)OCCOCC 34a_200011217317_100000210147 [0,2,0,0,0,0|1,0,0]=3 13530 B11R0.161 C#CC(CCC)OCCOCC 7a_200011217317_100011215890 [0,2,0,0,0,0|1,0,0]=3 13531 B11R0.161 C#CC(CCC)OCCSCC 34a_200011217317_100000757381 [0,2,0,0,0,0|1,0,0]=3 13532 B11R0.161 C#CC(CCC)OCCSCC 7a_200011217317_100000757381 [0,2,0,0,0,0|1,0,0]=3 13533 B11R0.161 C#CCC(CC)OCCCCC 34a_200011217983_100000718602 [0,2,0,0,0,0|0,0,2]=4 13534 B11R0.161 C#CCC(CC)OCCCCC 7a_200011217983_100000210326 [0,2,0,0,0,0|0,0,2]=4 13535 B11R0.161 C#CCCCOC(C#C)CCC 34a_200011217317_100000695029 [0,2,0,0,0,0|0,0,2]=4 13536 B11R0.161 C#CCCCOC(C#C)CCC 7a_200011217317_100011215417 [0,2,0,0,0,0|0,0,2]=4 13537 B11R0.161 C#CCCCOC(C#N)CCC 34a_100000686963_100000695029 [0,2,0,0,0,0|0,0,2]=4 13538 B11R0.161 C#CCCCOC(C#N)CCC 7a_100000686963_100011215417 [0,2,0,0,0,0|0,0,2]=4 13539 B11R0.161 C#CCCCOC(C=C)CCC 34a_100011216692_100000695029 [0,2,0,0,0,0|0,0,2]=4 13540 B11R0.161 C#CCCCOC(C=C)CCC 7a_100011216692_100011215417 [0,2,0,0,0,0|0,0,2]=4 13541 B11R0.161 C#CCCCOC(CC)CCC 34a_100000687864_100000695029 [0,2,0,0,0,0|0,0,2]=4 13542 B11R0.161 C#CCCCOC(CC)CCC 7a_100000215630_100011219200 [0,2,0,0,0,0|0,0,2]=4 13543 B11R0.161 C#CCCCOC(CC)CCC 7a_100000687864_100011215417 [0,2,0,0,0,0|0,0,2]=4 13544 B11R0.161 C=CC(CCC)OC/C=C\CC 34a_100011216692_100103147603 [0,2,0,0,0,0|0,0,2]=4 13545 B11R0.161 C=CC(CCC)OC/C=C\CC 7a_100011216692_100103147603 [0,2,0,0,0,0|0,0,2]=4 13546 B11R0.161 C=CC(CCC)OCC#CCC 34a_100011216692_100009813939 [0,2,0,0,0,0|0,0,2]=4 13547 B11R0.161 C=CC(CCC)OCC#CCC 7a_100011216692_100009813939 [0,2,0,0,0,0|0,0,2]=4 13548 B11R0.161 C=CC(CCC)OCCCC#N 7a_100011216692_100000687738 [0,2,0,0,0,0|1,0,1]=4 13549 B11R0.161 C=CC(CCC)OCCCC=O 7a_100011216692_200011292268 [0,2,0,0,0,0|1,0,1]=4 13550 B11R0.161 C=CC(CCC)OCCCCC 34a_100011216692_100000718602 [0,2,0,0,0,0|0,0,0]=2 13551 B11R0.161 C=CC(CCC)OCCCCC 7a_100011216692_100000210326 [0,2,0,0,0,0|0,0,0]=2 13552 B11R0.161 C=CC(CCC)OCCCCF 34a_100011216692_100000729493 [0,2,0,0,0,0|1,0,0]=3 13553 B11R0.161 C=CC(CCC)OCCCCF 7a_100011216692_100000729493 [0,2,0,0,0,0|1,0,0]=3 13554 B11R0.161 C=CC(CCC)OCCCCO 34a_100011216692_100011216708 [0,2,0,0,0,0|1,0,0]=3 13555 B11R0.161 C=CC(CCC)OCCCCO 7a_100011216692_100000210776 [0,2,0,0,0,0|1,0,0]=3 13556 B11R0.161 C=CC(CCC)OCCCOC 34a_100011216692_100000740836 [0,2,0,0,0,0|1,0,0]=3 13557 B11R0.161 C=CC(CCC)OCCCOC 7a_100011216692_100000740836 [0,2,0,0,0,0|1,0,0]=3 13558 B11R0.161 C=CC(CCC)OCCOCC 34a_100011216692_100000210147 [0,2,0,0,0,0|1,0,0]=3 13559 B11R0.161 C=CC(CCC)OCCOCC 7a_100011216692_100011215890 [0,2,0,0,0,0|1,0,0]=3 13560 B11R0.161 C=CC(CCC)OCCSCC 34a_100011216692_100000757381 [0,2,0,0,0,0|1,0,0]=3 13561 B11R0.161 C=CC(CCC)OCCSCC 7a_100011216692_100000757381 [0,2,0,0,0,0|1,0,0]=3 13562 B11R0.161 C=CC(CCCCCC)OCC 34a_200011215977_100000210202 [0,2,0,0,0,0|2,0,0]=4 13563 B11R0.161 C=CC(CCCCCC)OCC 7a_200011215977_100000210202 [0,2,0,0,0,0|2,0,0]=4 13564 B11R0.161 C=CCC(C=C)OCCCCC 34a_100000038011_100000718602 [0,2,0,0,0,0|0,0,2]=4 13565 B11R0.161 C=CCC(C=C)OCCCCC 7a_100000038011_100000210326 [0,2,0,0,0,0|0,0,2]=4 13566 B11R0.161 C=CCCCOC(C#N)CCC 34a_100000686963_100000757094 [0,2,0,0,0,0|0,0,2]=4 13567 B11R0.161 C=CCCCOC(C#N)CCC 7a_100000686963_100000757094 [0,2,0,0,0,0|0,0,2]=4 13568 B11R0.161 C=CCCCOC(C=C)CCC 34a_100011216692_100000757094 [0,2,0,0,0,0|0,0,2]=4 13569 B11R0.161 C=CCCCOC(C=C)CCC 7a_100011216692_100000757094 [0,2,0,0,0,0|0,0,2]=4 13570 B11R0.161 C=CCCCOC(CC)CCC 34a_100000687864_100000757094 [0,2,0,0,0,0|0,0,2]=4 13571 B11R0.161 C=CCCCOC(CC)CCC 7a_100000687864_100000757094 [0,2,0,0,0,0|0,0,2]=4 13572 B11R0.161 C=CCCCOC(CC)CCC 7a_100000758997_100011219200 [0,2,0,0,0,0|0,0,2]=4 13573 B11R0.161 CC#CC(CC)OCCCCC 34a_200011219922_100000718602 [0,2,0,0,0,0|0,0,2]=4 13574 B11R0.161 CC#CC(CC)OCCCCC 7a_200011219922_100000210326 [0,2,0,0,0,0|0,0,2]=4 13575 B11R0.161 CC/C=C\COC(C#N)CCC 34a_100000686963_100103147603 [0,2,0,0,0,0|0,0,2]=4 13576 B11R0.161 CC/C=C\COC(C#N)CCC 7a_100000686963_100103147603 [0,2,0,0,0,0|0,0,2]=4 13577 B11R0.161 CC/C=C\COC(CC)CCC 34a_100000687864_100103147603 [0,2,0,0,0,0|0,0,2]=4 13578 B11R0.161 CC/C=C\COC(CC)CCC 7a_100000687864_100103147603 [0,2,0,0,0,0|0,0,2]=4 13579 B11R0.161 CCC#CCOC(C#N)CCC 34a_100000686963_100009813939 [0,2,0,0,0,0|0,0,2]=4 13580 B11R0.161 CCC#CCOC(C#N)CCC 7a_100000686963_100009813939 [0,2,0,0,0,0|0,0,2]=4 13581 B11R0.161 CCC#CCOC(CC)CCC 34a_100000687864_100009813939 [0,2,0,0,0,0|0,0,2]=4 13582 B11R0.161 CCC#CCOC(CC)CCC 7a_100000687864_100009813939 [0,2,0,0,0,0|0,0,2]=4 13583 B11R0.161 CCC(COC)OCCCCF 7a_200011214946_100000729493 [0,2,0,0,0,0|2,0,0]=4 13584 B11R0.161 CCC(COC)OCCCCO 7a_200011214946_100000210776 [0,2,0,0,0,0|2,0,0]=4 13585 B11R0.161 CCC(COC)OCCCOC 7a_200011214946_100000740836 [0,2,0,0,0,0|2,0,0]=4 13586 B11R0.161 CCCC(C#N)OCCCC#N 7a_100000686963_100000687738 [0,2,0,0,0,0|1,0,1]=4 13587 B11R0.161 CCCC(C#N)OCCCC=O 7a_100000686963_200011292268 [0,2,0,0,0,0|1,0,1]=4 13588 B11R0.161 CCCC(C#N)OCCCCF 34a_100000686963_100000729493 [0,2,0,0,0,0|1,0,0]=3 13589 B11R0.161 CCCC(C#N)OCCCCF 7a_100000686963_100000729493 [0,2,0,0,0,0|1,0,0]=3 13590 B11R0.161 CCCC(C#N)OCCCCO 34a_100000686963_100011216708 [0,2,0,0,0,0|1,0,0]=3 13591 B11R0.161 CCCC(C#N)OCCCCO 7a_100000686963_100000210776 [0,2,0,0,0,0|1,0,0]=3 13592 B11R0.161 CCCC(C#N)OCCCOC 34a_100000686963_100000740836 [0,2,0,0,0,0|1,0,0]=3 13593 B11R0.161 CCCC(C#N)OCCCOC 7a_100000686963_100000740836 [0,2,0,0,0,0|1,0,0]=3 13594 B11R0.161 CCCC(C#N)OCCOCC 34a_100000686963_100000210147 [0,2,0,0,0,0|1,0,0]=3 13595 B11R0.161 CCCC(C#N)OCCOCC 7a_100000686963_100011215890 [0,2,0,0,0,0|1,0,0]=3 13596 B11R0.161 CCCC(C#N)OCCSCC 34a_100000686963_100000757381 [0,2,0,0,0,0|1,0,0]=3 13597 B11R0.161 CCCC(C#N)OCCSCC 7a_100000686963_100000757381 [0,2,0,0,0,0|1,0,0]=3 13598 B11R0.161 CCCC(CC)NCCCCF 2230a_100000747048_100000729493 [0,2,0,0,0,0|2,0,0]=4 13599 B11R0.161 CCCC(CC)NCCCCO 2230a_100000747048_100000210776 [0,2,0,0,0,0|2,0,0]=4 13600 B11R0.161 CCCC(CC)NCCCCO 270004a_100000750430_100000687865 [0,2,0,0,0,0|2,0,0]=4 13601 B11R0.161 CCCC(CC)NCCCOC 2230a_100000747048_100000740836 [0,2,0,0,0,0|2,0,0]=4 13602 B11R0.161 CCCC(CC)NCCCOC 270004a_100150723488_100000687865 [0,2,0,0,0,0|2,0,0]=4 13603 B11R0.161 CCCC(CC)NCCCSC 270004a_100000749238_100000687865 [0,2,0,0,0,0|2,0,0]=4 13604 B11R0.161 CCCC(CC)NCCOCC 2230a_100000747048_100011215890 [0,2,0,0,0,0|2,0,0]=4 13605 B11R0.161 CCCC(CC)NCCOCC 270004a_102516460346_100000687865 [0,2,0,0,0,0|2,0,0]=4 13606 B11R0.161 CCCC(CC)NCCSCC 2230a_100000747048_100000757381 [0,2,0,0,0,0|2,0,0]=4 13607 B11R0.161 CCCC(CC)NCCSCC 270004a_100000106463_100000687865 [0,2,0,0,0,0|2,0,0]=4 13608 B11R0.161 CCCC(CC)OCCCC#N 7a_100000687864_100000687738 [0,2,0,0,0,0|1,0,1]=4 13609 B11R0.161 CCCC(CC)OCCCC=O 7a_100000687864_200011292268 [0,2,0,0,0,0|1,0,1]=4 13610 B11R0.161 CCCC(CC)OCCCCCl 7a_100000210776_100011219200 [0,2,0,0,0,0|1,0,0]=3 13611 B11R0.161 CCCC(CC)OCCCCF 34a_100000687864_100000729493 [0,2,0,0,0,0|1,0,0]=3 13612 B11R0.161 CCCC(CC)OCCCCF 7a_100000687864_100000729493 [0,2,0,0,0,0|1,0,0]=3 13613 B11R0.161 CCCC(CC)OCCCCF 7a_100011995726_100011219200 [0,2,0,0,0,0|1,0,0]=3 13614 B11R0.161 CCCC(CC)OCCCCO 34a_100000687864_100011216708 [0,2,0,0,0,0|1,0,0]=3 13615 B11R0.161 CCCC(CC)OCCCCO 7a_100000687864_100000210776 [0,2,0,0,0,0|1,0,0]=3 13616 B11R0.161 CCCC(CC)OCCCOC 34a_100000687864_100000740836 [0,2,0,0,0,0|1,0,0]=3 13617 B11R0.161 CCCC(CC)OCCCOC 7a_100000687864_100000740836 [0,2,0,0,0,0|1,0,0]=3 13618 B11R0.161 CCCC(CC)OCCCSC 7a_100000690336_100011219200 [0,2,0,0,0,0|1,0,0]=3 13619 B11R0.161 CCCC(CC)OCCOCC 34a_100000687864_100000210147 [0,2,0,0,0,0|1,0,0]=3 13620 B11R0.161 CCCC(CC)OCCOCC 7a_100000210136_100011219200 [0,2,0,0,0,0|1,0,0]=3 13621 B11R0.161 CCCC(CC)OCCOCC 7a_100000687864_100011215890 [0,2,0,0,0,0|1,0,0]=3 13622 B11R0.161 CCCC(CC)OCCSCC 34a_100000687864_100000757381 [0,2,0,0,0,0|1,0,0]=3 13623 B11R0.161 CCCC(CC)OCCSCC 7a_100000212035_100011219200 [0,2,0,0,0,0|1,0,0]=3 13624 B11R0.161 CCCC(CC)OCCSCC 7a_100000687864_100000757381 [0,2,0,0,0,0|1,0,0]=3 13625 B11R0.161 CCCC(CC)SCCCCF 62a_100000729493_100011219200 [0,2,0,0,0,0|1,1,0]=4 13626 B11R0.161 CCCC(CC)SCCCCF 62a_100011219200_100000729493 [0,2,0,0,0,0|1,1,0]=4 13627 B11R0.161 CCCC(CC)SCCCCO 62a_100000210776_100011219200 [0,2,0,0,0,0|1,1,0]=4 13628 B11R0.161 CCCC(CC)SCCCCO 62a_100011219200_100000210776 [0,2,0,0,0,0|1,1,0]=4 13629 B11R0.161 CCCC(CC)SCCCOC 62a_100000709357_100011219200 [0,2,0,0,0,0|1,1,0]=4 13630 B11R0.161 CCCC(CC)SCCCOC 62a_100011219200_100000709357 [0,2,0,0,0,0|1,1,0]=4 13631 B11R0.161 CCCC(CC)SCCOCC 62a_100000210147_100011219200 [0,2,0,0,0,0|1,1,0]=4 13632 B11R0.161 CCCC(CC)SCCOCC 62a_100011219200_100011215890 [0,2,0,0,0,0|1,1,0]=4 13633 B11R0.161 CCCC(CC)SCCSCC 62a_100000757381_100011219200 [0,2,0,0,0,0|1,1,0]=4 13634 B11R0.161 CCCC(CC)SCCSCC 62a_100011219200_100000757381 [0,2,0,0,0,0|1,1,0]=4 13635 B11R0.161 CCCCCCC(CC)NCC 270004a_100015525214_100011219640 [0,2,0,0,0,0|2,0,0]=4 13636 B11R0.161 CCCCCCC(CC)OCC 34a_100011215785_100000210202 [0,2,0,0,0,0|2,0,0]=4 13637 B11R0.161 CCCCCCC(CC)OCC 7a_100011215785_100000210202 [0,2,0,0,0,0|2,0,0]=4 13638 B11R0.161 CCCCCCC(CCC)NC 270004a_106832991635_200011215359 [0,2,0,0,0,0|1,0,0]=3 13639 B11R0.161 CCCCCCC(CCC)OC 34a_200011215193_200000210301 [0,2,0,0,0,0|1,0,0]=3 13640 B11R0.161 CCCCCCC(CCC)OC 7a_200011215193_200000210301 [0,2,0,0,0,0|1,0,0]=3 13641 B11R0.161 CCCCCCC(CCC)O[13CH3] 34a_200011215193_200025704644 [0,2,0,0,0,0|1,0,0]=3 13642 B11R0.161 CCCCCCC(CCC)O[13CH3] 7a_200011215193_200025704644 [0,2,0,0,0,0|1,0,0]=3 13643 B11R0.161 CCCCCCN(CC)CCC 2230a_100000226822_100000210314 [0,2,0,0,0,0|2,0,0]=4 13644 B11R0.161 CCCCCCN(CC)CCC 269982a_100000226822_100000210757 [0,2,0,0,0,0|2,0,0]=4 13645 B11R0.161 CCCCCNC(CC)CCC 2230a_100000747048_100000210326 [0,2,0,0,0,0|1,0,0]=3 13646 B11R0.161 CCCCCNC(CC)CCC 270004a_100000209983_100000687865 [0,2,0,0,0,0|1,0,0]=3 13647 B11R0.161 CCCCCNC(CC)COC 2230a_100000757820_100000210326 [0,2,0,0,0,0|2,0,0]=4 13648 B11R0.161 CCCCCNC(CC)COC 270004a_100000209983_100000757811 [0,2,0,0,0,0|2,0,0]=4 13649 B11R0.161 CCCCCNC(CO)COC 2230a_100000724102_100000210326 [0,2,0,0,0,0|2,0,0]=4 13650 B11R0.161 CCCCCNC(CO)COC 34a_100000724102_100000718602 [0,2,0,0,0,0|2,0,0]=4 13651 B11R0.161 CCCCCN[C@H](CO)CCC 2230a_100000732646_100000210326 [0,2,0,0,0,0|1,0,0]=3 13652 B11R0.161 CCCCCN[C@H](CO)CCC 34a_100000732646_100000718602 [0,2,0,0,0,0|1,0,0]=3 13653 B11R0.161 CCCCCOC(C#N)CCC 34a_100000686963_100000718602 [0,2,0,0,0,0|0,0,0]=2 13654 B11R0.161 CCCCCOC(C#N)CCC 7a_100000686963_100000210326 [0,2,0,0,0,0|0,0,0]=2 13655 B11R0.161 CCCCCOC(CC)CCC 34a_100000687864_100000718602 [0,2,0,0,0,0|0,0,0]=2 13656 B11R0.161 CCCCCOC(CC)CCC 7a_100000210253_100011219200 [0,2,0,0,0,0|0,0,0]=2 13657 B11R0.161 CCCCCOC(CC)CCC 7a_100000687864_100000210326 [0,2,0,0,0,0|0,0,0]=2 13658 B11R0.161 CCCCCOC(CC)COC 7a_200011214946_100000210326 [0,2,0,0,0,0|1,0,0]=3 13659 B11R0.161 CCCCCOC(CCl)COC 34a_100011215053_100000718602 [0,2,0,0,0,0|1,0,0]=3 13660 B11R0.161 CCCCCOC(CN)COC 34a_100000756049_100000718602 [0,2,0,0,0,0|1,0,0]=3 13661 B11R0.161 CCCCCSC(CC)CCC 62a_100000210326_100011219200 [0,2,0,0,0,0|0,1,0]=3 13662 B11R0.161 CCCCCSC(CC)CCC 62a_100011219200_100000210326 [0,2,0,0,0,0|0,1,0]=3 13663 B11R0.161 CCCCNCC(CC)OCC 2230a_100015183923_100000210211 [0,2,0,0,0,0|2,0,0]=4 13664 B11R0.161 CCCCNCC(CC)OCC 34a_100015183923_100000210210 [0,2,0,0,0,0|2,0,0]=4 13665 B11R0.161 CCCCOCN(CC)CCC 2230a_100000226822_100011995733 [0,2,0,0,0,0|1,0,0]=3 13666 B11R0.161 CCCCOCN(CC)CCC 269982a_100000226822_100011995733 [0,2,0,0,0,0|1,0,0]=3 13667 B11R0.161 CCCCOCN(CC)CCO 2230a_100000210973_100011995733 [0,2,0,0,0,0|2,0,0]=4 13668 B11R0.161 CCCCOCN(CC)CCO 269982a_100000210973_100011995733 [0,2,0,0,0,0|2,0,0]=4 13669 B11R0.161 CCCN(CC)COCCOC 2230a_100000226822_100000231047 [0,2,0,0,0,0|2,0,0]=4 13670 B11R0.161 CCCN(CC)COCCOC 269982a_100000226822_100000231047 [0,2,0,0,0,0|2,0,0]=4 13671 B11R0.161 CCCOCCC(CCC)SC 34a_100000032865_100000210303 [0,2,0,0,0,0|2,0,0]=4 13672 B11R0.161 CCCOCCC(CCC)SC 7a_100000032865_100000210303 [0,2,0,0,0,0|2,0,0]=4 13673 B11R0.161 CCC[C@@H](CO)NCCCCF 2230a_100000732646_100000729493 [0,2,0,0,0,0|2,0,0]=4 13674 B11R0.161 CCC[C@@H](CO)NCCCCF 34a_100000732646_100000729493 [0,2,0,0,0,0|2,0,0]=4 13675 B11R0.161 CCC[C@@H](CO)NCCCCO 2230a_100000732646_100000210776 [0,2,0,0,0,0|2,0,0]=4 13676 B11R0.161 CCC[C@@H](CO)NCCCCO 34a_100000732646_100011216708 [0,2,0,0,0,0|2,0,0]=4 13677 B11R0.161 CCC[C@@H](CO)NCCCOC 2230a_100000732646_100000740836 [0,2,0,0,0,0|2,0,0]=4 13678 B11R0.161 CCC[C@@H](CO)NCCCOC 34a_100000732646_100000740836 [0,2,0,0,0,0|2,0,0]=4 13679 B11R0.161 CCC[C@@H](CO)NCCOCC 2230a_100000732646_100011215890 [0,2,0,0,0,0|2,0,0]=4 13680 B11R0.161 CCC[C@@H](CO)NCCOCC 34a_100000732646_100000210147 [0,2,0,0,0,0|2,0,0]=4 13681 B11R0.161 CCC[C@@H](CO)NCCSCC 2230a_100000732646_100000757381 [0,2,0,0,0,0|2,0,0]=4 13682 B11R0.161 CCC[C@@H](CO)NCCSCC 34a_100000732646_100000757381 [0,2,0,0,0,0|2,0,0]=4 13683 B11R0.161 CCOCCOC(CC)COC 7a_200011214946_100011215890 [0,2,0,0,0,0|2,0,0]=4 13684 B11R0.161 CCOCCOC(CCl)COC 34a_100011215053_100000210147 [0,2,0,0,0,0|2,0,0]=4 13685 B11R0.161 CCOCCOC(CN)COC 34a_100000756049_100000210147 [0,2,0,0,0,0|2,0,0]=4 13686 B11R0.161 CCSCCOC(CC)COC 7a_200011214946_100000757381 [0,2,0,0,0,0|2,0,0]=4 13687 B11R0.161 CCSCCOC(CCl)COC 34a_100011215053_100000757381 [0,2,0,0,0,0|2,0,0]=4 13688 B11R0.161 CCSCCOC(CN)COC 34a_100000756049_100000757381 [0,2,0,0,0,0|2,0,0]=4 13689 B11R0.161 COCC(CCl)OCCCCF 34a_100011215053_100000729493 [0,2,0,0,0,0|2,0,0]=4 13690 B11R0.161 COCC(CCl)OCCCCO 34a_100011215053_100011216708 [0,2,0,0,0,0|2,0,0]=4 13691 B11R0.161 COCC(CN)OCCCCF 34a_100000756049_100000729493 [0,2,0,0,0,0|2,0,0]=4 13692 B11R0.161 COCC(CN)OCCCCO 34a_100000756049_100011216708 [0,2,0,0,0,0|2,0,0]=4 13693 B11R0.161 COCCCOC(CCl)COC 34a_100011215053_100000740836 [0,2,0,0,0,0|2,0,0]=4 13694 B11R0.161 COCCCOC(CN)COC 34a_100000756049_100000740836 [0,2,0,0,0,0|2,0,0]=4 13695 B11R0.174 C=CC(C)COCC(C)CCC 34a_100011215527_100011216630 [0,2,0,0,0,0|0,0,2]=4 13696 B11R0.174 C=CC(C)COCC(C)CCC 7a_100011215527_100011216630 [0,2,0,0,0,0|0,0,2]=4 13697 B11R0.174 C=CC(O)COCC(C)CCC 34a_100000688023_100000730141 [0,2,0,0,0,0|0,0,2]=4 13698 B11R0.174 C=CC(O)COCC(C)CCC 7a_100000688023_100000730141 [0,2,0,0,0,0|0,0,2]=4 13699 B11R0.174 C=CC(O)COC[C@@H](N)CCC 34a_100000732646_100000730141 [0,2,0,0,0,0|0,0,2]=4 13700 B11R0.174 C=CCC(C)COCC(C)CC 34a_100009832082_100000748023 [0,2,0,0,0,0|0,0,2]=4 13701 B11R0.174 C=CCC(C)COCC(C)CC 7a_100009832082_100000748023 [0,2,0,0,0,0|0,0,2]=4 13702 B11R0.174 C=CCC(C)COCC(O)CC 34a_100009832082_100011218378 [0,2,0,0,0,0|0,0,2]=4 13703 B11R0.174 C=CCC(C)COCC(O)CC 7a_100009832082_100011218378 [0,2,0,0,0,0|0,0,2]=4 13704 B11R0.174 C=CCC(C)COC[C@@H](C)CC 34a_100009832082_100009816398 [0,2,0,0,0,0|0,0,2]=4 13705 B11R0.174 C=CCC(C)COC[C@@H](C)CC 7a_100009832082_100009816398 [0,2,0,0,0,0|0,0,2]=4 13706 B11R0.174 C=CC[C@@H](N)COCC(C)CC 34a_100020615467_100000748023 [0,2,0,0,0,0|0,0,2]=4 13707 B11R0.174 C=CC[C@@H](N)COCC(O)CC 34a_100020615467_100011218378 [0,2,0,0,0,0|0,0,2]=4 13708 B11R0.174 C=CC[C@@H](N)COC[C@@H](C)CC 34a_100020615467_100009816398 [0,2,0,0,0,0|0,0,2]=4 13709 B11R0.174 C=C[C@H](N)COCC(C)CCC 34a_100016989147_100011216630 [0,2,0,0,0,0|0,0,2]=4 13710 B11R0.174 CC(CCN)COCC(O)CO 34a_106354213184_100011219619 [0,2,0,0,0,0|2,0,0]=4 13711 B11R0.174 CC(CCN)COC[C@@H](C)CO 34a_106354213184_100000059175 [0,2,0,0,0,0|2,0,0]=4 13712 B11R0.174 CC(CCN)COC[C@@H](O)CF 34a_106354213184_100015614560 [0,2,0,0,0,0|2,0,0]=4 13713 B11R0.174 CC(CCN)COC[C@@H](O)CO 34a_106354213184_100009815848 [0,2,0,0,0,0|2,0,0]=4 13714 B11R0.174 CCC(=O)COCC(O)COC 34a_100000725409_100011215053 [0,2,0,0,0,0|1,0,1]=4 13715 B11R0.174 CCC(C)CCNC(C)CCO 2230a_100020591266_100009893172 [0,2,0,0,0,0|2,0,0]=4 13716 B11R0.174 CCC(C)CCNC(C)COC 2230a_100020591266_100000765312 [0,2,0,0,0,0|2,0,0]=4 13717 B11R0.174 CCC(C)CCNC(C)COC 270004a_100020591266_100000749346 [0,2,0,0,0,0|2,0,0]=4 13718 B11R0.174 CCC(C)CCNC(C)CSC 270004a_100020591266_100011216314 [0,2,0,0,0,0|2,0,0]=4 13719 B11R0.174 CCC(C)CCOC(C)CC#N 7a_100011215188_100009813641 [0,2,0,0,0,0|1,0,1]=4 13720 B11R0.174 CCC(C)CCOC(C)CCO 7a_100011215188_100009893172 [0,2,0,0,0,0|1,0,0]=3 13721 B11R0.174 CCC(C)CCOC(C)COC 7a_100011215188_100000765312 [0,2,0,0,0,0|1,0,0]=3 13722 B11R0.174 CCC(C)CNCC(O)COC 2230a_100000756049_100000748023 [0,2,0,0,0,0|2,0,0]=4 13723 B11R0.174 CCC(C)CNCC(O)COC 270004a_100000756049_100000243153 [0,2,0,0,0,0|2,0,0]=4 13724 B11R0.174 CCC(C)CNCC(O)COC 34a_100000756049_100000748023 [0,2,0,0,0,0|2,0,0]=4 13725 B11R0.174 CCC(C)COCC(C)CCN 34a_106354213184_100000748023 [0,2,0,0,0,0|1,0,0]=3 13726 B11R0.174 CCC(C)COCC(N)COC 34a_100000724102_100000748023 [0,2,0,0,0,0|1,0,0]=3 13727 B11R0.174 CCC(C)CSCC(O)COC 62a_100000748023_100011215053 [0,2,0,0,0,0|1,1,0]=4 13728 B11R0.174 CCC(C)CSCC(O)COC 62a_100011215053_100000748023 [0,2,0,0,0,0|1,1,0]=4 13729 B11R0.174 CCC(O)CNCC(O)COC 2230a_100000756049_100011218378 [0,2,0,0,0,0|2,0,0]=4 13730 B11R0.174 CCC(O)CNCC(O)COC 34a_100000756049_100011218378 [0,2,0,0,0,0|2,0,0]=4 13731 B11R0.174 CCC(O)COCC(C)CCN 34a_106354213184_100011218378 [0,2,0,0,0,0|1,0,0]=3 13732 B11R0.174 CCC(O)COCC(N)COC 34a_100000724102_100011218378 [0,2,0,0,0,0|1,0,0]=3 13733 B11R0.174 CCC(O)CSCC(O)COC 62a_100011215053_100011218378 [0,2,0,0,0,0|1,1,0]=4 13734 B11R0.174 CCC(O)CSCC(O)COC 62a_100011218378_100011215053 [0,2,0,0,0,0|1,1,0]=4 13735 B11R0.174 CCCC(=O)CNCC(C)CC 2230a_100020588543_100000747444 [0,2,0,0,0,0|1,0,1]=4 13736 B11R0.174 CCCC(=O)CNCC(O)CC 2230a_100011218483_100000747444 [0,2,0,0,0,0|1,0,1]=4 13737 B11R0.174 CCCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747444 [0,2,0,0,0,0|0,0,1]=3 13738 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000747444_100000748023 [0,2,0,0,0,0|0,1,1]=4 13739 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000748023_100000747444 [0,2,0,0,0,0|0,1,1]=4 13740 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100000747444_100011218378 [0,2,0,0,0,0|0,1,1]=4 13741 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100011218378_100000747444 [0,2,0,0,0,0|0,1,1]=4 13742 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100000747444_100009816398 [0,2,0,0,0,0|0,1,1]=4 13743 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747444 [0,2,0,0,0,0|0,1,1]=4 13744 B11R0.174 CCCC(=O)NCCC(C)CC 11a_100020591266_100000211992 [0,2,0,0,0,0|1,0,1]=4 13745 B11R0.174 CCCC(=O)NCCC(C)CC 1626a_100020591266_100000211992 [0,2,0,0,0,0|1,0,1]=4 13746 B11R0.174 CCCC(=O)NCCC(C)CC 240690a_100020591266_100000211992 [0,2,0,0,0,0|1,0,1]=4 13747 B11R0.174 CCCC(=O)NCCC(C)CC 527a_100020591266_100000211992 [0,2,0,0,0,0|1,0,1]=4 13748 B11R0.174 CCCC(=O)OCNC(C)CC 2230a_100000209981_100000034017 [0,2,0,0,0,0|1,0,1]=4 13749 B11R0.174 CCCC(=O)OCSC(C)CC 62a_100000758301_100000034017 [0,2,0,0,0,0|1,0,1]=4 13750 B11R0.174 CCCC(C)CCOC(C)CC 34a_100011217855_100011215416 [0,2,0,0,0,0|2,0,0]=4 13751 B11R0.174 CCCC(C)CCOC(C)CC 7a_100011217855_100000758301 [0,2,0,0,0,0|2,0,0]=4 13752 B11R0.174 CCCC(C)CNCC(C)CC 2230a_100020588543_100011216630 [0,2,0,0,0,0|1,0,0]=3 13753 B11R0.174 CCCC(C)CNCC(C)CC 270004a_100020588543_100000243154 [0,2,0,0,0,0|1,0,0]=3 13754 B11R0.174 CCCC(C)CNCC(C)CO 34a_100000744482_100011216630 [0,2,0,0,0,0|2,0,0]=4 13755 B11R0.174 CCCC(C)CNCC(O)CC 2230a_100011218483_100011216630 [0,2,0,0,0,0|1,0,0]=3 13756 B11R0.174 CCCC(C)CNCC(O)CC 270004a_100011218483_100000243154 [0,2,0,0,0,0|1,0,0]=3 13757 B11R0.174 CCCC(C)CNC[C@@H](C)OC 2230a_100020591295_100011216630 [0,2,0,0,0,0|2,0,0]=4 13758 B11R0.174 CCCC(C)CNC[C@@H](C)OC 270004a_100020591295_100000243154 [0,2,0,0,0,0|2,0,0]=4 13759 B11R0.174 CCCC(C)CNC[C@@H](F)CO 270004a_100015665980_100000243154 [0,2,0,0,0,0|2,0,0]=4 13760 B11R0.174 CCCC(C)CNC[C@@H](F)CO 34a_100015665980_100011216630 [0,2,0,0,0,0|2,0,0]=4 13761 B11R0.174 CCCC(C)CNC[C@H](O)CO 2230a_100020644852_100011216630 [0,2,0,0,0,0|2,0,0]=4 13762 B11R0.174 CCCC(C)COCC(=O)CC 34a_100000725409_100011216630 [0,2,0,0,0,0|0,0,1]=3 13763 B11R0.174 CCCC(C)COCC(=O)CC 7a_100000688023_100000747405 [0,2,0,0,0,0|0,0,1]=3 13764 B11R0.174 CCCC(C)COCC(=O)NC 34a_100000688023_100000183359 [0,2,0,0,0,0|1,0,1]=4 13765 B11R0.174 CCCC(C)COCC(=O)NC 34a_100000750040_100011216630 [0,2,0,0,0,0|1,0,1]=4 13766 B11R0.174 CCCC(C)COCC(=O)NC 7a_100000688023_100000183359 [0,2,0,0,0,0|1,0,1]=4 13767 B11R0.174 CCCC(C)COCC(=O)OC 34a_100000688023_100000747449 [0,2,0,0,0,0|1,0,1]=4 13768 B11R0.174 CCCC(C)COCC(=O)OC 7a_100000688023_100000747449 [0,2,0,0,0,0|1,0,1]=4 13769 B11R0.174 CCCC(C)COCC(C)CC 34a_100000688023_100000748023 [0,2,0,0,0,0|0,0,0]=2 13770 B11R0.174 CCCC(C)COCC(C)CC 7a_100000688023_100000748023 [0,2,0,0,0,0|0,0,0]=2 13771 B11R0.174 CCCC(C)COCC(C)CN 34a_100000744482_100011216630 [0,2,0,0,0,0|1,0,0]=3 13772 B11R0.174 CCCC(C)COCC(C)OC 34a_100000690652_100011216630 [0,2,0,0,0,0|1,0,0]=3 13773 B11R0.174 CCCC(C)COCC(Cl)CCl 34a_100000033668_100011216630 [0,2,0,0,0,0|1,0,0]=3 13774 B11R0.174 CCCC(C)COCC(O)CC 34a_100000688023_100011218378 [0,2,0,0,0,0|0,0,0]=2 13775 B11R0.174 CCCC(C)COCC(O)CC 7a_100000688023_100011218378 [0,2,0,0,0,0|0,0,0]=2 13776 B11R0.174 CCCC(C)COCC(O)CO 34a_100000688023_100011219619 [0,2,0,0,0,0|1,0,0]=3 13777 B11R0.174 CCCC(C)COCC(O)CO 7a_100000688023_100011219619 [0,2,0,0,0,0|1,0,0]=3 13778 B11R0.174 CCCC(C)COC[C@@H](C)CC 34a_100000688023_100009816398 [0,2,0,0,0,0|0,0,0]=2 13779 B11R0.174 CCCC(C)COC[C@@H](C)CC 7a_100000688023_100009816398 [0,2,0,0,0,0|0,0,0]=2 13780 B11R0.174 CCCC(C)COC[C@@H](C)CC 7a_100009816381_100011216630 [0,2,0,0,0,0|0,0,0]=2 13781 B11R0.174 CCCC(C)COC[C@@H](C)CO 34a_100000688023_100000059175 [0,2,0,0,0,0|1,0,0]=3 13782 B11R0.174 CCCC(C)COC[C@@H](C)CO 7a_100000688023_100000059175 [0,2,0,0,0,0|1,0,0]=3 13783 B11R0.174 CCCC(C)COC[C@@H](O)CF 34a_100000688023_100015614560 [0,2,0,0,0,0|1,0,0]=3 13784 B11R0.174 CCCC(C)COC[C@@H](O)CF 7a_100000688023_100015614560 [0,2,0,0,0,0|1,0,0]=3 13785 B11R0.174 CCCC(C)COC[C@@H](O)CO 34a_100000688023_100009815848 [0,2,0,0,0,0|1,0,0]=3 13786 B11R0.174 CCCC(C)COC[C@@H](O)CO 7a_100000688023_100009815848 [0,2,0,0,0,0|1,0,0]=3 13787 B11R0.174 CCCC(C)COC[C@H](F)CN 34a_100015665980_100011216630 [0,2,0,0,0,0|1,0,0]=3 13788 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100000747405_100011216630 [0,2,0,0,0,0|0,1,1]=4 13789 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100011216630_100000747405 [0,2,0,0,0,0|0,1,1]=4 13790 B11R0.174 CCCC(C)CSCC(C)CC 62a_100000748023_100011216630 [0,2,0,0,0,0|0,1,0]=3 13791 B11R0.174 CCCC(C)CSCC(C)CC 62a_100011216630_100000748023 [0,2,0,0,0,0|0,1,0]=3 13792 B11R0.174 CCCC(C)CSCC(O)CC 62a_100011216630_100011218378 [0,2,0,0,0,0|0,1,0]=3 13793 B11R0.174 CCCC(C)CSCC(O)CC 62a_100011218378_100011216630 [0,2,0,0,0,0|0,1,0]=3 13794 B11R0.174 CCCC(C)CSCC(O)CO 62a_100011216630_100011219619 [0,2,0,0,0,0|1,1,0]=4 13795 B11R0.174 CCCC(C)CSCC(O)CO 62a_100011219619_100011216630 [0,2,0,0,0,0|1,1,0]=4 13796 B11R0.174 CCCC(C)CSC[C@@H](C)CC 62a_100009816398_100011216630 [0,2,0,0,0,0|0,1,0]=3 13797 B11R0.174 CCCC(C)CSC[C@@H](C)CC 62a_100011216630_100009816398 [0,2,0,0,0,0|0,1,0]=3 13798 B11R0.174 CCCC(C)CSC[C@@H](C)CO 62a_100000059175_100011216630 [0,2,0,0,0,0|1,1,0]=4 13799 B11R0.174 CCCC(C)CSC[C@@H](C)CO 62a_100011216630_100000059175 [0,2,0,0,0,0|1,1,0]=4 13800 B11R0.174 CCCC(C)CSC[C@@H](O)CF 62a_100011216630_100015614560 [0,2,0,0,0,0|1,1,0]=4 13801 B11R0.174 CCCC(C)CSC[C@@H](O)CF 62a_100015614560_100011216630 [0,2,0,0,0,0|1,1,0]=4 13802 B11R0.174 CCCC(C)CSC[C@@H](O)CO 62a_100009815848_100011216630 [0,2,0,0,0,0|1,1,0]=4 13803 B11R0.174 CCCC(C)CSC[C@@H](O)CO 62a_100011216630_100009815848 [0,2,0,0,0,0|1,1,0]=4 13804 B11R0.174 CCCC(C)NCCC(C)CC 2230a_100020591266_100000766640 [0,2,0,0,0,0|1,0,0]=3 13805 B11R0.174 CCCC(C)NCCC(C)CC 270004a_100020591266_100000211909 [0,2,0,0,0,0|1,0,0]=3 13806 B11R0.174 CCCC(C)NCCC(C)CO 2230a_106354213184_100000766640 [0,2,0,0,0,0|2,0,0]=4 13807 B11R0.174 CCCC(C)NCCC(C)CO 270004a_106354213184_100000211909 [0,2,0,0,0,0|2,0,0]=4 13808 B11R0.174 CCCC(C)NCCC(C)CO 34a_106354213184_100000766640 [0,2,0,0,0,0|2,0,0]=4 13809 B11R0.174 CCCC(C)OCCC(=O)NC 34a_100000754576_100000766640 [0,2,0,0,0,0|1,0,1]=4 13810 B11R0.174 CCCC(C)OCCC(=O)NC 34a_100000764384_100012179268 [0,2,0,0,0,0|1,0,1]=4 13811 B11R0.174 CCCC(C)OCCC(=O)NC 7a_100000764384_100000737683 [0,2,0,0,0,0|1,0,1]=4 13812 B11R0.174 CCCC(C)OCCC(=O)OC 34a_100000764384_100000742370 [0,2,0,0,0,0|1,0,1]=4 13813 B11R0.174 CCCC(C)OCCC(=O)OC 7a_100000764384_100000204255 [0,2,0,0,0,0|1,0,1]=4 13814 B11R0.174 CCCC(C)OCCC(C)CC 7a_100011215188_100000766640 [0,2,0,0,0,0|0,0,0]=2 13815 B11R0.174 CCCC(C)OCCC(C)OC 7a_100000764861_100000766640 [0,2,0,0,0,0|1,0,0]=3 13816 B11R0.174 CCC[C@H](N)CCOC(C)CC 34a_100015193777_100011215416 [0,2,0,0,0,0|2,0,0]=4 13817 B11R0.174 CCC[C@H](N)COCC(=O)NC 34a_100000732646_100000183359 [0,2,0,0,0,0|1,0,1]=4 13818 B11R0.174 CCC[C@H](N)COCC(=O)OC 34a_100000732646_100000747449 [0,2,0,0,0,0|1,0,1]=4 13819 B11R0.174 CCC[C@H](N)COCC(C)CC 34a_100000732646_100000748023 [0,2,0,0,0,0|0,0,0]=2 13820 B11R0.174 CCC[C@H](N)COCC(O)CC 34a_100000732646_100011218378 [0,2,0,0,0,0|0,0,0]=2 13821 B11R0.174 CCC[C@H](N)COCC(O)CO 34a_100000732646_100011219619 [0,2,0,0,0,0|1,0,0]=3 13822 B11R0.174 CCC[C@H](N)COC[C@@H](C)CC 34a_100000732646_100009816398 [0,2,0,0,0,0|0,0,0]=2 13823 B11R0.174 CCC[C@H](N)COC[C@@H](C)CO 34a_100000732646_100000059175 [0,2,0,0,0,0|1,0,0]=3 13824 B11R0.174 CCC[C@H](N)COC[C@@H](O)CF 34a_100000732646_100015614560 [0,2,0,0,0,0|1,0,0]=3 13825 B11R0.174 CCC[C@H](N)COC[C@@H](O)CO 34a_100000732646_100009815848 [0,2,0,0,0,0|1,0,0]=3 13826 B11R0.174 CCNC(=O)COC[C@@H](C)CC 7a_100009816381_100000183381 [0,2,0,0,0,0|1,0,1]=4 13827 B11R0.174 CCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000188475 [0,2,0,0,0,0|1,0,1]=4 13828 B11R0.174 CC[C@H](C)CNCC(O)COC 2230a_100000756049_100009816398 [0,2,0,0,0,0|2,0,0]=4 13829 B11R0.174 CC[C@H](C)CNCC(O)COC 34a_100000756049_100009816398 [0,2,0,0,0,0|2,0,0]=4 13830 B11R0.174 CC[C@H](C)COCC(C)CCN 34a_106354213184_100009816398 [0,2,0,0,0,0|1,0,0]=3 13831 B11R0.174 CC[C@H](C)COCC(N)COC 34a_100000724102_100009816398 [0,2,0,0,0,0|1,0,0]=3 13832 B11R0.174 CC[C@H](C)COCC(O)COC 7a_100009816381_100011215053 [0,2,0,0,0,0|1,0,0]=3 13833 B11R0.174 CC[C@H](C)COC[C@@H](O)CC#N 7a_100009816381_100000001066 [0,2,0,0,0,0|1,0,1]=4 13834 B11R0.174 CC[C@H](C)CSCC(O)COC 62a_100009816398_100011215053 [0,2,0,0,0,0|1,1,0]=4 13835 B11R0.174 CC[C@H](C)CSCC(O)COC 62a_100011215053_100009816398 [0,2,0,0,0,0|1,1,0]=4 13836 B11R0.174 COC(C)CCOC(C)CCO 7a_100000764861_100009893172 [0,2,0,0,0,0|2,0,0]=4 13837 B11R0.174 COCC(C)OCCC(C)OC 7a_100000764861_100000765312 [0,2,0,0,0,0|2,0,0]=4 13838 B11R0.174 COCC(N)COCC(O)CO 34a_100000724102_100011219619 [0,2,0,0,0,0|2,0,0]=4 13839 B11R0.174 COCC(N)COC[C@@H](C)CO 34a_100000724102_100000059175 [0,2,0,0,0,0|2,0,0]=4 13840 B11R0.174 COCC(N)COC[C@@H](O)CF 34a_100000724102_100015614560 [0,2,0,0,0,0|2,0,0]=4 13841 B11R0.174 COCC(N)COC[C@@H](O)CO 34a_100000724102_100009815848 [0,2,0,0,0,0|2,0,0]=4 13842 B11R0.174 COCC(O)COCC(C)CN 34a_100000744482_100011215053 [0,2,0,0,0,0|2,0,0]=4 13843 B11R0.174 COCC(O)COCC(C)OC 34a_100000690652_100011215053 [0,2,0,0,0,0|2,0,0]=4 13844 B11R0.174 COCC(O)COCC(Cl)CCl 34a_100000033668_100011215053 [0,2,0,0,0,0|2,0,0]=4 13845 B11R0.174 COCC(O)COC[C@H](F)CN 34a_100015665980_100011215053 [0,2,0,0,0,0|2,0,0]=4 13846 B11R0.176 C#CCC(C)OCCCC(C)C 34a_100000685586_100011214892 [0,2,0,0,0,0|0,0,2]=4 13847 B11R0.176 C#CCC(C)OCCCC(C)C 7a_100000685586_100011214892 [0,2,0,0,0,0|0,0,2]=4 13848 B11R0.176 C#CCC(C)OCCCC(C)O 34a_100000685586_200000718107 [0,2,0,0,0,0|0,0,2]=4 13849 B11R0.176 C#CCC(C)OCCCC(C)O 7a_100000685586_200000718107 [0,2,0,0,0,0|0,0,2]=4 13850 B11R0.176 C/C=C/C(C)OCCCC(C)C 34a_200102604097_100011214892 [0,2,0,0,0,0|0,0,2]=4 13851 B11R0.176 C/C=C/C(C)OCCCC(C)O 34a_200102604097_200000718107 [0,2,0,0,0,0|0,0,2]=4 13852 B11R0.176 C=C(Br)CCOCC(C)CCC 34a_100009813270_100011216630 [0,2,0,0,0,0|0,0,2]=4 13853 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000688023_100000730704 [0,2,0,0,0,0|0,0,1]=3 13854 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000764851_100011216630 [0,2,0,0,0,0|0,0,1]=3 13855 B11R0.176 C=C(C)CCOCC(C)CCC 7a_100000688023_100000730704 [0,2,0,0,0,0|0,0,1]=3 13856 B11R0.176 C=C(C)CCOCC(C)CCN 34a_106354213184_100000730704 [0,2,0,0,0,0|1,0,1]=4 13857 B11R0.176 C=C(C)CCOCC(N)COC 34a_100000724102_100000730704 [0,2,0,0,0,0|1,0,1]=4 13858 B11R0.176 C=C(C)CCOCC(O)COC 34a_100000764851_100011215053 [0,2,0,0,0,0|1,0,1]=4 13859 B11R0.176 C=C(C)CCOC[C@@H](N)CCC 34a_100000732646_100000730704 [0,2,0,0,0,0|0,0,1]=3 13860 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100000730704_100011216630 [0,2,0,0,0,0|0,1,1]=4 13861 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100011216630_100000730704 [0,2,0,0,0,0|0,1,1]=4 13862 B11R0.176 C=CCC(C)COCCC(C)C 34a_100009832082_100000210312 [0,2,0,0,0,0|0,0,2]=4 13863 B11R0.176 C=CCC(C)COCCC(C)C 7a_100009832082_100000210626 [0,2,0,0,0,0|0,0,2]=4 13864 B11R0.176 C=CCC(C)COCCC(C)O 34a_100009832082_100012276601 [0,2,0,0,0,0|0,0,2]=4 13865 B11R0.176 C=CCC(C)COCCC(C)O 7a_100009832082_100012276601 [0,2,0,0,0,0|0,0,2]=4 13866 B11R0.176 C=CC[C@@H](C)OCCCC(C)C 34a_100000731007_100011214892 [0,2,0,0,0,0|0,0,2]=4 13867 B11R0.176 C=CC[C@@H](C)OCCCC(C)C 7a_100000731007_100011214892 [0,2,0,0,0,0|0,0,2]=4 13868 B11R0.176 C=CC[C@@H](C)OCCCC(C)O 34a_100000731007_200000718107 [0,2,0,0,0,0|0,0,2]=4 13869 B11R0.176 C=CC[C@@H](C)OCCCC(C)O 7a_100000731007_200000718107 [0,2,0,0,0,0|0,0,2]=4 13870 B11R0.176 C=CC[C@@H](N)COCCC(C)C 34a_100020615467_100000210312 [0,2,0,0,0,0|0,0,2]=4 13871 B11R0.176 C=CC[C@@H](N)COCCC(C)O 34a_100020615467_100012276601 [0,2,0,0,0,0|0,0,2]=4 13872 B11R0.176 CC#CC(C)OCCCC(C)C 34a_100011216543_100011214892 [0,2,0,0,0,0|0,0,2]=4 13873 B11R0.176 CC#CC(C)OCCCC(C)O 34a_100011216543_200000718107 [0,2,0,0,0,0|0,0,2]=4 13874 B11R0.176 CC(=O)CCCOC(C)CCBr 34a_100012276601_100000685027 [0,2,0,0,0,0|1,0,1]=4 13875 B11R0.176 CC(=O)CCCOC(C)CCO 34a_100000759063_100009893172 [0,2,0,0,0,0|1,0,1]=4 13876 B11R0.176 CC(=O)CCCOC(C)CCO 7a_100000759063_100009893172 [0,2,0,0,0,0|1,0,1]=4 13877 B11R0.176 CC(C)CCCNC(C)CCO 2230a_200000737386_100009893172 [0,2,0,0,0,0|2,0,0]=4 13878 B11R0.176 CC(C)CCCNC(C)CCO 34a_200000737386_100009893172 [0,2,0,0,0,0|2,0,0]=4 13879 B11R0.176 CC(C)CCCN[C@H](C)CCO 2230a_100000706166_100011214892 [0,2,0,0,0,0|2,0,0]=4 13880 B11R0.176 CC(C)CCCN[C@H](C)CCO 34a_100000706166_100011214892 [0,2,0,0,0,0|2,0,0]=4 13881 B11R0.176 CC(C)CCCOC(C)CC#N 7a_100000210774_100009813641 [0,2,0,0,0,0|1,0,1]=4 13882 B11R0.176 CC(C)CCCOC(C)CCBr 34a_100012276601_100011214892 [0,2,0,0,0,0|1,0,0]=3 13883 B11R0.176 CC(C)CCCOC(C)CCO 34a_100000210774_100009893172 [0,2,0,0,0,0|1,0,0]=3 13884 B11R0.176 CC(C)CCCOC(C)CCO 7a_100000210774_100009893172 [0,2,0,0,0,0|1,0,0]=3 13885 B11R0.176 CC(C)CCCSC(C)CCO 62a_100009893172_100011214892 [0,2,0,0,0,0|1,1,0]=4 13886 B11R0.176 CC(C)CCCSC(C)CCO 62a_100011214892_100009893172 [0,2,0,0,0,0|1,1,0]=4 13887 B11R0.176 CC(C)CCOCC(C)CCN 34a_106354213184_100000210312 [0,2,0,0,0,0|1,0,0]=3 13888 B11R0.176 CC(C)CCOC[C@@H](O)CC#N 7a_100000210254_100000001066 [0,2,0,0,0,0|1,0,1]=4 13889 B11R0.176 CC(C)NCCOC(C)CCO 34a_100000224655_100009893172 [0,2,0,0,0,0|2,0,0]=4 13890 B11R0.176 CC(C)OCCOC(C)CCBr 34a_100012276601_100000211751 [0,2,0,0,0,0|2,0,0]=4 13891 B11R0.176 CC(C)OCCOC(C)CCO 34a_100000211219_100009893172 [0,2,0,0,0,0|2,0,0]=4 13892 B11R0.176 CC(C)OCCOC(C)CCO 7a_100000211219_100009893172 [0,2,0,0,0,0|2,0,0]=4 13893 B11R0.176 CC(CCBr)OCCSC(C)C 34a_100012276601_100000730970 [0,2,0,0,0,0|2,0,0]=4 13894 B11R0.176 CC(CCN)COCOC(C)C 34a_106354213184_100000709892 [0,2,0,0,0,0|2,0,0]=4 13895 B11R0.176 CC(CCO)OCCSC(C)C 34a_200011212901_100009893172 [0,2,0,0,0,0|2,0,0]=4 13896 B11R0.176 CC(CCO)OCCSC(C)C 7a_200011212901_100009893172 [0,2,0,0,0,0|2,0,0]=4 13897 B11R0.176 CC(O)CCCN[C@H](C)CCO 2230a_100000706166_200000718107 [0,2,0,0,0,0|2,0,0]=4 13898 B11R0.176 CC(O)CCCN[C@H](C)CCO 34a_100000706166_200000718107 [0,2,0,0,0,0|2,0,0]=4 13899 B11R0.176 CC(O)CCCOC(C)CCBr 34a_100012276601_200000718107 [0,2,0,0,0,0|1,0,0]=3 13900 B11R0.176 CC(O)CCCSC(C)CCO 62a_100009893172_200000718107 [0,2,0,0,0,0|1,1,0]=4 13901 B11R0.176 CC(O)CCCSC(C)CCO 62a_200000718107_100009893172 [0,2,0,0,0,0|1,1,0]=4 13902 B11R0.176 CC(O)CCOCC(C)CCN 34a_106354213184_100012276601 [0,2,0,0,0,0|1,0,0]=3 13903 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [0,2,0,0,0,0|1,0,1]=4 13904 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [0,2,0,0,0,0|1,0,1]=4 13905 B11R0.176 CCCC(=O)CNCCC(C)O 2230a_200000755665_100000747444 [0,2,0,0,0,0|1,0,1]=4 13906 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [0,2,0,0,0,0|0,0,2]=4 13907 B11R0.176 CCCC(=O)COCCC(C)C 7a_100000210254_100000747444 [0,2,0,0,0,0|0,0,1]=3 13908 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000210312_100000747444 [0,2,0,0,0,0|0,1,1]=4 13909 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000747444_100000210312 [0,2,0,0,0,0|0,1,1]=4 13910 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100000747444_100012276601 [0,2,0,0,0,0|0,1,1]=4 13911 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100012276601_100000747444 [0,2,0,0,0,0|0,1,1]=4 13912 B11R0.176 CCCC(=O)NCCCC(C)C 11a_200000737386_100000211992 [0,2,0,0,0,0|1,0,1]=4 13913 B11R0.176 CCCC(=O)NCCCC(C)C 1626a_200000737386_100000211992 [0,2,0,0,0,0|1,0,1]=4 13914 B11R0.176 CCCC(=O)NCCCC(C)C 240690a_200000737386_100000211992 [0,2,0,0,0,0|1,0,1]=4 13915 B11R0.176 CCCC(=O)NCCCC(C)C 527a_200000737386_100000211992 [0,2,0,0,0,0|1,0,1]=4 13916 B11R0.176 CCCC(=O)OCNCC(C)C 2230a_100000210953_100000034017 [0,2,0,0,0,0|1,0,1]=4 13917 B11R0.176 CCCC(=O)OCNCC(C)C 34a_100000210953_100000034017 [0,2,0,0,0,0|1,0,1]=4 13918 B11R0.176 CCCC(=O)OCNCC(C)O 2230a_100000210904_100000034017 [0,2,0,0,0,0|1,0,1]=4 13919 B11R0.176 CCCC(=O)OCNCC(C)O 34a_100000210904_100000034017 [0,2,0,0,0,0|1,0,1]=4 13920 B11R0.176 CCCC(=O)OCOCC(C)Br 34a_100012180447_100000034017 [0,2,0,0,0,0|1,0,1]=4 13921 B11R0.176 CCCC(=O)OCOCC(C)C 34a_100000210257_100000034017 [0,2,0,0,0,0|1,0,1]=4 13922 B11R0.176 CCCC(=O)OCOCC(C)F 34a_100015925927_100000034017 [0,2,0,0,0,0|1,0,1]=4 13923 B11R0.176 CCCC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100000034017 [0,2,0,0,0,0|1,0,1]=4 13924 B11R0.176 CCCC(=O)OCOC[C@@H](C)N 34a_100000737577_100000034017 [0,2,0,0,0,0|1,0,1]=4 13925 B11R0.176 CCCC(=O)OCSCC(C)C 62a_100000210624_100000034017 [0,2,0,0,0,0|1,0,1]=4 13926 B11R0.176 CCCC(=O)OCSCC(C)O 62a_100011218427_100000034017 [0,2,0,0,0,0|1,0,1]=4 13927 B11R0.176 CCCC(=O)OCSC[C@@H](C)O 62a_100009817552_100000034017 [0,2,0,0,0,0|1,0,1]=4 13928 B11R0.176 CCCC(C)CCCOC(C)C 34a_100011713154_100000210206 [0,2,0,0,0,0|2,0,0]=4 13929 B11R0.176 CCCC(C)CCCOC(C)C 7a_100011713154_100000210206 [0,2,0,0,0,0|2,0,0]=4 13930 B11R0.176 CCCC(C)CCOCC(C)C 34a_100011217855_100000210624 [0,2,0,0,0,0|2,0,0]=4 13931 B11R0.176 CCCC(C)CCOCC(C)C 7a_100011217855_100000210760 [0,2,0,0,0,0|2,0,0]=4 13932 B11R0.176 CCCC(C)CCOCC(C)O 34a_100011217855_100011218427 [0,2,0,0,0,0|2,0,0]=4 13933 B11R0.176 CCCC(C)CCOCC(C)O 7a_100011217855_100011218427 [0,2,0,0,0,0|2,0,0]=4 13934 B11R0.176 CCCC(C)CCOC[C@@H](C)O 34a_100011217855_100009817552 [0,2,0,0,0,0|2,0,0]=4 13935 B11R0.176 CCCC(C)CCOC[C@@H](C)O 7a_100011217855_100009817552 [0,2,0,0,0,0|2,0,0]=4 13936 B11R0.176 CCCC(C)CNCCC(C)C 270004a_100000210545_100000243154 [0,2,0,0,0,0|1,0,0]=3 13937 B11R0.176 CCCC(C)CNCCC(C)O 2230a_200000755665_100011216630 [0,2,0,0,0,0|1,0,0]=3 13938 B11R0.176 CCCC(C)CNCCC(C)O 270004a_200000755665_100000243154 [0,2,0,0,0,0|1,0,0]=3 13939 B11R0.176 CCCC(C)CNCCN(C)C 270004a_100000210585_100000243154 [0,2,0,0,0,0|2,0,0]=4 13940 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000688023_100000761012 [0,2,0,0,0,0|0,0,2]=4 13941 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000753907_100011216630 [0,2,0,0,0,0|0,0,2]=4 13942 B11R0.176 CCCC(C)COCC=C(C)C 7a_100000688023_100000761012 [0,2,0,0,0,0|0,0,2]=4 13943 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [0,2,0,0,0,0|0,0,1]=3 13944 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [0,2,0,0,0,0|0,0,1]=3 13945 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [0,2,0,0,0,0|0,0,1]=3 13946 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000688023_100000731001 [0,2,0,0,0,0|1,0,1]=4 13947 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000757172_100011216630 [0,2,0,0,0,0|1,0,1]=4 13948 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000688023_100000744528 [0,2,0,0,0,0|1,0,1]=4 13949 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000757172_100011216630 [0,2,0,0,0,0|1,0,1]=4 13950 B11R0.176 CCCC(C)COCCC(C)Br 34a_100009893172_100011216630 [0,2,0,0,0,0|0,0,0]=2 13951 B11R0.176 CCCC(C)COCCC(C)C 34a_100000210254_100011216630 [0,2,0,0,0,0|0,0,0]=2 13952 B11R0.176 CCCC(C)COCCC(C)C 34a_100000688023_100000210312 [0,2,0,0,0,0|0,0,0]=2 13953 B11R0.176 CCCC(C)COCCC(C)C 7a_100000210254_100011216630 [0,2,0,0,0,0|0,0,0]=2 13954 B11R0.176 CCCC(C)COCCC(C)C 7a_100000688023_100000210626 [0,2,0,0,0,0|0,0,0]=2 13955 B11R0.176 CCCC(C)COCCC(C)O 34a_100000688023_100012276601 [0,2,0,0,0,0|0,0,0]=2 13956 B11R0.176 CCCC(C)COCCC(C)O 7a_100000688023_100012276601 [0,2,0,0,0,0|0,0,0]=2 13957 B11R0.176 CCCC(C)COCCC(F)F 34a_100103093639_100011216630 [0,2,0,0,0,0|1,0,0]=3 13958 B11R0.176 CCCC(C)COCCN(C)C 7a_100000688023_100000755713 [0,2,0,0,0,0|1,0,0]=3 13959 B11R0.176 CCCC(C)COCC[C@@H](C)N 34a_100000706166_100011216630 [0,2,0,0,0,0|0,0,0]=2 13960 B11R0.176 CCCC(C)COCOC(=O)C 34a_100000688023_100009813279 [0,2,0,0,0,0|1,0,1]=4 13961 B11R0.176 CCCC(C)COCOC(C)C 34a_100000688023_100000709892 [0,2,0,0,0,0|1,0,0]=3 13962 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [0,2,0,0,0,0|0,1,1]=4 13963 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [0,2,0,0,0,0|0,1,1]=4 13964 B11R0.176 CCCC(C)CSCCC(C)C 62a_100000210312_100011216630 [0,2,0,0,0,0|0,1,0]=3 13965 B11R0.176 CCCC(C)CSCCC(C)C 62a_100011216630_100000210312 [0,2,0,0,0,0|0,1,0]=3 13966 B11R0.176 CCCC(C)CSCCC(C)O 62a_100011216630_100012276601 [0,2,0,0,0,0|0,1,0]=3 13967 B11R0.176 CCCC(C)CSCCC(C)O 62a_100012276601_100011216630 [0,2,0,0,0,0|0,1,0]=3 13968 B11R0.176 CCCC(C)CSCCN(C)C 62a_100011216630_100000755713 [0,2,0,0,0,0|1,1,0]=4 13969 B11R0.176 CCCC(C)CSCOC(C)C 62a_100000709892_100011216630 [0,2,0,0,0,0|1,1,0]=4 13970 B11R0.176 CCCC(C)CSCOC(C)C 62a_100011216630_100000709892 [0,2,0,0,0,0|1,1,0]=4 13971 B11R0.176 CCCC(C)NCCCC(C)C 2230a_100000741246_100011214892 [0,2,0,0,0,0|1,0,0]=3 13972 B11R0.176 CCCC(C)NCCCC(C)C 2230a_200000737386_100000766640 [0,2,0,0,0,0|1,0,0]=3 13973 B11R0.176 CCCC(C)NCCCC(C)C 270004a_200000737386_100000211909 [0,2,0,0,0,0|1,0,0]=3 13974 B11R0.176 CCCC(C)NCCCC(C)C 34a_200000737386_100000766640 [0,2,0,0,0,0|1,0,0]=3 13975 B11R0.176 CCCC(C)NCCCC(C)O 2230a_100000741246_200000718107 [0,2,0,0,0,0|1,0,0]=3 13976 B11R0.176 CCCC(C)NCCCN(C)C 270004a_102531767803_100000211909 [0,2,0,0,0,0|2,0,0]=4 13977 B11R0.176 CCCC(C)NCCCS(=O)C 2230a_200000753449_100000766640 [0,2,0,0,0,0|2,0,0]=4 13978 B11R0.176 CCCC(C)NCCCS(=O)C 270004a_200000753449_100000211909 [0,2,0,0,0,0|2,0,0]=4 13979 B11R0.176 CCCC(C)NCCOC(C)C 2230a_100000701111_100000766640 [0,2,0,0,0,0|2,0,0]=4 13980 B11R0.176 CCCC(C)NCCOC(C)C 2230a_100000741246_100000211751 [0,2,0,0,0,0|2,0,0]=4 13981 B11R0.176 CCCC(C)NCCOC(C)C 270004a_100000701111_100000211909 [0,2,0,0,0,0|2,0,0]=4 13982 B11R0.176 CCCC(C)NCCOC(C)C 34a_100000701111_100000766640 [0,2,0,0,0,0|2,0,0]=4 13983 B11R0.176 CCCC(C)NCCSC(C)C 2230a_100000731138_100000766640 [0,2,0,0,0,0|2,0,0]=4 13984 B11R0.176 CCCC(C)NCCSC(C)C 2230a_100000741246_100000730970 [0,2,0,0,0,0|2,0,0]=4 13985 B11R0.176 CCCC(C)NCCSC(C)C 270004a_100000731138_100000211909 [0,2,0,0,0,0|2,0,0]=4 13986 B11R0.176 CCCC(C)NCCSC(C)C 34a_100000731138_100000766640 [0,2,0,0,0,0|2,0,0]=4 13987 B11R0.176 CCCC(C)OCCC=C(C)C 34a_100000764384_100011217483 [0,2,0,0,0,0|0,0,2]=4 13988 B11R0.176 CCCC(C)OCCC=C(C)C 7a_100000764384_100011217483 [0,2,0,0,0,0|0,0,2]=4 13989 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [0,2,0,0,0,0|0,0,1]=3 13990 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [0,2,0,0,0,0|0,0,1]=3 13991 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [0,2,0,0,0,0|0,0,1]=3 13992 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [0,2,0,0,0,0|0,0,1]=3 13993 B11R0.176 CCCC(C)OCCCC(=O)N 34a_100000764384_100102525003 [0,2,0,0,0,0|1,0,1]=4 13994 B11R0.176 CCCC(C)OCCCC(=O)N 7a_100000764384_100102525003 [0,2,0,0,0,0|1,0,1]=4 13995 B11R0.176 CCCC(C)OCCCC(C)C 34a_100000210774_100000766640 [0,2,0,0,0,0|0,0,0]=2 13996 B11R0.176 CCCC(C)OCCCC(C)C 34a_100000764384_100011214892 [0,2,0,0,0,0|0,0,0]=2 13997 B11R0.176 CCCC(C)OCCCC(C)C 7a_100000210774_100000766640 [0,2,0,0,0,0|0,0,0]=2 13998 B11R0.176 CCCC(C)OCCCC(C)C 7a_100000764384_100011214892 [0,2,0,0,0,0|0,0,0]=2 13999 B11R0.176 CCCC(C)OCCCC(C)O 34a_100000764384_200000718107 [0,2,0,0,0,0|0,0,0]=2 14000 B11R0.176 CCCC(C)OCCCC(C)O 7a_100000764384_200000718107 [0,2,0,0,0,0|0,0,0]=2 14001 B11R0.176 CCCC(C)OCCCN(C)C 7a_100000764384_100000757444 [0,2,0,0,0,0|1,0,0]=3 14002 B11R0.176 CCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_100000766640 [0,2,0,0,0,0|2,0,0]=4 14003 B11R0.176 CCCC(C)OCCNC(=O)C 34a_100000158858_100000766640 [0,2,0,0,0,0|1,0,1]=4 14004 B11R0.176 CCCC(C)OCCNC(=O)C 7a_100000764384_100000189650 [0,2,0,0,0,0|1,0,1]=4 14005 B11R0.176 CCCC(C)OCCNC(C)C 34a_100000224655_100000766640 [0,2,0,0,0,0|1,0,0]=3 14006 B11R0.176 CCCC(C)OCCOC(=O)C 34a_100000764384_100009814007 [0,2,0,0,0,0|1,0,1]=4 14007 B11R0.176 CCCC(C)OCCOC(=O)C 7a_100000764384_100009814007 [0,2,0,0,0,0|1,0,1]=4 14008 B11R0.176 CCCC(C)OCCOC(C)C 34a_100000211219_100000766640 [0,2,0,0,0,0|1,0,0]=3 14009 B11R0.176 CCCC(C)OCCOC(C)C 34a_100000764384_100000211751 [0,2,0,0,0,0|1,0,0]=3 14010 B11R0.176 CCCC(C)OCCOC(C)C 7a_100000211219_100000766640 [0,2,0,0,0,0|1,0,0]=3 14011 B11R0.176 CCCC(C)OCCOC(C)C 7a_100000764384_100000211751 [0,2,0,0,0,0|1,0,0]=3 14012 B11R0.176 CCCC(C)OCCSC(C)C 34a_100000764384_100000730970 [0,2,0,0,0,0|1,0,0]=3 14013 B11R0.176 CCCC(C)OCCSC(C)C 34a_200011212901_100000766640 [0,2,0,0,0,0|1,0,0]=3 14014 B11R0.176 CCCC(C)OCCSC(C)C 7a_100000764384_100000730970 [0,2,0,0,0,0|1,0,0]=3 14015 B11R0.176 CCCC(C)OCCSC(C)C 7a_200011212901_100000766640 [0,2,0,0,0,0|1,0,0]=3 14016 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100000766640_100011215641 [0,2,0,0,0,0|0,1,1]=4 14017 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100011215641_100000766640 [0,2,0,0,0,0|0,1,1]=4 14018 B11R0.176 CCCC(C)SCCCC(C)C 62a_100000766640_100011214892 [0,2,0,0,0,0|0,1,0]=3 14019 B11R0.176 CCCC(C)SCCCC(C)C 62a_100011214892_100000766640 [0,2,0,0,0,0|0,1,0]=3 14020 B11R0.176 CCCC(C)SCCCC(C)O 62a_100000766640_200000718107 [0,2,0,0,0,0|0,1,0]=3 14021 B11R0.176 CCCC(C)SCCCC(C)O 62a_200000718107_100000766640 [0,2,0,0,0,0|0,1,0]=3 14022 B11R0.176 CCCC(C)SCCCN(C)C 62a_100000766640_100000757444 [0,2,0,0,0,0|1,1,0]=4 14023 B11R0.176 CCCC(C)SCCOC(C)C 62a_100000211751_100000766640 [0,2,0,0,0,0|1,1,0]=4 14024 B11R0.176 CCCC(C)SCCOC(C)C 62a_100000766640_100000211751 [0,2,0,0,0,0|1,1,0]=4 14025 B11R0.176 CCCC(C)SCCSC(C)C 62a_100000730970_100000766640 [0,2,0,0,0,0|1,1,0]=4 14026 B11R0.176 CCCC(C)SCCSC(C)C 62a_100000766640_100000730970 [0,2,0,0,0,0|1,1,0]=4 14027 B11R0.176 CCCN(C)CCCCC(C)C 2230a_100000747261_100011216152 [0,2,0,0,0,0|2,0,0]=4 14028 B11R0.176 CCCN(C)CCCCC(C)C 269982a_100000747261_100011216152 [0,2,0,0,0,0|2,0,0]=4 14029 B11R0.176 CCC[C@H](N)CCOCC(C)C 34a_100015193777_100000210624 [0,2,0,0,0,0|2,0,0]=4 14030 B11R0.176 CCC[C@H](N)CCOCC(C)O 34a_100015193777_100011218427 [0,2,0,0,0,0|2,0,0]=4 14031 B11R0.176 CCC[C@H](N)CCOC[C@@H](C)O 34a_100015193777_100009817552 [0,2,0,0,0,0|2,0,0]=4 14032 B11R0.176 CCC[C@H](N)COCC=C(C)C 34a_100000732646_100000761012 [0,2,0,0,0,0|0,0,2]=4 14033 B11R0.176 CCC[C@H](N)COCCC(=O)N 34a_100000732646_100000731001 [0,2,0,0,0,0|1,0,1]=4 14034 B11R0.176 CCC[C@H](N)COCCC(C)C 34a_100000732646_100000210312 [0,2,0,0,0,0|0,0,0]=2 14035 B11R0.176 CCC[C@H](N)COCCC(C)O 34a_100000732646_100012276601 [0,2,0,0,0,0|0,0,0]=2 14036 B11R0.176 CCC[C@H](N)COCOC(=O)C 34a_100000732646_100009813279 [0,2,0,0,0,0|1,0,1]=4 14037 B11R0.176 CCC[C@H](N)COCOC(C)C 34a_100000732646_100000709892 [0,2,0,0,0,0|1,0,0]=3 14038 B11R0.176 CCNC(=O)COCCC(C)Br 34a_100009893172_100000183381 [0,2,0,0,0,0|1,0,1]=4 14039 B11R0.176 CCNC(=O)COCCC(C)C 34a_100000210254_100000183381 [0,2,0,0,0,0|1,0,1]=4 14040 B11R0.176 CCNC(=O)COCCC(C)C 7a_100000210254_100000183381 [0,2,0,0,0,0|1,0,1]=4 14041 B11R0.176 CCNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183381 [0,2,0,0,0,0|1,0,1]=4 14042 B11R0.176 CCOC(=O)COCCC(C)Br 34a_100009893172_100000188475 [0,2,0,0,0,0|1,0,1]=4 14043 B11R0.176 CCOC(=O)COCCC(C)C 34a_100000210254_100000188475 [0,2,0,0,0,0|1,0,1]=4 14044 B11R0.176 CCOC(=O)COCCC(C)C 7a_100000210254_100000188475 [0,2,0,0,0,0|1,0,1]=4 14045 B11R0.176 CCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000188475 [0,2,0,0,0,0|1,0,1]=4 14046 B11R0.176 COCC(C)NCCCC(C)C 2230a_200000737386_100000765312 [0,2,0,0,0,0|2,0,0]=4 14047 B11R0.176 COCC(C)NCCCC(C)C 270004a_200000737386_100000749346 [0,2,0,0,0,0|2,0,0]=4 14048 B11R0.176 COCC(C)NCCCC(C)C 34a_200000737386_100000765312 [0,2,0,0,0,0|2,0,0]=4 14049 B11R0.176 COCC(C)OCCCC(=O)C 34a_100000759063_100000765312 [0,2,0,0,0,0|1,0,1]=4 14050 B11R0.176 COCC(C)OCCCC(=O)C 7a_100000759063_100000765312 [0,2,0,0,0,0|1,0,1]=4 14051 B11R0.176 COCC(C)OCCCC(C)C 34a_100000210774_100000765312 [0,2,0,0,0,0|1,0,0]=3 14052 B11R0.176 COCC(C)OCCCC(C)C 7a_100000210774_100000765312 [0,2,0,0,0,0|1,0,0]=3 14053 B11R0.176 COCC(C)OCCNC(C)C 34a_100000224655_100000765312 [0,2,0,0,0,0|2,0,0]=4 14054 B11R0.176 COCC(C)OCCOC(C)C 34a_100000211219_100000765312 [0,2,0,0,0,0|2,0,0]=4 14055 B11R0.176 COCC(C)OCCOC(C)C 7a_100000211219_100000765312 [0,2,0,0,0,0|2,0,0]=4 14056 B11R0.176 COCC(C)OCCSC(C)C 34a_200011212901_100000765312 [0,2,0,0,0,0|2,0,0]=4 14057 B11R0.176 COCC(C)OCCSC(C)C 7a_200011212901_100000765312 [0,2,0,0,0,0|2,0,0]=4 14058 B11R0.176 COCC(C)SCCCC(C)C 62a_100000765312_100011214892 [0,2,0,0,0,0|1,1,0]=4 14059 B11R0.176 COCC(C)SCCCC(C)C 62a_100011214892_100000765312 [0,2,0,0,0,0|1,1,0]=4 14060 B11R0.176 COCC(C)SCCCC(C)O 62a_100000765312_200000718107 [0,2,0,0,0,0|1,1,0]=4 14061 B11R0.176 COCC(C)SCCCC(C)O 62a_200000718107_100000765312 [0,2,0,0,0,0|1,1,0]=4 14062 B11R0.176 COCC(N)COCCC(C)C 34a_100000724102_100000210312 [0,2,0,0,0,0|1,0,0]=3 14063 B11R0.176 COCC(N)COCCC(C)O 34a_100000724102_100012276601 [0,2,0,0,0,0|1,0,0]=3 14064 B11R0.176 COCC(N)COCOC(C)C 34a_100000724102_100000709892 [0,2,0,0,0,0|2,0,0]=4 14065 B11R0.176 COCC(O)CNCCC(C)C 2230a_100000756049_100000210312 [0,2,0,0,0,0|2,0,0]=4 14066 B11R0.176 COCC(O)CNCCC(C)C 269862a_100000756049_100000185833 [0,2,0,0,0,0|2,0,0]=4 14067 B11R0.176 COCC(O)CNCCC(C)C 34a_100000756049_100000210312 [0,2,0,0,0,0|2,0,0]=4 14068 B11R0.176 COCC(O)CNCCC(C)O 2230a_100000756049_100012276601 [0,2,0,0,0,0|2,0,0]=4 14069 B11R0.176 COCC(O)CNCCC(C)O 34a_100000756049_100012276601 [0,2,0,0,0,0|2,0,0]=4 14070 B11R0.176 COCC(O)COCCC(=O)C 34a_100000759926_100011215053 [0,2,0,0,0,0|1,0,1]=4 14071 B11R0.176 COCC(O)COCCC(=O)C 7a_100000759926_100011215053 [0,2,0,0,0,0|1,0,1]=4 14072 B11R0.176 COCC(O)COCCC(C)Br 34a_100009893172_100011215053 [0,2,0,0,0,0|1,0,0]=3 14073 B11R0.176 COCC(O)COCCC(C)C 34a_100000210254_100011215053 [0,2,0,0,0,0|1,0,0]=3 14074 B11R0.176 COCC(O)COCCC(C)C 7a_100000210254_100011215053 [0,2,0,0,0,0|1,0,0]=3 14075 B11R0.176 COCC(O)COCCC(F)F 34a_100103093639_100011215053 [0,2,0,0,0,0|2,0,0]=4 14076 B11R0.176 COCC(O)COCC[C@@H](C)N 34a_100000706166_100011215053 [0,2,0,0,0,0|1,0,0]=3 14077 B11R0.176 COCC(O)CSCCC(C)C 62a_100000210312_100011215053 [0,2,0,0,0,0|1,1,0]=4 14078 B11R0.176 COCC(O)CSCCC(C)C 62a_100011215053_100000210312 [0,2,0,0,0,0|1,1,0]=4 14079 B11R0.176 COCC(O)CSCCC(C)O 62a_100011215053_100012276601 [0,2,0,0,0,0|1,1,0]=4 14080 B11R0.176 COCC(O)CSCCC(C)O 62a_100012276601_100011215053 [0,2,0,0,0,0|1,1,0]=4 14081 B11R0.176 COC[C@@H](C)NCCCC(C)C 2230a_100000764878_100011214892 [0,2,0,0,0,0|2,0,0]=4 14082 B11R0.176 COC[C@@H](C)NCCCC(C)O 2230a_100000764878_200000718107 [0,2,0,0,0,0|2,0,0]=4 14083 B11R0.176 COC[C@@H](C)OCCCC(=O)C 34a_100011934205_100000685027 [0,2,0,0,0,0|1,0,1]=4 14084 B11R0.176 COC[C@@H](C)OCCCC(C)C 34a_100011934205_100011214892 [0,2,0,0,0,0|1,0,0]=3 14085 B11R0.176 COC[C@@H](C)OCCCC(C)O 34a_100011934205_200000718107 [0,2,0,0,0,0|1,0,0]=3 14086 B11R0.176 COC[C@@H](C)OCCOC(C)C 34a_100011934205_100000211751 [0,2,0,0,0,0|2,0,0]=4 14087 B11R0.176 COC[C@@H](C)OCCSC(C)C 34a_100011934205_100000730970 [0,2,0,0,0,0|2,0,0]=4 14088 B11R0.176 CSCC(C)NCCCC(C)C 270004a_200000737386_100011216314 [0,2,0,0,0,0|2,0,0]=4 14089 B11R0.304 C#CCCCOC(C)(C)CCC 7a_100000748436_100011215417 [0,2,0,0,0,0|0,0,2]=4 14090 B11R0.304 C#CCCOCC(C)(C)CCC 7a_100011995695_100000688953 [0,2,0,0,0,0|0,0,2]=4 14091 B11R0.304 C/C=C/COCC(C)(C)CCC 7a_100011995695_100102629194 [0,2,0,0,0,0|0,0,2]=4 14092 B11R0.304 C=CCC(C)(C)OCCCCC 7a_100011995686_100000210326 [0,2,0,0,0,0|0,0,2]=4 14093 B11R0.304 C=CCCCOC(C)(C)CCC 7a_100000748436_100000757094 [0,2,0,0,0,0|0,0,2]=4 14094 B11R0.304 C=CCCOCC(C)(C)CCC 7a_100011995695_100000754431 [0,2,0,0,0,0|0,0,2]=4 14095 B11R0.304 CC#CCOCC(C)(C)CCC 7a_100011995695_100000748600 [0,2,0,0,0,0|0,0,2]=4 14096 B11R0.304 CC(C)(CCBr)OCCCCF 7a_100000702414_100000729493 [0,2,0,0,0,0|2,0,0]=4 14097 B11R0.304 CC(C)(CCBr)OCCCCO 7a_100000702414_100000210776 [0,2,0,0,0,0|2,0,0]=4 14098 B11R0.304 CC/C=C\COC(C)(C)CCC 7a_100000748436_100103147603 [0,2,0,0,0,0|0,0,2]=4 14099 B11R0.304 CC=CCOCC(C)(C)CCC 7a_100011995695_100000070051 [0,2,0,0,0,0|0,0,2]=4 14100 B11R0.304 CCC#CCOC(C)(C)CCC 7a_100000748436_100009813939 [0,2,0,0,0,0|0,0,2]=4 14101 B11R0.304 CCCC(C)(C)COCCC#N 7a_100011995695_100000184422 [0,2,0,0,0,0|1,0,1]=4 14102 B11R0.304 CCCC(C)(C)COCCCF 7a_100011995695_100011934791 [0,2,0,0,0,0|1,0,0]=3 14103 B11R0.304 CCCC(C)(C)COCCCO 7a_100011995695_100011215043 [0,2,0,0,0,0|1,0,0]=3 14104 B11R0.304 CCCC(C)(C)COCCOC 7a_100011995695_100000233755 [0,2,0,0,0,0|1,0,0]=3 14105 B11R0.304 CCCC(C)(C)COCCSC 7a_100011995695_100000212216 [0,2,0,0,0,0|1,0,0]=3 14106 B11R0.304 CCCC(C)(C)OCCCC#N 7a_100000748436_100000687738 [0,2,0,0,0,0|1,0,1]=4 14107 B11R0.304 CCCC(C)(C)OCCCC=O 7a_100000748436_200011292268 [0,2,0,0,0,0|1,0,1]=4 14108 B11R0.304 CCCC(C)(C)OCCCCF 7a_100000748436_100000729493 [0,2,0,0,0,0|1,0,0]=3 14109 B11R0.304 CCCC(C)(C)OCCCCO 7a_100000748436_100000210776 [0,2,0,0,0,0|1,0,0]=3 14110 B11R0.304 CCCC(C)(C)OCCCOC 7a_100000748436_100000740836 [0,2,0,0,0,0|1,0,0]=3 14111 B11R0.304 CCCC(C)(C)OCCOCC 7a_100000748436_100011215890 [0,2,0,0,0,0|1,0,0]=3 14112 B11R0.304 CCCC(C)(C)OCCSCC 7a_100000748436_100000757381 [0,2,0,0,0,0|1,0,0]=3 14113 B11R0.304 CCCCCCC(C)(C)OCC 7a_200011995690_100000210202 [0,2,0,0,0,0|2,0,0]=4 14114 B11R0.304 CCCCCNC(C)(C)COC 2230a_100000752728_100000210326 [0,2,0,0,0,0|2,0,0]=4 14115 B11R0.304 CCCCCNC(C)(C)CSC 2230a_100000759623_100000210326 [0,2,0,0,0,0|2,0,0]=4 14116 B11R0.304 CCCCCNC(C)(C)CSC 7a_100000759623_100000210326 [0,2,0,0,0,0|2,0,0]=4 14117 B11R0.304 CCCCCNS(=O)(=O)CCC 270084a_100000209983_100000211391 [0,2,0,0,0,0|2,0,0]=4 14118 B11R0.304 CCCCCNS(=O)(=O)CCC 274078a_100000209983_100000211391 [0,2,0,0,0,0|2,0,0]=4 14119 B11R0.304 CCCCCNS(=O)(=O)CCC 40a_100000209983_100000054278 [0,2,0,0,0,0|2,0,0]=4 14120 B11R0.304 CCCCCOC(C)(C)CCBr 7a_100000702414_100000210326 [0,2,0,0,0,0|1,0,0]=3 14121 B11R0.304 CCCCCOC(C)(C)CCC 7a_100000748436_100000210326 [0,2,0,0,0,0|0,0,0]=2 14122 B11R0.304 CCCCNCC(C)(C)COC 2230a_100000734190_100000210211 [0,2,0,0,0,0|2,0,0]=4 14123 B11R0.304 CCCCOCC(C)(C)CCC 7a_100011995695_100000210211 [0,2,0,0,0,0|0,0,0]=2 14124 B11R0.304 CCCCOCC(C)(C)NCC 7a_100000747347_100000210211 [0,2,0,0,0,0|1,0,0]=3 14125 B11R0.304 CCCCOC[N+](C)(C)CCO 7a_100000210227_200010270792 [0,2,0,0,0,0|2,0,0]=4 14126 B11R0.304 CCNC(C)(C)COCCCF 7a_100000747347_100011934791 [0,2,0,0,0,0|2,0,0]=4 14127 B11R0.304 CCNC(C)(C)COCCCO 7a_100000747347_100011215043 [0,2,0,0,0,0|2,0,0]=4 14128 B11R0.304 CCNC(C)(C)COCCOC 7a_100000747347_100000233755 [0,2,0,0,0,0|2,0,0]=4 14129 B11R0.304 CCNC(C)(C)COCCSC 7a_100000747347_100000212216 [0,2,0,0,0,0|2,0,0]=4 14130 B11R0.304 CCOC(C)(C)COCCOC 7a_100000067319_100000210202 [0,2,0,0,0,0|2,0,0]=4 14131 B11R0.304 CCOCCOC(C)(C)CCBr 7a_100000702414_100011215890 [0,2,0,0,0,0|2,0,0]=4 14132 B11R0.304 CCSCCOC(C)(C)CCBr 7a_100000702414_100000757381 [0,2,0,0,0,0|2,0,0]=4 14133 B11R0.304 COCCCOC(C)(C)CCBr 7a_100000702414_100000740836 [0,2,0,0,0,0|2,0,0]=4 14134 B11R0.30 C=C(Br)CCOCCCC(C)C 34a_100009813270_100011214892 [0,2,0,0,0,0|0,0,2]=4 14135 B11R0.30 C=C(Br)CCOCCCC(C)O 34a_100009813270_200000718107 [0,2,0,0,0,0|0,0,2]=4 14136 B11R0.30 C=C(C)CCNCCCC(C)C 2230a_200000737386_100000730704 [0,2,0,0,0,0|1,0,1]=4 14137 B11R0.30 C=C(C)CCNCCCC(C)C 34a_200000737386_100000730704 [0,2,0,0,0,0|1,0,1]=4 14138 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000759063_100000730704 [0,2,0,0,0,0|0,0,2]=4 14139 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000764851_100000685027 [0,2,0,0,0,0|0,0,2]=4 14140 B11R0.30 C=C(C)CCOCCCC(=O)C 7a_100000759063_100000730704 [0,2,0,0,0,0|0,0,2]=4 14141 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000210774_100000730704 [0,2,0,0,0,0|0,0,1]=3 14142 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000764851_100011214892 [0,2,0,0,0,0|0,0,1]=3 14143 B11R0.30 C=C(C)CCOCCCC(C)C 7a_100000210774_100000730704 [0,2,0,0,0,0|0,0,1]=3 14144 B11R0.30 C=C(C)CCOCCCC(C)O 34a_100000764851_200000718107 [0,2,0,0,0,0|0,0,1]=3 14145 B11R0.30 C=C(C)CCOCCNC(C)C 34a_100000224655_100000730704 [0,2,0,0,0,0|1,0,1]=4 14146 B11R0.30 C=C(C)CCOCCOC(C)C 34a_100000211219_100000730704 [0,2,0,0,0,0|1,0,1]=4 14147 B11R0.30 C=C(C)CCOCCOC(C)C 34a_100000764851_100000211751 [0,2,0,0,0,0|1,0,1]=4 14148 B11R0.30 C=C(C)CCOCCOC(C)C 7a_100000211219_100000730704 [0,2,0,0,0,0|1,0,1]=4 14149 B11R0.30 C=C(C)CCOCCSC(C)C 34a_100000764851_100000730970 [0,2,0,0,0,0|1,0,1]=4 14150 B11R0.30 C=C(C)CCOCCSC(C)C 34a_200011212901_100000730704 [0,2,0,0,0,0|1,0,1]=4 14151 B11R0.30 C=C(C)CCOCCSC(C)C 7a_200011212901_100000730704 [0,2,0,0,0,0|1,0,1]=4 14152 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100000730704_100011214892 [0,2,0,0,0,0|0,1,1]=4 14153 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100011214892_100000730704 [0,2,0,0,0,0|0,1,1]=4 14154 B11R0.30 C=C(C)CCSCCCC(C)O 62a_100000730704_200000718107 [0,2,0,0,0,0|0,1,1]=4 14155 B11R0.30 C=C(C)CCSCCCC(C)O 62a_200000718107_100000730704 [0,2,0,0,0,0|0,1,1]=4 14156 B11R0.30 CC(=CCCOCCC(C)Br)C 34a_100009893172_100011217483 [0,2,0,0,0,0|0,0,2]=4 14157 B11R0.30 CC(=CCCOCCC(C)C)C 34a_100000210254_100011217483 [0,2,0,0,0,0|0,0,2]=4 14158 B11R0.30 CC(=CCCOCCC(C)C)C 7a_100000210254_100011217483 [0,2,0,0,0,0|0,0,2]=4 14159 B11R0.30 CC(=CCCOCC[C@@H](C)N)C 34a_100000706166_100011217483 [0,2,0,0,0,0|0,0,2]=4 14160 B11R0.30 CC(=CCOCCCC(C)C)C 34a_100000210774_100000761012 [0,2,0,0,0,0|0,0,2]=4 14161 B11R0.30 CC(=CCOCCCC(C)C)C 34a_100000753907_100011214892 [0,2,0,0,0,0|0,0,2]=4 14162 B11R0.30 CC(=CCOCCCC(C)C)C 7a_100000210774_100000761012 [0,2,0,0,0,0|0,0,2]=4 14163 B11R0.30 CC(=CCOCCCC(C)O)C 34a_100000753907_200000718107 [0,2,0,0,0,0|0,0,2]=4 14164 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [0,2,0,0,0,0|1,0,1]=4 14165 B11R0.30 CC(=O)CCCOCCC(=O)C 34a_100000759926_100000685027 [0,2,0,0,0,0|0,0,2]=4 14166 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759063_100000053229 [0,2,0,0,0,0|0,0,2]=4 14167 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759926_100011215641 [0,2,0,0,0,0|0,0,2]=4 14168 B11R0.30 CC(=O)CCCOCCC(C)Br 34a_100009893172_100000685027 [0,2,0,0,0,0|0,0,1]=3 14169 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000210254_100000685027 [0,2,0,0,0,0|0,0,1]=3 14170 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000759063_100000210312 [0,2,0,0,0,0|0,0,1]=3 14171 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000210254_100011215641 [0,2,0,0,0,0|0,0,1]=3 14172 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000759063_100000210626 [0,2,0,0,0,0|0,0,1]=3 14173 B11R0.30 CC(=O)CCCOCCC(C)O 34a_100000759063_100012276601 [0,2,0,0,0,0|0,0,1]=3 14174 B11R0.30 CC(=O)CCCOCCC(C)O 7a_100000759063_100012276601 [0,2,0,0,0,0|0,0,1]=3 14175 B11R0.30 CC(=O)CCCOCCC(F)F 34a_100103093639_100000685027 [0,2,0,0,0,0|1,0,1]=4 14176 B11R0.30 CC(=O)CCCOCCN(C)C 7a_100000759063_100000755713 [0,2,0,0,0,0|1,0,1]=4 14177 B11R0.30 CC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000685027 [0,2,0,0,0,0|0,0,1]=3 14178 B11R0.30 CC(=O)CCCOCOC(C)C 34a_100000759063_100000709892 [0,2,0,0,0,0|1,0,1]=4 14179 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100000210312_100011215641 [0,2,0,0,0,0|0,1,1]=4 14180 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100011215641_100000210312 [0,2,0,0,0,0|0,1,1]=4 14181 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100011215641_100012276601 [0,2,0,0,0,0|0,1,1]=4 14182 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100012276601_100011215641 [0,2,0,0,0,0|0,1,1]=4 14183 B11R0.30 CC(=O)CCOCCCC(C)C 34a_100000759926_100011214892 [0,2,0,0,0,0|0,0,1]=3 14184 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000210774_100000053229 [0,2,0,0,0,0|0,0,1]=3 14185 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000759926_100011214892 [0,2,0,0,0,0|0,0,1]=3 14186 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [0,2,0,0,0,0|0,0,1]=3 14187 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [0,2,0,0,0,0|0,0,1]=3 14188 B11R0.30 CC(=O)CCOCCCN(C)C 7a_100000759926_100000757444 [0,2,0,0,0,0|1,0,1]=4 14189 B11R0.30 CC(=O)CCOCCOC(C)C 34a_100000759926_100000211751 [0,2,0,0,0,0|1,0,1]=4 14190 B11R0.30 CC(=O)CCOCCOC(C)C 7a_100000211219_100000053229 [0,2,0,0,0,0|1,0,1]=4 14191 B11R0.30 CC(=O)CCOCCOC(C)C 7a_100000759926_100000211751 [0,2,0,0,0,0|1,0,1]=4 14192 B11R0.30 CC(=O)CCOCCSC(C)C 34a_100000759926_100000730970 [0,2,0,0,0,0|1,0,1]=4 14193 B11R0.30 CC(=O)CCOCCSC(C)C 7a_100000759926_100000730970 [0,2,0,0,0,0|1,0,1]=4 14194 B11R0.30 CC(=O)CCOCCSC(C)C 7a_200011212901_100000053229 [0,2,0,0,0,0|1,0,1]=4 14195 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100000053229_100011214892 [0,2,0,0,0,0|0,1,1]=4 14196 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100011214892_100000053229 [0,2,0,0,0,0|0,1,1]=4 14197 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [0,2,0,0,0,0|0,1,1]=4 14198 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [0,2,0,0,0,0|0,1,1]=4 14199 B11R0.30 CC(=O)NCCOCCC(C)C 34a_100000158858_100000210312 [0,2,0,0,0,0|1,0,1]=4 14200 B11R0.30 CC(=O)NCCOCCC(C)C 7a_100000210254_100000189650 [0,2,0,0,0,0|1,0,1]=4 14201 B11R0.30 CC(=O)NCCOCCC(C)O 34a_100000158858_100012276601 [0,2,0,0,0,0|1,0,1]=4 14202 B11R0.30 CC(=O)OCCOCCC(C)Br 34a_100009893172_100009814007 [0,2,0,0,0,0|1,0,1]=4 14203 B11R0.30 CC(=O)OCCOCCC(C)C 34a_100000210254_100009814007 [0,2,0,0,0,0|1,0,1]=4 14204 B11R0.30 CC(=O)OCCOCCC(C)C 7a_100000210254_100009814007 [0,2,0,0,0,0|1,0,1]=4 14205 B11R0.30 CC(=O)OCCOCC[C@@H](C)N 34a_100000706166_100009814007 [0,2,0,0,0,0|1,0,1]=4 14206 B11R0.30 CC(=O)OCOCCCC(C)C 34a_100000210774_100009813279 [0,2,0,0,0,0|1,0,1]=4 14207 B11R0.30 CC(Br)CCOCCCC(=O)N 34a_100009893172_100102525003 [0,2,0,0,0,0|1,0,1]=4 14208 B11R0.30 CC(Br)CCOCCOC(C)C 34a_100009893172_100000211751 [0,2,0,0,0,0|1,0,0]=3 14209 B11R0.30 CC(Br)CCOCCSC(C)C 34a_100009893172_100000730970 [0,2,0,0,0,0|1,0,0]=3 14210 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [0,2,0,0,0,0|1,0,1]=4 14211 B11R0.30 CC(C)CCCCCNC(C)C 2230a_100011290863_100000210206 [0,2,0,0,0,0|2,0,0]=4 14212 B11R0.30 CC(C)CCCCCNC(C)C 2230a_100138425928_100000210682 [0,2,0,0,0,0|2,0,0]=4 14213 B11R0.30 CC(C)CCCCCNC(C)C 34a_100011290863_100000210206 [0,2,0,0,0,0|2,0,0]=4 14214 B11R0.30 CC(C)CCCCCNC(C)C 34a_100138425928_100000210682 [0,2,0,0,0,0|2,0,0]=4 14215 B11R0.30 CC(C)CCCCCOC(C)C 34a_100000212225_100000210682 [0,2,0,0,0,0|2,0,0]=4 14216 B11R0.30 CC(C)CCCCCOC(C)C 34a_100011995859_100000210206 [0,2,0,0,0,0|2,0,0]=4 14217 B11R0.30 CC(C)CCCCCOC(C)C 7a_100011995859_100000210206 [0,2,0,0,0,0|2,0,0]=4 14218 B11R0.30 CC(C)CCCCCSC(C)C 62a_100000210206_100000210682 [0,2,0,0,0,0|2,0,0]=4 14219 B11R0.30 CC(C)CCCCCSC(C)C 62a_100000210682_100000210206 [0,2,0,0,0,0|2,0,0]=4 14220 B11R0.30 CC(C)CCCCNCC(C)C 2230a_100000210953_100011216152 [0,2,0,0,0,0|2,0,0]=4 14221 B11R0.30 CC(C)CCCCNCC(C)C 34a_100000210953_100011216152 [0,2,0,0,0,0|2,0,0]=4 14222 B11R0.30 CC(C)CCCCNCC(C)O 2230a_100000210904_100011216152 [0,2,0,0,0,0|2,0,0]=4 14223 B11R0.30 CC(C)CCCCNCC(C)O 34a_100000210904_100011216152 [0,2,0,0,0,0|2,0,0]=4 14224 B11R0.30 CC(C)CCCCOCC(C)Br 34a_100012180447_100011216152 [0,2,0,0,0,0|2,0,0]=4 14225 B11R0.30 CC(C)CCCCOCC(C)C 34a_100000210257_100011216152 [0,2,0,0,0,0|2,0,0]=4 14226 B11R0.30 CC(C)CCCCOCC(C)C 34a_100011214890_100000210624 [0,2,0,0,0,0|2,0,0]=4 14227 B11R0.30 CC(C)CCCCOCC(C)C 7a_100011214890_100000210760 [0,2,0,0,0,0|2,0,0]=4 14228 B11R0.30 CC(C)CCCCOCC(C)F 34a_100015925927_100011216152 [0,2,0,0,0,0|2,0,0]=4 14229 B11R0.30 CC(C)CCCCOCC(C)O 34a_100011214890_100011218427 [0,2,0,0,0,0|2,0,0]=4 14230 B11R0.30 CC(C)CCCCOCC(C)O 7a_100011214890_100011218427 [0,2,0,0,0,0|2,0,0]=4 14231 B11R0.30 CC(C)CCCCOC[C@@H](C)Cl 34a_100016084084_100011216152 [0,2,0,0,0,0|2,0,0]=4 14232 B11R0.30 CC(C)CCCCOC[C@@H](C)N 34a_100000737577_100011216152 [0,2,0,0,0,0|2,0,0]=4 14233 B11R0.30 CC(C)CCCCOC[C@@H](C)O 34a_100011214890_100009817552 [0,2,0,0,0,0|2,0,0]=4 14234 B11R0.30 CC(C)CCCCOC[C@@H](C)O 7a_100011214890_100009817552 [0,2,0,0,0,0|2,0,0]=4 14235 B11R0.30 CC(C)CCCCSCC(C)C 62a_100000210624_100011216152 [0,2,0,0,0,0|2,0,0]=4 14236 B11R0.30 CC(C)CCCCSCC(C)C 62a_100011216152_100000210760 [0,2,0,0,0,0|2,0,0]=4 14237 B11R0.30 CC(C)CCCCSCC(C)O 62a_100011216152_100011218427 [0,2,0,0,0,0|2,0,0]=4 14238 B11R0.30 CC(C)CCCCSCC(C)O 62a_100011218427_100011216152 [0,2,0,0,0,0|2,0,0]=4 14239 B11R0.30 CC(C)CCCCSC[C@@H](C)O 62a_100009817552_100011216152 [0,2,0,0,0,0|2,0,0]=4 14240 B11R0.30 CC(C)CCCCSC[C@@H](C)O 62a_100011216152_100009817552 [0,2,0,0,0,0|2,0,0]=4 14241 B11R0.30 CC(C)CCCNCCC(C)C 2230a_200000737386_100000210312 [0,2,0,0,0,0|1,0,0]=3 14242 B11R0.30 CC(C)CCCNCCC(C)C 269862a_200000737386_100000185833 [0,2,0,0,0,0|1,0,0]=3 14243 B11R0.30 CC(C)CCCNCCC(C)C 34a_200000737386_100000210312 [0,2,0,0,0,0|1,0,0]=3 14244 B11R0.30 CC(C)CCCNCCC(C)O 2230a_200000737386_100012276601 [0,2,0,0,0,0|1,0,0]=3 14245 B11R0.30 CC(C)CCCNCCC(C)O 2230a_200000755665_100011214892 [0,2,0,0,0,0|1,0,0]=3 14246 B11R0.30 CC(C)CCCNCCC(C)O 34a_200000737386_100012276601 [0,2,0,0,0,0|1,0,0]=3 14247 B11R0.30 CC(C)CCCNCOC(C)C 2230a_200000737386_100000709892 [0,2,0,0,0,0|2,0,0]=4 14248 B11R0.30 CC(C)CCCNCOC(C)C 34a_200000737386_100000709892 [0,2,0,0,0,0|2,0,0]=4 14249 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000210774_100000731001 [0,2,0,0,0,0|1,0,1]=4 14250 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000757172_100011214892 [0,2,0,0,0,0|1,0,1]=4 14251 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000210774_100000744528 [0,2,0,0,0,0|1,0,1]=4 14252 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000757172_100011214892 [0,2,0,0,0,0|1,0,1]=4 14253 B11R0.30 CC(C)CCCOCCC(C)Br 34a_100009893172_100011214892 [0,2,0,0,0,0|0,0,0]=2 14254 B11R0.30 CC(C)CCCOCCC(C)C 34a_100000210254_100011214892 [0,2,0,0,0,0|0,0,0]=2 14255 B11R0.30 CC(C)CCCOCCC(C)C 34a_100000210774_100000210312 [0,2,0,0,0,0|0,0,0]=2 14256 B11R0.30 CC(C)CCCOCCC(C)C 7a_100000210254_100011214892 [0,2,0,0,0,0|0,0,0]=2 14257 B11R0.30 CC(C)CCCOCCC(C)C 7a_100000210774_100000210626 [0,2,0,0,0,0|0,0,0]=2 14258 B11R0.30 CC(C)CCCOCCC(C)O 34a_100000210774_100012276601 [0,2,0,0,0,0|0,0,0]=2 14259 B11R0.30 CC(C)CCCOCCC(C)O 7a_100000210774_100012276601 [0,2,0,0,0,0|0,0,0]=2 14260 B11R0.30 CC(C)CCCOCCC(F)F 34a_100103093639_100011214892 [0,2,0,0,0,0|1,0,0]=3 14261 B11R0.30 CC(C)CCCOCCN(C)C 7a_100000210774_100000755713 [0,2,0,0,0,0|1,0,0]=3 14262 B11R0.30 CC(C)CCCOCC[C@@H](C)N 34a_100000706166_100011214892 [0,2,0,0,0,0|0,0,0]=2 14263 B11R0.30 CC(C)CCCOCOC(C)C 34a_100000210774_100000709892 [0,2,0,0,0,0|1,0,0]=3 14264 B11R0.30 CC(C)CCCSCCC(C)C 62a_100000210312_100011214892 [0,2,0,0,0,0|0,1,0]=3 14265 B11R0.30 CC(C)CCCSCCC(C)C 62a_100011214892_100000210312 [0,2,0,0,0,0|0,1,0]=3 14266 B11R0.30 CC(C)CCCSCCC(C)O 62a_100011214892_100012276601 [0,2,0,0,0,0|0,1,0]=3 14267 B11R0.30 CC(C)CCCSCCC(C)O 62a_100012276601_100011214892 [0,2,0,0,0,0|0,1,0]=3 14268 B11R0.30 CC(C)CCCSCCN(C)C 62a_100011214892_100000755713 [0,2,0,0,0,0|1,1,0]=4 14269 B11R0.30 CC(C)CCCSCOC(C)C 62a_100000709892_100011214892 [0,2,0,0,0,0|1,1,0]=4 14270 B11R0.30 CC(C)CCCSCOC(C)C 62a_100011214892_100000709892 [0,2,0,0,0,0|1,1,0]=4 14271 B11R0.30 CC(C)CCNCCCN(C)C 269862a_102531767803_100000185833 [0,2,0,0,0,0|2,0,0]=4 14272 B11R0.30 CC(C)CCNCCCS(=O)C 2230a_200000753449_100000210312 [0,2,0,0,0,0|2,0,0]=4 14273 B11R0.30 CC(C)CCNCCOC(C)C 2230a_100000701111_100000210312 [0,2,0,0,0,0|2,0,0]=4 14274 B11R0.30 CC(C)CCNCCOC(C)C 269862a_100000701111_100000185833 [0,2,0,0,0,0|2,0,0]=4 14275 B11R0.30 CC(C)CCNCCOC(C)C 34a_100000701111_100000210312 [0,2,0,0,0,0|2,0,0]=4 14276 B11R0.30 CC(C)CCNCCSC(C)C 2230a_100000731138_100000210312 [0,2,0,0,0,0|2,0,0]=4 14277 B11R0.30 CC(C)CCNCCSC(C)C 269862a_100000731138_100000185833 [0,2,0,0,0,0|2,0,0]=4 14278 B11R0.30 CC(C)CCNCCSC(C)C 34a_100000731138_100000210312 [0,2,0,0,0,0|2,0,0]=4 14279 B11R0.30 CC(C)CCOCCCC(=O)N 34a_100000210254_100102525003 [0,2,0,0,0,0|1,0,1]=4 14280 B11R0.30 CC(C)CCOCCCC(=O)N 7a_100000210254_100102525003 [0,2,0,0,0,0|1,0,1]=4 14281 B11R0.30 CC(C)CCOCCCC(C)O 34a_100000210254_200000718107 [0,2,0,0,0,0|0,0,0]=2 14282 B11R0.30 CC(C)CCOCCCC(C)O 7a_100000210254_200000718107 [0,2,0,0,0,0|0,0,0]=2 14283 B11R0.30 CC(C)CCOCCCN(C)C 7a_100000210254_100000757444 [0,2,0,0,0,0|1,0,0]=3 14284 B11R0.30 CC(C)CCOCCC[N+](=O)[O-] 34a_200000037920_100000210312 [0,2,0,0,0,0|2,0,0]=4 14285 B11R0.30 CC(C)CCOCCNC(C)C 34a_100000224655_100000210312 [0,2,0,0,0,0|1,0,0]=3 14286 B11R0.30 CC(C)CCOCCOC(C)C 34a_100000210254_100000211751 [0,2,0,0,0,0|1,0,0]=3 14287 B11R0.30 CC(C)CCOCCOC(C)C 34a_100000211219_100000210312 [0,2,0,0,0,0|1,0,0]=3 14288 B11R0.30 CC(C)CCOCCOC(C)C 7a_100000210254_100000211751 [0,2,0,0,0,0|1,0,0]=3 14289 B11R0.30 CC(C)CCOCCOC(C)C 7a_100000211219_100000210626 [0,2,0,0,0,0|1,0,0]=3 14290 B11R0.30 CC(C)CCOCCSC(C)C 34a_100000210254_100000730970 [0,2,0,0,0,0|1,0,0]=3 14291 B11R0.30 CC(C)CCOCCSC(C)C 34a_200011212901_100000210312 [0,2,0,0,0,0|1,0,0]=3 14292 B11R0.30 CC(C)CCOCCSC(C)C 7a_100000210254_100000730970 [0,2,0,0,0,0|1,0,0]=3 14293 B11R0.30 CC(C)CCOCCSC(C)C 7a_200011212901_100000210626 [0,2,0,0,0,0|1,0,0]=3 14294 B11R0.30 CC(C)CCSCCCC(C)O 62a_100000210312_200000718107 [0,2,0,0,0,0|0,1,0]=3 14295 B11R0.30 CC(C)CCSCCCC(C)O 62a_200000718107_100000210312 [0,2,0,0,0,0|0,1,0]=3 14296 B11R0.30 CC(C)CCSCCCN(C)C 62a_100000210312_100000757444 [0,2,0,0,0,0|1,1,0]=4 14297 B11R0.30 CC(C)CCSCCOC(C)C 62a_100000210312_100000211751 [0,2,0,0,0,0|1,1,0]=4 14298 B11R0.30 CC(C)CCSCCOC(C)C 62a_100000211751_100000210312 [0,2,0,0,0,0|1,1,0]=4 14299 B11R0.30 CC(C)CCSCCSC(C)C 62a_100000210312_100000730970 [0,2,0,0,0,0|1,1,0]=4 14300 B11R0.30 CC(C)CCSCCSC(C)C 62a_100000730970_100000210312 [0,2,0,0,0,0|1,1,0]=4 14301 B11R0.30 CC(C)NCCOCOC(C)C 34a_100000224655_100000709892 [0,2,0,0,0,0|2,0,0]=4 14302 B11R0.30 CC(C)OCCOCCC(F)F 34a_100103093639_100000211751 [0,2,0,0,0,0|2,0,0]=4 14303 B11R0.30 CC(C)OCCOCCN(C)C 7a_100000211219_100000755713 [0,2,0,0,0,0|2,0,0]=4 14304 B11R0.30 CC(C)OCCOCC[C@@H](C)N 34a_100000706166_100000211751 [0,2,0,0,0,0|1,0,0]=3 14305 B11R0.30 CC(C)OCCOCOC(C)C 34a_100000211219_100000709892 [0,2,0,0,0,0|2,0,0]=4 14306 B11R0.30 CC(C)OCOCCSC(C)C 34a_200011212901_100000709892 [0,2,0,0,0,0|2,0,0]=4 14307 B11R0.30 CC(C)SCCOCCC(F)F 34a_100103093639_100000730970 [0,2,0,0,0,0|2,0,0]=4 14308 B11R0.30 CC(C)SCCOCCN(C)C 7a_200011212901_100000755713 [0,2,0,0,0,0|2,0,0]=4 14309 B11R0.30 CC(C)SCCOCC[C@@H](C)N 34a_100000706166_100000730970 [0,2,0,0,0,0|1,0,0]=3 14310 B11R0.30 CC(O)CCCNCCC(C)O 2230a_200000755665_200000718107 [0,2,0,0,0,0|1,0,0]=3 14311 B11R0.30 CC(O)CCCOCCC(=O)N 34a_100000757172_200000718107 [0,2,0,0,0,0|1,0,1]=4 14312 B11R0.30 CC(O)CCCOCCC(=O)N 7a_100000757172_200000718107 [0,2,0,0,0,0|1,0,1]=4 14313 B11R0.30 CC(O)CCCOCCC(C)Br 34a_100009893172_200000718107 [0,2,0,0,0,0|0,0,0]=2 14314 B11R0.30 CC(O)CCCOCCC(F)F 34a_100103093639_200000718107 [0,2,0,0,0,0|1,0,0]=3 14315 B11R0.30 CC(O)CCCOCC[C@@H](C)N 34a_100000706166_200000718107 [0,2,0,0,0,0|0,0,0]=2 14316 B11R0.30 CC(O)CCCSCCC(C)O 62a_100012276601_200000718107 [0,2,0,0,0,0|0,1,0]=3 14317 B11R0.30 CC(O)CCCSCCC(C)O 62a_200000718107_100012276601 [0,2,0,0,0,0|0,1,0]=3 14318 B11R0.30 CC(O)CCCSCCN(C)C 62a_200000718107_100000755713 [0,2,0,0,0,0|1,1,0]=4 14319 B11R0.30 CC(O)CCCSCOC(C)C 62a_100000709892_200000718107 [0,2,0,0,0,0|1,1,0]=4 14320 B11R0.30 CC(O)CCCSCOC(C)C 62a_200000718107_100000709892 [0,2,0,0,0,0|1,1,0]=4 14321 B11R0.30 CC(O)CCNCCCS(=O)C 2230a_200000753449_100012276601 [0,2,0,0,0,0|2,0,0]=4 14322 B11R0.30 CC(O)CCNCCOC(C)C 2230a_100000701111_100012276601 [0,2,0,0,0,0|2,0,0]=4 14323 B11R0.30 CC(O)CCNCCOC(C)C 2230a_200000755665_100000211751 [0,2,0,0,0,0|2,0,0]=4 14324 B11R0.30 CC(O)CCNCCOC(C)C 34a_100000701111_100012276601 [0,2,0,0,0,0|2,0,0]=4 14325 B11R0.30 CC(O)CCNCCSC(C)C 2230a_100000731138_100012276601 [0,2,0,0,0,0|2,0,0]=4 14326 B11R0.30 CC(O)CCNCCSC(C)C 2230a_200000755665_100000730970 [0,2,0,0,0,0|2,0,0]=4 14327 B11R0.30 CC(O)CCNCCSC(C)C 34a_100000731138_100012276601 [0,2,0,0,0,0|2,0,0]=4 14328 B11R0.30 CC(O)CCOCCC[N+](=O)[O-] 34a_200000037920_100012276601 [0,2,0,0,0,0|2,0,0]=4 14329 B11R0.30 CC(O)CCOCCNC(C)C 34a_100000224655_100012276601 [0,2,0,0,0,0|1,0,0]=3 14330 B11R0.30 CC(O)CCOCCOC(C)C 34a_100000211219_100012276601 [0,2,0,0,0,0|1,0,0]=3 14331 B11R0.30 CC(O)CCOCCOC(C)C 7a_100000211219_100012276601 [0,2,0,0,0,0|1,0,0]=3 14332 B11R0.30 CC(O)CCOCCSC(C)C 34a_200011212901_100012276601 [0,2,0,0,0,0|1,0,0]=3 14333 B11R0.30 CC(O)CCOCCSC(C)C 7a_200011212901_100012276601 [0,2,0,0,0,0|1,0,0]=3 14334 B11R0.30 CC(O)CCSCCCN(C)C 62a_100012276601_100000757444 [0,2,0,0,0,0|1,1,0]=4 14335 B11R0.30 CC(O)CCSCCOC(C)C 62a_100000211751_100012276601 [0,2,0,0,0,0|1,1,0]=4 14336 B11R0.30 CC(O)CCSCCOC(C)C 62a_100012276601_100000211751 [0,2,0,0,0,0|1,1,0]=4 14337 B11R0.30 CC(O)CCSCCSC(C)C 62a_100000730970_100012276601 [0,2,0,0,0,0|1,1,0]=4 14338 B11R0.30 CC(O)CCSCCSC(C)C 62a_100012276601_100000730970 [0,2,0,0,0,0|1,1,0]=4 14339 B11R0.30 C[C@@H](N)CCOCCCC(=O)N 34a_100000706166_100102525003 [0,2,0,0,0,0|1,0,1]=4 14340 B11R0.40 C#C/C(=C\COCCCCC)/C 34a_100016990848_100000718602 [0,2,0,0,0,0|0,0,2]=4 14341 B11R0.40 C#CC(C)NCCCCCCC 2230a_100000707721_100000210681 [0,2,0,0,0,0|2,0,0]=4 14342 B11R0.40 C#CC(C)NCCCCCCC 34a_100000707721_100000210614 [0,2,0,0,0,0|2,0,0]=4 14343 B11R0.40 C#CC(C)NCCOCCCC 2230a_100000707721_100000743108 [0,2,0,0,0,0|1,0,0]=3 14344 B11R0.40 C#CC(C)NCCOCCCC 34a_100000707721_100000743108 [0,2,0,0,0,0|1,0,0]=3 14345 B11R0.40 C#CC(C)NCCOCCOC 2230a_100000707721_100000695917 [0,2,0,0,0,0|2,0,0]=4 14346 B11R0.40 C#CC(C)NCCOCCOC 34a_100000707721_100000695917 [0,2,0,0,0,0|2,0,0]=4 14347 B11R0.40 C#CC(C)NCCOCCOC 34a_100000745349_200000035995 [0,2,0,0,0,0|2,0,0]=4 14348 B11R0.40 C#CC(C)OCCCCCCC 34a_100000210272_200000035995 [0,2,0,0,0,0|2,0,0]=4 14349 B11R0.40 C#CC(C)OCCOCCCC 34a_100000210238_200000035995 [0,2,0,0,0,0|1,0,0]=3 14350 B11R0.40 C#CC(C)OCCOCCNC 34a_100000228057_200000035995 [0,2,0,0,0,0|2,0,0]=4 14351 B11R0.40 C#CC(C)OCCOCCOC 34a_100011215163_200000035995 [0,2,0,0,0,0|2,0,0]=4 14352 B11R0.40 C#CC(C)OCCSCCCC 34a_200000230436_200000035995 [0,2,0,0,0,0|1,1,0]=4 14353 B11R0.40 C#CC(C)SCCCCCCC 62a_200000035995_100000210316 [0,2,0,0,0,0|2,0,0]=4 14354 B11R0.40 C#CC(C)SCCOCCCC 62a_200000035995_100000743108 [0,2,0,0,0,0|1,0,0]=3 14355 B11R0.40 C#CC(C)SCCOCCOC 62a_200000035995_100000695917 [0,2,0,0,0,0|2,0,0]=4 14356 B11R0.40 C#CCCCCNCC(C)CC 2230a_100000706060_100000748023 [0,2,0,0,0,0|1,0,1]=4 14357 B11R0.40 C#CCCCCNCC(C)CC 2230a_100020588543_100010269958 [0,2,0,0,0,0|1,0,1]=4 14358 B11R0.40 C#CCCCCNCC(C)CC 34a_100000706060_100000748023 [0,2,0,0,0,0|1,0,1]=4 14359 B11R0.40 C#CCCCCNCC(O)CC 2230a_100000706060_100011218378 [0,2,0,0,0,0|1,0,1]=4 14360 B11R0.40 C#CCCCCNCC(O)CC 2230a_100011218483_100010269958 [0,2,0,0,0,0|1,0,1]=4 14361 B11R0.40 C#CCCCCNCC(O)CC 34a_100000706060_100011218378 [0,2,0,0,0,0|1,0,1]=4 14362 B11R0.40 C#CCCCCNC[C@@H](C)CC 2230a_100000706060_100009816398 [0,2,0,0,0,0|1,0,1]=4 14363 B11R0.40 C#CCCCCNC[C@@H](C)CC 34a_100000706060_100009816398 [0,2,0,0,0,0|1,0,1]=4 14364 B11R0.40 C#CCCCCOCC(=O)CC 34a_100000725409_100010269958 [0,2,0,0,0,0|0,0,2]=4 14365 B11R0.40 C#CCCCCOCC(=O)CC 7a_100000766709_100000747405 [0,2,0,0,0,0|0,0,2]=4 14366 B11R0.40 C#CCCCCOCC(C)CC 34a_100000766709_100000748023 [0,2,0,0,0,0|0,0,1]=3 14367 B11R0.40 C#CCCCCOCC(C)CC 7a_100000766709_100000748023 [0,2,0,0,0,0|0,0,1]=3 14368 B11R0.40 C#CCCCCOCC(C)CN 34a_100000744482_100010269958 [0,2,0,0,0,0|1,0,1]=4 14369 B11R0.40 C#CCCCCOCC(C)OC 34a_100000690652_100010269958 [0,2,0,0,0,0|1,0,1]=4 14370 B11R0.40 C#CCCCCOCC(Cl)CCl 34a_100000033668_100010269958 [0,2,0,0,0,0|1,0,1]=4 14371 B11R0.40 C#CCCCCOCC(O)CC 34a_100000766709_100011218378 [0,2,0,0,0,0|0,0,1]=3 14372 B11R0.40 C#CCCCCOCC(O)CC 7a_100000766709_100011218378 [0,2,0,0,0,0|0,0,1]=3 14373 B11R0.40 C#CCCCCOCC(O)CO 34a_100000766709_100011219619 [0,2,0,0,0,0|1,0,1]=4 14374 B11R0.40 C#CCCCCOCC(O)CO 7a_100000766709_100011219619 [0,2,0,0,0,0|1,0,1]=4 14375 B11R0.40 C#CCCCCOC[C@@H](C)CC 34a_100000766709_100009816398 [0,2,0,0,0,0|0,0,1]=3 14376 B11R0.40 C#CCCCCOC[C@@H](C)CC 7a_100000766709_100009816398 [0,2,0,0,0,0|0,0,1]=3 14377 B11R0.40 C#CCCCCOC[C@@H](C)CC 7a_100009816381_100010269958 [0,2,0,0,0,0|0,0,1]=3 14378 B11R0.40 C#CCCCCOC[C@@H](C)CO 34a_100000766709_100000059175 [0,2,0,0,0,0|1,0,1]=4 14379 B11R0.40 C#CCCCCOC[C@@H](C)CO 7a_100000766709_100000059175 [0,2,0,0,0,0|1,0,1]=4 14380 B11R0.40 C#CCCCCOC[C@@H](O)CF 34a_100000766709_100015614560 [0,2,0,0,0,0|1,0,1]=4 14381 B11R0.40 C#CCCCCOC[C@@H](O)CF 7a_100000766709_100015614560 [0,2,0,0,0,0|1,0,1]=4 14382 B11R0.40 C#CCCCCOC[C@@H](O)CO 34a_100000766709_100009815848 [0,2,0,0,0,0|1,0,1]=4 14383 B11R0.40 C#CCCCCOC[C@@H](O)CO 7a_100000766709_100009815848 [0,2,0,0,0,0|1,0,1]=4 14384 B11R0.40 C#CCCCCOC[C@H](F)CN 34a_100015665980_100010269958 [0,2,0,0,0,0|1,0,1]=4 14385 B11R0.40 C#CCCCCSCC(C)CC 62a_100000748023_100010269958 [0,2,0,0,0,0|0,1,1]=4 14386 B11R0.40 C#CCCCCSCC(C)CC 62a_100010269958_100000748023 [0,2,0,0,0,0|0,1,1]=4 14387 B11R0.40 C#CCCCCSCC(O)CC 62a_100010269958_100011218378 [0,2,0,0,0,0|0,1,1]=4 14388 B11R0.40 C#CCCCCSCC(O)CC 62a_100011218378_100010269958 [0,2,0,0,0,0|0,1,1]=4 14389 B11R0.40 C#CCCCCSC[C@@H](C)CC 62a_100009816398_100010269958 [0,2,0,0,0,0|0,1,1]=4 14390 B11R0.40 C#CCCCCSC[C@@H](C)CC 62a_100010269958_100009816398 [0,2,0,0,0,0|0,1,1]=4 14391 B11R0.40 C#CCCCNCCC(C)CC 2230a_100020591266_100000731252 [0,2,0,0,0,0|1,0,1]=4 14392 B11R0.40 C#CCCCOCCC(C)CC 7a_100011215188_100011215417 [0,2,0,0,0,0|0,0,1]=3 14393 B11R0.40 C#CCCCOCCC(C)OC 7a_100000764861_100011215417 [0,2,0,0,0,0|0,0,2]=4 14394 B11R0.40 C#CCCOCCCC(C)CC 7a_100011216074_100000688953 [0,2,0,0,0,0|0,0,2]=4 14395 B11R0.40 C#CCCOCCC[C@@H](C)CN 34a_100160569302_100000688953 [0,2,0,0,0,0|0,0,2]=4 14396 B11R0.40 C#CCOCCOCC(C)CC 34a_100000054580_100000748023 [0,2,0,0,0,0|0,0,2]=4 14397 B11R0.40 C#CCOCCOCC(C)CC 7a_100000054580_100000748023 [0,2,0,0,0,0|0,0,2]=4 14398 B11R0.40 C#CCOCCOCC(O)CC 34a_100000054580_100011218378 [0,2,0,0,0,0|0,0,2]=4 14399 B11R0.40 C#CCOCCOCC(O)CC 7a_100000054580_100011218378 [0,2,0,0,0,0|0,0,2]=4 14400 B11R0.40 C#CCOCCOC[C@@H](C)CC 34a_100000054580_100009816398 [0,2,0,0,0,0|0,0,2]=4 14401 B11R0.40 C#CCOCCOC[C@@H](C)CC 7a_100000054580_100009816398 [0,2,0,0,0,0|0,0,2]=4 14402 B11R0.40 C#CCOCCOC[C@@H](C)CC 7a_100009816381_100010402529 [0,2,0,0,0,0|0,0,2]=4 14403 B11R0.40 C#C[C@@H](C)OCCCCCCC 34a_100009815206_100000210614 [0,2,0,0,0,0|2,0,0]=4 14404 B11R0.40 C#C[C@@H](C)OCCCCCCC 7a_100009815206_100000210614 [0,2,0,0,0,0|2,0,0]=4 14405 B11R0.40 C#C[C@@H](C)OCCOCCCC 34a_100009815206_100000743108 [0,2,0,0,0,0|1,0,0]=3 14406 B11R0.40 C#C[C@@H](C)OCCOCCCC 7a_100009815206_100000743108 [0,2,0,0,0,0|1,0,0]=3 14407 B11R0.40 C#C[C@@H](C)OCCOCCOC 34a_100009815206_100000695917 [0,2,0,0,0,0|2,0,0]=4 14408 B11R0.40 C#C[C@@H](C)OCCOCCOC 7a_100009815206_100000695917 [0,2,0,0,0,0|2,0,0]=4 14409 B11R0.40 C/C=C/COCCCC(C)CC 7a_100011216074_100102629194 [0,2,0,0,0,0|0,0,2]=4 14410 B11R0.40 C/C=C/COCCC[C@@H](C)CN 34a_100160569302_100102629194 [0,2,0,0,0,0|0,0,2]=4 14411 B11R0.40 C=CC(C)COCCCCCC 34a_100011215527_100000210314 [0,2,0,0,0,0|0,0,2]=4 14412 B11R0.40 C=CC(C)COCCCCCC 7a_100011215527_100000210314 [0,2,0,0,0,0|0,0,2]=4 14413 B11R0.40 C=CC(C)COCCCCCF 34a_100011215527_100000729378 [0,2,0,0,0,0|0,0,2]=4 14414 B11R0.40 C=CC(C)COCCCCCF 7a_100011215527_100000729378 [0,2,0,0,0,0|0,0,2]=4 14415 B11R0.40 C=CC(C)COCCCCCO 34a_100011215527_100000746330 [0,2,0,0,0,0|0,0,2]=4 14416 B11R0.40 C=CC(C)COCCCCCO 7a_100011215527_100000746330 [0,2,0,0,0,0|0,0,2]=4 14417 B11R0.40 C=CC(C)COCCCCOC 34a_100011215527_100000755781 [0,2,0,0,0,0|0,0,2]=4 14418 B11R0.40 C=CC(C)COCCCCOC 7a_100011215527_100000730899 [0,2,0,0,0,0|0,0,2]=4 14419 B11R0.40 C=CC(C)COCCCOCC 34a_100011215527_100012232248 [0,2,0,0,0,0|0,0,2]=4 14420 B11R0.40 C=CC(C)COCCCOCC 7a_100011215527_100012232248 [0,2,0,0,0,0|0,0,2]=4 14421 B11R0.40 C=CC(C)COCCOCCC 34a_100011215527_100011215938 [0,2,0,0,0,0|0,0,2]=4 14422 B11R0.40 C=CC(C)COCCOCCC 7a_100011215527_100011215938 [0,2,0,0,0,0|0,0,2]=4 14423 B11R0.40 C=CC(C)COCOCCCC 34a_100011215527_100011995733 [0,2,0,0,0,0|1,0,0]=3 14424 B11R0.40 C=CC(C)OCCCCCCC 34a_100000695699_100000210614 [0,2,0,0,0,0|2,0,0]=4 14425 B11R0.40 C=CC(C)OCCOCCCC 34a_100000695699_100000743108 [0,2,0,0,0,0|1,0,0]=3 14426 B11R0.40 C=CC(C)OCCOCCOC 34a_100000695699_100000695917 [0,2,0,0,0,0|2,0,0]=4 14427 B11R0.40 C=CC(C)SCCCCCCC 62a_100011215867_100000210316 [0,2,0,0,0,0|2,0,0]=4 14428 B11R0.40 C=CC(C)SCCOCCCC 62a_100011215867_100000743108 [0,2,0,0,0,0|1,0,0]=3 14429 B11R0.40 C=CC(C)SCCOCCOC 62a_100011215867_100000695917 [0,2,0,0,0,0|2,0,0]=4 14430 B11R0.40 C=CC(O)COCCCCCBr 34a_100000746331_100000730141 [0,2,0,0,0,0|0,0,2]=4 14431 B11R0.40 C=CC(O)COCCCCCBr 7a_100000746331_100000730141 [0,2,0,0,0,0|0,0,2]=4 14432 B11R0.40 C=CC(O)COCCCCCC 34a_100000210259_100000730141 [0,2,0,0,0,0|0,0,2]=4 14433 B11R0.40 C=CC(O)COCCCCCC 7a_100000210259_100000730141 [0,2,0,0,0,0|0,0,2]=4 14434 B11R0.40 C=CC(O)COCCCCCCl 34a_100000746330_100000730141 [0,2,0,0,0,0|0,0,2]=4 14435 B11R0.40 C=CC(O)COCCCCCCl 7a_100000746330_100000730141 [0,2,0,0,0,0|0,0,2]=4 14436 B11R0.40 C=CC(O)COCCCCCI 34a_200012148887_100000730141 [0,2,0,0,0,0|0,0,2]=4 14437 B11R0.40 C=CC(O)COCCCCCI 7a_200012148887_100000730141 [0,2,0,0,0,0|0,0,2]=4 14438 B11R0.40 C=CC(O)COCCCCCN 34a_100000762737_100000730141 [0,2,0,0,0,0|0,0,2]=4 14439 B11R0.40 C=CC(O)COCCCCOC 34a_100000740925_100000730141 [0,2,0,0,0,0|0,0,2]=4 14440 B11R0.40 C=CC(O)COCCCCSC 34a_100011217163_100000730141 [0,2,0,0,0,0|0,0,2]=4 14441 B11R0.40 C=CC(O)COCCCCSC 7a_100011217163_100000730141 [0,2,0,0,0,0|0,0,2]=4 14442 B11R0.40 C=CC(O)COCCCOCC 34a_100000757476_100000730141 [0,2,0,0,0,0|0,0,2]=4 14443 B11R0.40 C=CC(O)COCCCOCC 7a_100000757476_100000730141 [0,2,0,0,0,0|0,0,2]=4 14444 B11R0.40 C=CC(O)COCCCSCC 34a_100011216438_100000730141 [0,2,0,0,0,0|0,0,2]=4 14445 B11R0.40 C=CC(O)COCCCSCC 7a_100011216438_100000730141 [0,2,0,0,0,0|0,0,2]=4 14446 B11R0.40 C=CC(O)COCCOCCC 34a_100000752267_100000730141 [0,2,0,0,0,0|0,0,2]=4 14447 B11R0.40 C=CC(O)COCCOCCC 7a_100000752267_100000730141 [0,2,0,0,0,0|0,0,2]=4 14448 B11R0.40 C=CC(O)COCCSCCC 34a_200000230433_100000730141 [0,2,0,0,0,0|0,0,2]=4 14449 B11R0.40 C=CC(O)COCCSCCC 7a_200000230433_100000730141 [0,2,0,0,0,0|0,0,2]=4 14450 B11R0.40 C=CC(O)CSCOCCCC 62a_100000730141_100011995733 [0,2,0,0,0,0|0,0,2]=4 14451 B11R0.40 C=CC(O)CSCOCCCC 62a_100011995733_100000730141 [0,2,0,0,0,0|0,0,2]=4 14452 B11R0.40 C=CCCCCNCC(C)CC 2230a_100000703577_100000748023 [0,2,0,0,0,0|1,0,1]=4 14453 B11R0.40 C=CCCCCNCC(C)CC 2230a_100020588543_100011215482 [0,2,0,0,0,0|1,0,1]=4 14454 B11R0.40 C=CCCCCNCC(C)CC 270004a_100000703577_100000243153 [0,2,0,0,0,0|1,0,1]=4 14455 B11R0.40 C=CCCCCNCC(C)CC 34a_100000703577_100000748023 [0,2,0,0,0,0|1,0,1]=4 14456 B11R0.40 C=CCCCCNCC(O)CC 2230a_100000703577_100011218378 [0,2,0,0,0,0|1,0,1]=4 14457 B11R0.40 C=CCCCCNCC(O)CC 2230a_100011218483_100011215482 [0,2,0,0,0,0|1,0,1]=4 14458 B11R0.40 C=CCCCCNCC(O)CC 34a_100000703577_100011218378 [0,2,0,0,0,0|1,0,1]=4 14459 B11R0.40 C=CCCCCNC[C@@H](C)CC 2230a_100000703577_100009816398 [0,2,0,0,0,0|1,0,1]=4 14460 B11R0.40 C=CCCCCNC[C@@H](C)CC 34a_100000703577_100009816398 [0,2,0,0,0,0|1,0,1]=4 14461 B11R0.40 C=CCCCCOCC(=O)CC 34a_100000725409_100011215482 [0,2,0,0,0,0|0,0,2]=4 14462 B11R0.40 C=CCCCCOCC(=O)CC 7a_100000766645_100000747405 [0,2,0,0,0,0|0,0,2]=4 14463 B11R0.40 C=CCCCCOCC(C)CC 34a_100000766645_100000748023 [0,2,0,0,0,0|0,0,1]=3 14464 B11R0.40 C=CCCCCOCC(C)CC 7a_100000766645_100000748023 [0,2,0,0,0,0|0,0,1]=3 14465 B11R0.40 C=CCCCCOCC(C)CN 34a_100000744482_100011215482 [0,2,0,0,0,0|1,0,1]=4 14466 B11R0.40 C=CCCCCOCC(C)OC 34a_100000690652_100011215482 [0,2,0,0,0,0|1,0,1]=4 14467 B11R0.40 C=CCCCCOCC(Cl)CCl 34a_100000033668_100011215482 [0,2,0,0,0,0|1,0,1]=4 14468 B11R0.40 C=CCCCCOCC(O)CC 34a_100000766645_100011218378 [0,2,0,0,0,0|0,0,1]=3 14469 B11R0.40 C=CCCCCOCC(O)CC 7a_100000766645_100011218378 [0,2,0,0,0,0|0,0,1]=3 14470 B11R0.40 C=CCCCCOCC(O)CO 34a_100000766645_100011219619 [0,2,0,0,0,0|1,0,1]=4 14471 B11R0.40 C=CCCCCOCC(O)CO 7a_100000766645_100011219619 [0,2,0,0,0,0|1,0,1]=4 14472 B11R0.40 C=CCCCCOC[C@@H](C)CC 34a_100000766645_100009816398 [0,2,0,0,0,0|0,0,1]=3 14473 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100000766645_100009816398 [0,2,0,0,0,0|0,0,1]=3 14474 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100009816381_100011215482 [0,2,0,0,0,0|0,0,1]=3 14475 B11R0.40 C=CCCCCOC[C@@H](C)CO 34a_100000766645_100000059175 [0,2,0,0,0,0|1,0,1]=4 14476 B11R0.40 C=CCCCCOC[C@@H](C)CO 7a_100000766645_100000059175 [0,2,0,0,0,0|1,0,1]=4 14477 B11R0.40 C=CCCCCOC[C@@H](O)CF 34a_100000766645_100015614560 [0,2,0,0,0,0|1,0,1]=4 14478 B11R0.40 C=CCCCCOC[C@@H](O)CF 7a_100000766645_100015614560 [0,2,0,0,0,0|1,0,1]=4 14479 B11R0.40 C=CCCCCOC[C@@H](O)CO 34a_100000766645_100009815848 [0,2,0,0,0,0|1,0,1]=4 14480 B11R0.40 C=CCCCCOC[C@@H](O)CO 7a_100000766645_100009815848 [0,2,0,0,0,0|1,0,1]=4 14481 B11R0.40 C=CCCCCOC[C@H](F)CN 34a_100015665980_100011215482 [0,2,0,0,0,0|1,0,1]=4 14482 B11R0.40 C=CCCCCSCC(C)CC 62a_100000748023_100011215482 [0,2,0,0,0,0|0,1,1]=4 14483 B11R0.40 C=CCCCCSCC(C)CC 62a_100011215482_100000748023 [0,2,0,0,0,0|0,1,1]=4 14484 B11R0.40 C=CCCCCSCC(O)CC 62a_100011215482_100011218378 [0,2,0,0,0,0|0,1,1]=4 14485 B11R0.40 C=CCCCCSCC(O)CC 62a_100011218378_100011215482 [0,2,0,0,0,0|0,1,1]=4 14486 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100009816398_100011215482 [0,2,0,0,0,0|0,1,1]=4 14487 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100011215482_100009816398 [0,2,0,0,0,0|0,1,1]=4 14488 B11R0.40 C=CCCCNCCC(C)CC 2230a_100020591266_100011713584 [0,2,0,0,0,0|1,0,1]=4 14489 B11R0.40 C=CCCCOCCC(C)CC 7a_100011215188_100000757094 [0,2,0,0,0,0|0,0,1]=3 14490 B11R0.40 C=CCCCOCCC(C)OC 7a_100000764861_100000757094 [0,2,0,0,0,0|0,0,2]=4 14491 B11R0.40 C=CCCOCCCC(C)CC 7a_100011216074_100000754431 [0,2,0,0,0,0|0,0,2]=4 14492 B11R0.40 C=CCCOCCC[C@@H](C)CN 34a_100160569302_100000754431 [0,2,0,0,0,0|0,0,2]=4 14493 B11R0.40 C=CCOCCOCC(C)CC 34a_100000037705_100000748023 [0,2,0,0,0,0|0,0,2]=4 14494 B11R0.40 C=CCOCCOCC(C)CC 7a_100000037705_100000748023 [0,2,0,0,0,0|0,0,2]=4 14495 B11R0.40 C=CCOCCOCC(O)CC 34a_100000037705_100011218378 [0,2,0,0,0,0|0,0,2]=4 14496 B11R0.40 C=CCOCCOCC(O)CC 7a_100000037705_100011218378 [0,2,0,0,0,0|0,0,2]=4 14497 B11R0.40 C=CCOCCOC[C@@H](C)CC 34a_100000037705_100009816398 [0,2,0,0,0,0|0,0,2]=4 14498 B11R0.40 C=CCOCCOC[C@@H](C)CC 7a_100000037705_100009816398 [0,2,0,0,0,0|0,0,2]=4 14499 B11R0.40 C=COCCOCCC(C)CC 7a_100011215188_100000039644 [0,2,0,0,0,0|0,0,2]=4 14500 B11R0.40 C=C[C@H](N)COCCCCCC 34a_100016989147_100000210314 [0,2,0,0,0,0|0,0,2]=4 14501 B11R0.40 C=C[C@H](N)COCCCCCF 34a_100016989147_100000729378 [0,2,0,0,0,0|0,0,2]=4 14502 B11R0.40 C=C[C@H](N)COCCCCCO 34a_100016989147_100000746330 [0,2,0,0,0,0|0,0,2]=4 14503 B11R0.40 C=C[C@H](N)COCCCCOC 34a_100016989147_100000755781 [0,2,0,0,0,0|0,0,2]=4 14504 B11R0.40 C=C[C@H](N)COCCCOCC 34a_100016989147_100012232248 [0,2,0,0,0,0|0,0,2]=4 14505 B11R0.40 C=C[C@H](N)COCCOCCC 34a_100016989147_100011215938 [0,2,0,0,0,0|0,0,2]=4 14506 B11R0.40 C=C[C@H](N)COCOCCCC 34a_100016989147_100011995733 [0,2,0,0,0,0|0,0,2]=4 14507 B11R0.40 CC#CCOCCCC(C)CC 7a_100011216074_100000748600 [0,2,0,0,0,0|0,0,2]=4 14508 B11R0.40 CC#CCOCCC[C@@H](C)CN 34a_100160569302_100000748600 [0,2,0,0,0,0|0,0,2]=4 14509 B11R0.40 CC(CN)COCCCCCF 34a_100000744482_100000729378 [0,2,0,0,0,0|1,0,0]=3 14510 B11R0.40 CC(CN)COCCCCCO 34a_100000744482_100000746330 [0,2,0,0,0,0|1,0,0]=3 14511 B11R0.40 CC(CN)COCCOCCO 34a_100000744482_100000692535 [0,2,0,0,0,0|2,0,0]=4 14512 B11R0.40 CC(CO)CCNCCCCF 2230a_106354213184_100000729493 [0,2,0,0,0,0|2,0,0]=4 14513 B11R0.40 CC(CO)CCNCCCCF 34a_106354213184_100000729493 [0,2,0,0,0,0|2,0,0]=4 14514 B11R0.40 CC(CO)CCNCCCCO 2230a_106354213184_100000210776 [0,2,0,0,0,0|2,0,0]=4 14515 B11R0.40 CC(CO)CCNCCCCO 34a_106354213184_100011216708 [0,2,0,0,0,0|2,0,0]=4 14516 B11R0.40 CC(CO)CNCCCCCF 34a_100000744482_100000729378 [0,2,0,0,0,0|2,0,0]=4 14517 B11R0.40 CC(CO)CNCCCCCO 34a_100000744482_100000746330 [0,2,0,0,0,0|2,0,0]=4 14518 B11R0.40 CC/C=C\CCNCC(C)CC 2230a_100020588543_100015370543 [0,2,0,0,0,0|1,0,1]=4 14519 B11R0.40 CC/C=C\CCNCC(O)CC 2230a_100011218483_100015370543 [0,2,0,0,0,0|1,0,1]=4 14520 B11R0.40 CC/C=C\CCOCC(=O)CC 34a_100000725409_100015370543 [0,2,0,0,0,0|0,0,2]=4 14521 B11R0.40 CC/C=C\CCOCC(=O)CC 7a_100016288707_100000747405 [0,2,0,0,0,0|0,0,2]=4 14522 B11R0.40 CC/C=C\CCOCC(C)CC 34a_100016288707_100000748023 [0,2,0,0,0,0|0,0,1]=3 14523 B11R0.40 CC/C=C\CCOCC(C)CC 7a_100016288707_100000748023 [0,2,0,0,0,0|0,0,1]=3 14524 B11R0.40 CC/C=C\CCOCC(C)CN 34a_100000744482_100015370543 [0,2,0,0,0,0|1,0,1]=4 14525 B11R0.40 CC/C=C\CCOCC(C)OC 34a_100000690652_100015370543 [0,2,0,0,0,0|1,0,1]=4 14526 B11R0.40 CC/C=C\CCOCC(Cl)CCl 34a_100000033668_100015370543 [0,2,0,0,0,0|1,0,1]=4 14527 B11R0.40 CC/C=C\CCOCC(O)CC 34a_100016288707_100011218378 [0,2,0,0,0,0|0,0,1]=3 14528 B11R0.40 CC/C=C\CCOCC(O)CC 7a_100016288707_100011218378 [0,2,0,0,0,0|0,0,1]=3 14529 B11R0.40 CC/C=C\CCOCC(O)CO 34a_100016288707_100011219619 [0,2,0,0,0,0|1,0,1]=4 14530 B11R0.40 CC/C=C\CCOCC(O)CO 7a_100016288707_100011219619 [0,2,0,0,0,0|1,0,1]=4 14531 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 34a_100016288707_100009816398 [0,2,0,0,0,0|0,0,1]=3 14532 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 7a_100009816381_100015370543 [0,2,0,0,0,0|0,0,1]=3 14533 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 7a_100016288707_100009816398 [0,2,0,0,0,0|0,0,1]=3 14534 B11R0.40 CC/C=C\CCOC[C@@H](C)CO 34a_100016288707_100000059175 [0,2,0,0,0,0|1,0,1]=4 14535 B11R0.40 CC/C=C\CCOC[C@@H](C)CO 7a_100016288707_100000059175 [0,2,0,0,0,0|1,0,1]=4 14536 B11R0.40 CC/C=C\CCOC[C@@H](O)CF 34a_100016288707_100015614560 [0,2,0,0,0,0|1,0,1]=4 14537 B11R0.40 CC/C=C\CCOC[C@@H](O)CF 7a_100016288707_100015614560 [0,2,0,0,0,0|1,0,1]=4 14538 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 34a_100016288707_100009815848 [0,2,0,0,0,0|1,0,1]=4 14539 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 7a_100016288707_100009815848 [0,2,0,0,0,0|1,0,1]=4 14540 B11R0.40 CC/C=C\CCOC[C@H](F)CN 34a_100015665980_100015370543 [0,2,0,0,0,0|1,0,1]=4 14541 B11R0.40 CC/C=C\CCSCC(C)CC 62a_100000748023_100015370543 [0,2,0,0,0,0|0,1,1]=4 14542 B11R0.40 CC/C=C\CCSCC(C)CC 62a_100015370543_100000748023 [0,2,0,0,0,0|0,1,1]=4 14543 B11R0.40 CC/C=C\CCSCC(O)CC 62a_100011218378_100015370543 [0,2,0,0,0,0|0,1,1]=4 14544 B11R0.40 CC/C=C\CCSCC(O)CC 62a_100015370543_100011218378 [0,2,0,0,0,0|0,1,1]=4 14545 B11R0.40 CC/C=C\CCSC[C@@H](C)CC 62a_100009816398_100015370543 [0,2,0,0,0,0|0,1,1]=4 14546 B11R0.40 CC/C=C\CCSC[C@@H](C)CC 62a_100015370543_100009816398 [0,2,0,0,0,0|0,1,1]=4 14547 B11R0.40 CC/C=C\CNCCC(C)CC 2230a_100020591266_100103147603 [0,2,0,0,0,0|1,0,1]=4 14548 B11R0.40 CC/C=C\COCCC(C)CC 7a_100011215188_100103147603 [0,2,0,0,0,0|0,0,1]=3 14549 B11R0.40 CC/C=C\COCCC(C)OC 7a_100000764861_100103147603 [0,2,0,0,0,0|0,0,2]=4 14550 B11R0.40 CC=C=CCCOCC(C)CC 34a_100011020354_100000748023 [0,2,0,0,0,0|0,0,2]=4 14551 B11R0.40 CC=C=CCCOCC(O)CC 34a_100011020354_100011218378 [0,2,0,0,0,0|0,0,2]=4 14552 B11R0.40 CC=C=CCCOC[C@@H](C)CC 34a_100011020354_100009816398 [0,2,0,0,0,0|0,0,2]=4 14553 B11R0.40 CC=CCCCOCC(C)CC 34a_100020645299_100000748023 [0,2,0,0,0,0|0,0,1]=3 14554 B11R0.40 CC=CCCCOCC(O)CC 34a_100020645299_100011218378 [0,2,0,0,0,0|0,0,1]=3 14555 B11R0.40 CC=CCCCOCC(O)CO 34a_100020645299_100011219619 [0,2,0,0,0,0|1,0,1]=4 14556 B11R0.40 CC=CCCCOC[C@@H](C)CC 34a_100020645299_100009816398 [0,2,0,0,0,0|0,0,1]=3 14557 B11R0.40 CC=CCCCOC[C@@H](C)CO 34a_100020645299_100000059175 [0,2,0,0,0,0|1,0,1]=4 14558 B11R0.40 CC=CCCCOC[C@@H](O)CF 34a_100020645299_100015614560 [0,2,0,0,0,0|1,0,1]=4 14559 B11R0.40 CC=CCCCOC[C@@H](O)CO 34a_100020645299_100009815848 [0,2,0,0,0,0|1,0,1]=4 14560 B11R0.40 CC=CCOCCCC(C)CC 7a_100011216074_100000070051 [0,2,0,0,0,0|0,0,2]=4 14561 B11R0.40 CC=CCOCCC[C@@H](C)CN 34a_100160569302_100000070051 [0,2,0,0,0,0|0,0,2]=4 14562 B11R0.40 CCC#CCCOCC(=O)CC 7a_100000036655_100000747405 [0,2,0,0,0,0|0,0,2]=4 14563 B11R0.40 CCC#CCCOCC(C)CC 34a_100000036655_100000748023 [0,2,0,0,0,0|0,0,1]=3 14564 B11R0.40 CCC#CCCOCC(C)CC 7a_100000036655_100000748023 [0,2,0,0,0,0|0,0,1]=3 14565 B11R0.40 CCC#CCCOCC(O)CC 34a_100000036655_100011218378 [0,2,0,0,0,0|0,0,1]=3 14566 B11R0.40 CCC#CCCOCC(O)CC 7a_100000036655_100011218378 [0,2,0,0,0,0|0,0,1]=3 14567 B11R0.40 CCC#CCCOCC(O)CO 34a_100000036655_100011219619 [0,2,0,0,0,0|1,0,1]=4 14568 B11R0.40 CCC#CCCOCC(O)CO 7a_100000036655_100011219619 [0,2,0,0,0,0|1,0,1]=4 14569 B11R0.40 CCC#CCCOC[C@@H](C)CC 34a_100000036655_100009816398 [0,2,0,0,0,0|0,0,1]=3 14570 B11R0.40 CCC#CCCOC[C@@H](C)CC 7a_100000036655_100009816398 [0,2,0,0,0,0|0,0,1]=3 14571 B11R0.40 CCC#CCCOC[C@@H](C)CO 34a_100000036655_100000059175 [0,2,0,0,0,0|1,0,1]=4 14572 B11R0.40 CCC#CCCOC[C@@H](C)CO 7a_100000036655_100000059175 [0,2,0,0,0,0|1,0,1]=4 14573 B11R0.40 CCC#CCCOC[C@@H](O)CF 34a_100000036655_100015614560 [0,2,0,0,0,0|1,0,1]=4 14574 B11R0.40 CCC#CCCOC[C@@H](O)CF 7a_100000036655_100015614560 [0,2,0,0,0,0|1,0,1]=4 14575 B11R0.40 CCC#CCCOC[C@@H](O)CO 34a_100000036655_100009815848 [0,2,0,0,0,0|1,0,1]=4 14576 B11R0.40 CCC#CCCOC[C@@H](O)CO 7a_100000036655_100009815848 [0,2,0,0,0,0|1,0,1]=4 14577 B11R0.40 CCC#CCNCCC(C)CC 2230a_100020591266_100009813939 [0,2,0,0,0,0|1,0,1]=4 14578 B11R0.40 CCC#CCOCCC(C)CC 7a_100011215188_100009813939 [0,2,0,0,0,0|0,0,1]=3 14579 B11R0.40 CCC#CCOCCC(C)OC 7a_100000764861_100009813939 [0,2,0,0,0,0|0,0,2]=4 14580 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,2,0,0,0,0|1,0,1]=4 14581 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,2,0,0,0,0|1,0,1]=4 14582 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,2,0,0,0,0|1,0,1]=4 14583 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [0,2,0,0,0,0|1,0,0]=3 14584 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [0,2,0,0,0,0|0,0,1]=3 14585 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [0,2,0,0,0,0|0,0,1]=3 14586 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [0,2,0,0,0,0|0,0,1]=3 14587 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [0,2,0,0,0,0|0,0,1]=3 14588 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,2,0,0,0,0|0,0,1]=3 14589 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [0,2,0,0,0,0|0,0,1]=3 14590 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [0,2,0,0,0,0|0,0,1]=3 14591 B11R0.40 CCC(=O)COCCOCCBr 7a_100000692535_100000747405 [0,2,0,0,0,0|1,0,1]=4 14592 B11R0.40 CCC(=O)COCCOCCCl 7a_100011215305_100000747405 [0,2,0,0,0,0|1,0,1]=4 14593 B11R0.40 CCC(=O)COCCOCCF 7a_200015357709_100000747405 [0,2,0,0,0,0|1,0,1]=4 14594 B11R0.40 CCC(=O)COCCOCCI 7a_100012149058_100000747405 [0,2,0,0,0,0|1,0,1]=4 14595 B11R0.40 CCC(=O)COCCOCCO 1458a_106645077154_100000210202 [0,2,0,0,0,0|1,0,1]=4 14596 B11R0.40 CCC(=O)COCCOCCO 34a_100000725409_100000692535 [0,2,0,0,0,0|1,0,1]=4 14597 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [0,2,0,0,0,0|0,1,1]=4 14598 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [0,2,0,0,0,0|0,1,1]=4 14599 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [0,2,0,0,0,0|0,1,1]=4 14600 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [0,2,0,0,0,0|0,1,1]=4 14601 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [0,2,0,0,0,0|0,1,1]=4 14602 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [0,2,0,0,0,0|0,1,1]=4 14603 B11R0.40 CCC(=O)CSCOCCOC 62a_100000231047_100000747405 [0,2,0,0,0,0|1,0,1]=4 14604 B11R0.40 CCC(=O)CSCOCCOC 62a_100000747405_100000231047 [0,2,0,0,0,0|1,0,1]=4 14605 B11R0.40 CCC(=O)NCCOCCCF 34a_200000158885_100011934791 [0,2,0,0,0,0|1,0,1]=4 14606 B11R0.40 CCC(=O)NCCOCCCF 7a_200000158885_100011934791 [0,2,0,0,0,0|1,0,1]=4 14607 B11R0.40 CCC(=O)NCCOCCCO 34a_200000158885_100000230001 [0,2,0,0,0,0|1,0,1]=4 14608 B11R0.40 CCC(=O)NCCOCCCO 7a_200000158885_100011215043 [0,2,0,0,0,0|1,0,1]=4 14609 B11R0.40 CCC(=O)NCCOCCOC 11a_100000745349_100000210414 [0,2,0,0,0,0|1,0,1]=4 14610 B11R0.40 CCC(=O)NCCOCCOC 1626a_100000745349_100000210414 [0,2,0,0,0,0|1,0,1]=4 14611 B11R0.40 CCC(=O)NCCOCCOC 240690a_100000745349_100000210414 [0,2,0,0,0,0|1,0,1]=4 14612 B11R0.40 CCC(=O)NCCOCCOC 34a_200000158885_100011201679 [0,2,0,0,0,0|1,0,1]=4 14613 B11R0.40 CCC(=O)NCCOCCOC 527a_100000745349_100000210414 [0,2,0,0,0,0|1,0,1]=4 14614 B11R0.40 CCC(=O)NCCOCCOC 7a_200000158885_100000233755 [0,2,0,0,0,0|1,0,1]=4 14615 B11R0.40 CCC(=O)NCCOCCSC 34a_200000158885_100000212216 [0,2,0,0,0,0|1,0,1]=4 14616 B11R0.40 CCC(=O)NCCOCCSC 7a_200000158885_100000212216 [0,2,0,0,0,0|1,0,1]=4 14617 B11R0.40 CCC(=O)OCCOCCCF 7a_200000031056_100011934791 [0,2,0,0,0,0|1,0,1]=4 14618 B11R0.40 CCC(=O)OCCOCCCO 7a_200000031056_100011215043 [0,2,0,0,0,0|1,0,1]=4 14619 B11R0.40 CCC(=O)OCCOCCOC 7a_200000031056_100000233755 [0,2,0,0,0,0|1,0,1]=4 14620 B11R0.40 CCC(=O)OCCOCCSC 7a_200000031056_100000212216 [0,2,0,0,0,0|1,0,1]=4 14621 B11R0.40 CCC(C)CCCCCOCF 7a_200000035636_100015361967 [0,2,0,0,0,0|2,0,0]=4 14622 B11R0.40 CCC(C)CCCOCCC#N 7a_100011216074_100000184422 [0,2,0,0,0,0|1,0,1]=4 14623 B11R0.40 CCC(C)CCCOCCCF 7a_100011216074_100011934791 [0,2,0,0,0,0|1,0,0]=3 14624 B11R0.40 CCC(C)CCCOCCCO 7a_100011216074_100011215043 [0,2,0,0,0,0|1,0,0]=3 14625 B11R0.40 CCC(C)CCCOCCOC 7a_100011216074_100000233755 [0,2,0,0,0,0|1,0,0]=3 14626 B11R0.40 CCC(C)CCCOCCSC 7a_100011216074_100000212216 [0,2,0,0,0,0|1,0,0]=3 14627 B11R0.40 CCC(C)CCNCCCC#N 2230a_100020591266_100000687738 [0,2,0,0,0,0|1,0,1]=4 14628 B11R0.40 CCC(C)CCNCCCC=O 2230a_100020591266_200011292268 [0,2,0,0,0,0|1,0,1]=4 14629 B11R0.40 CCC(C)CCNCCCCF 2230a_100020591266_100000729493 [0,2,0,0,0,0|1,0,0]=3 14630 B11R0.40 CCC(C)CCNCCCCO 2230a_100020591266_100000210776 [0,2,0,0,0,0|1,0,0]=3 14631 B11R0.40 CCC(C)CCNCCCOC 2230a_100020591266_100000740836 [0,2,0,0,0,0|1,0,0]=3 14632 B11R0.40 CCC(C)CCOCC#CCO 7a_100011215188_200000047223 [0,2,0,0,0,0|0,0,2]=4 14633 B11R0.40 CCC(C)CCOCCCC#N 7a_100011215188_100000687738 [0,2,0,0,0,0|0,0,1]=3 14634 B11R0.40 CCC(C)CCOCCCC=O 7a_100011215188_200011292268 [0,2,0,0,0,0|0,0,1]=3 14635 B11R0.40 CCC(C)CCOCCCCF 7a_100011215188_100000729493 [0,2,0,0,0,0|0,0,0]=2 14636 B11R0.40 CCC(C)CCOCCCCO 7a_100011215188_100000210776 [0,2,0,0,0,0|0,0,0]=2 14637 B11R0.40 CCC(C)CCOCCCOC 7a_100011215188_100000740836 [0,2,0,0,0,0|0,0,0]=2 14638 B11R0.40 CCC(C)CNCCCCC#N 2230a_100020588543_100000211819 [0,2,0,0,0,0|1,0,1]=4 14639 B11R0.40 CCC(C)CNCCCCC#N 270004a_100000751965_100000243153 [0,2,0,0,0,0|1,0,1]=4 14640 B11R0.40 CCC(C)CNCCCCC=O 2230a_100020588543_100000139335 [0,2,0,0,0,0|1,0,1]=4 14641 B11R0.40 CCC(C)CNCCCCCF 2230a_100020588543_100000729378 [0,2,0,0,0,0|1,0,0]=3 14642 B11R0.40 CCC(C)CNCCCCCO 2230a_100000762737_100000748023 [0,2,0,0,0,0|1,0,0]=3 14643 B11R0.40 CCC(C)CNCCCCCO 2230a_100020588543_100000746330 [0,2,0,0,0,0|1,0,0]=3 14644 B11R0.40 CCC(C)CNCCCCCO 270004a_100000762737_100000243153 [0,2,0,0,0,0|1,0,0]=3 14645 B11R0.40 CCC(C)CNCCCCCO 34a_100000762737_100000748023 [0,2,0,0,0,0|1,0,0]=3 14646 B11R0.40 CCC(C)CNCCCCOC 2230a_100020588543_100000730899 [0,2,0,0,0,0|1,0,0]=3 14647 B11R0.40 CCC(C)CNCCOCCO 2230a_100000211614_100000748023 [0,2,0,0,0,0|2,0,0]=4 14648 B11R0.40 CCC(C)CNCCOCCO 2230a_100020588543_100011215305 [0,2,0,0,0,0|2,0,0]=4 14649 B11R0.40 CCC(C)CNCCOCCO 270004a_100000211614_100000243153 [0,2,0,0,0,0|2,0,0]=4 14650 B11R0.40 CCC(C)CNCCOCCO 34a_100000211614_100000748023 [0,2,0,0,0,0|2,0,0]=4 14651 B11R0.40 CCC(C)CNCCSCCO 2230a_100011219999_100000748023 [0,2,0,0,0,0|2,0,0]=4 14652 B11R0.40 CCC(C)CNCCSCCO 270004a_100011219999_100000243153 [0,2,0,0,0,0|2,0,0]=4 14653 B11R0.40 CCC(C)CNCOCCOC 2230a_100020588543_100000231047 [0,2,0,0,0,0|1,0,0]=3 14654 B11R0.40 CCC(C)COCCCCCBr 34a_100000746331_100000748023 [0,2,0,0,0,0|0,0,0]=2 14655 B11R0.40 CCC(C)COCCCCCBr 7a_100000746331_100000748023 [0,2,0,0,0,0|0,0,0]=2 14656 B11R0.40 CCC(C)COCCCCCCl 34a_100000746330_100000748023 [0,2,0,0,0,0|0,0,0]=2 14657 B11R0.40 CCC(C)COCCCCCCl 7a_100000746330_100000748023 [0,2,0,0,0,0|0,0,0]=2 14658 B11R0.40 CCC(C)COCCCCCI 34a_200012148887_100000748023 [0,2,0,0,0,0|0,0,0]=2 14659 B11R0.40 CCC(C)COCCCCCI 7a_200012148887_100000748023 [0,2,0,0,0,0|0,0,0]=2 14660 B11R0.40 CCC(C)COCCCCCN 34a_100000762737_100000748023 [0,2,0,0,0,0|0,0,0]=2 14661 B11R0.40 CCC(C)COCCCCOC 34a_100000740925_100000748023 [0,2,0,0,0,0|0,0,0]=2 14662 B11R0.40 CCC(C)COCCCCSC 34a_100011217163_100000748023 [0,2,0,0,0,0|0,0,0]=2 14663 B11R0.40 CCC(C)COCCCCSC 7a_100011217163_100000748023 [0,2,0,0,0,0|0,0,0]=2 14664 B11R0.40 CCC(C)COCCOCCBr 34a_100000692535_100000748023 [0,2,0,0,0,0|1,0,0]=3 14665 B11R0.40 CCC(C)COCCOCCBr 7a_100000692535_100000748023 [0,2,0,0,0,0|1,0,0]=3 14666 B11R0.40 CCC(C)COCCOCCCl 34a_100011215305_100000748023 [0,2,0,0,0,0|1,0,0]=3 14667 B11R0.40 CCC(C)COCCOCCCl 7a_100011215305_100000748023 [0,2,0,0,0,0|1,0,0]=3 14668 B11R0.40 CCC(C)COCCOCCF 34a_200015357709_100000748023 [0,2,0,0,0,0|1,0,0]=3 14669 B11R0.40 CCC(C)COCCOCCF 7a_200015357709_100000748023 [0,2,0,0,0,0|1,0,0]=3 14670 B11R0.40 CCC(C)COCCOCCI 34a_100012149058_100000748023 [0,2,0,0,0,0|1,0,0]=3 14671 B11R0.40 CCC(C)COCCOCCI 7a_100012149058_100000748023 [0,2,0,0,0,0|1,0,0]=3 14672 B11R0.40 CCC(C)COCCOCCN 34a_100000211614_100000748023 [0,2,0,0,0,0|1,0,0]=3 14673 B11R0.40 CCC(C)CSCCCCC#N 62a_100000748023_100000211819 [0,2,0,0,0,0|0,1,1]=4 14674 B11R0.40 CCC(C)CSCCCCC#N 62a_100011219923_100000748023 [0,2,0,0,0,0|0,1,1]=4 14675 B11R0.40 CCC(C)CSCCCCC=O 62a_100000139335_100000748023 [0,2,0,0,0,0|0,1,1]=4 14676 B11R0.40 CCC(C)CSCCCCC=O 62a_100000748023_100000139335 [0,2,0,0,0,0|0,1,1]=4 14677 B11R0.40 CCC(C)CSCCCCCF 62a_100000729378_100000748023 [0,2,0,0,0,0|0,1,0]=3 14678 B11R0.40 CCC(C)CSCCCCCF 62a_100000748023_100000729378 [0,2,0,0,0,0|0,1,0]=3 14679 B11R0.40 CCC(C)CSCCCCCO 62a_100000746330_100000748023 [0,2,0,0,0,0|0,1,0]=3 14680 B11R0.40 CCC(C)CSCCCCCO 62a_100000748023_100000746330 [0,2,0,0,0,0|0,1,0]=3 14681 B11R0.40 CCC(C)CSCCCCOC 62a_100000730899_100000748023 [0,2,0,0,0,0|0,1,0]=3 14682 B11R0.40 CCC(C)CSCCCCOC 62a_100000748023_100000730899 [0,2,0,0,0,0|0,1,0]=3 14683 B11R0.40 CCC(C)CSCCOCCO 62a_100000748023_100011215305 [0,2,0,0,0,0|1,1,0]=4 14684 B11R0.40 CCC(C)CSCCOCCO 62a_100011215305_100000748023 [0,2,0,0,0,0|1,1,0]=4 14685 B11R0.40 CCC(C)CSCOCCOC 62a_100000231047_100000748023 [0,2,0,0,0,0|1,0,0]=3 14686 B11R0.40 CCC(C)CSCOCCOC 62a_100000748023_100000231047 [0,2,0,0,0,0|1,0,0]=3 14687 B11R0.40 CCC(C)NCCCCCCF 2230a_100000209981_100015922095 [0,2,0,0,0,0|2,0,0]=4 14688 B11R0.40 CCC(C)NCCCCCCO 2230a_100000209981_100000766143 [0,2,0,0,0,0|2,0,0]=4 14689 B11R0.40 CCC(C)NCCCCCCO 2230a_100000686447_100000758301 [0,2,0,0,0,0|2,0,0]=4 14690 B11R0.40 CCC(C)NCCCCCCO 34a_100000686447_100011215416 [0,2,0,0,0,0|2,0,0]=4 14691 B11R0.40 CCC(C)NCCCCCOC 2230a_100000747528_100000758301 [0,2,0,0,0,0|2,0,0]=4 14692 B11R0.40 CCC(C)NCCCCCOC 34a_100000747528_100011215416 [0,2,0,0,0,0|2,0,0]=4 14693 B11R0.40 CCC(C)NCCOCCOC 2230a_100000209981_100000695917 [0,2,0,0,0,0|1,0,0]=3 14694 B11R0.40 CCC(C)NCCOCCOC 2230a_100000745349_100000758301 [0,2,0,0,0,0|1,0,0]=3 14695 B11R0.40 CCC(C)NCCOCCOC 34a_100000745349_100011215416 [0,2,0,0,0,0|1,0,0]=3 14696 B11R0.40 CCC(C)OCCCCCCBr 34a_100011215345_100011215416 [0,2,0,0,0,0|2,0,0]=4 14697 B11R0.40 CCC(C)OCCCCCCBr 7a_100011215345_100000758301 [0,2,0,0,0,0|2,0,0]=4 14698 B11R0.40 CCC(C)OCCCCCCCl 34a_100000766143_100011215416 [0,2,0,0,0,0|2,0,0]=4 14699 B11R0.40 CCC(C)OCCCCCCCl 7a_100000766143_100000758301 [0,2,0,0,0,0|2,0,0]=4 14700 B11R0.40 CCC(C)OCCCCCCF 34a_100000732779_100011215416 [0,2,0,0,0,0|2,0,0]=4 14701 B11R0.40 CCC(C)OCCCCCCF 7a_100000210228_100015922095 [0,2,0,0,0,0|2,0,0]=4 14702 B11R0.40 CCC(C)OCCCCCCF 7a_100000732779_100000758301 [0,2,0,0,0,0|2,0,0]=4 14703 B11R0.40 CCC(C)OCCCCCCN 34a_100000686447_100011215416 [0,2,0,0,0,0|2,0,0]=4 14704 B11R0.40 CCC(C)OCCCCCCO 7a_100000210228_100000766143 [0,2,0,0,0,0|2,0,0]=4 14705 B11R0.40 CCC(C)OCCCCCNC 34a_100000722520_100011215416 [0,2,0,0,0,0|2,0,0]=4 14706 B11R0.40 CCC(C)OCCOCCNC 34a_100000228057_100011215416 [0,2,0,0,0,0|1,0,0]=3 14707 B11R0.40 CCC(C)OCCOCCOC 34a_100011215163_100011215416 [0,2,0,0,0,0|1,0,0]=3 14708 B11R0.40 CCC(C)OCCOCCOC 7a_100000210228_100000695917 [0,2,0,0,0,0|1,0,0]=3 14709 B11R0.40 CCC(C)OCCOCCOC 7a_100011215163_100000758301 [0,2,0,0,0,0|1,0,0]=3 14710 B11R0.40 CCC(C)SCCCCCCF 62a_100000758301_100015922095 [0,2,0,0,0,0|2,0,0]=4 14711 B11R0.40 CCC(C)SCCCCCCF 62a_100015922095_100000758301 [0,2,0,0,0,0|2,0,0]=4 14712 B11R0.40 CCC(C)SCCCCCCO 62a_100000758301_100000766143 [0,2,0,0,0,0|2,0,0]=4 14713 B11R0.40 CCC(C)SCCCCCCO 62a_100000766143_100000758301 [0,2,0,0,0,0|2,0,0]=4 14714 B11R0.40 CCC(C)SCCOCCOC 62a_100000695917_100000758301 [0,2,0,0,0,0|1,0,0]=3 14715 B11R0.40 CCC(C)SCCOCCOC 62a_100000758301_100000695917 [0,2,0,0,0,0|1,0,0]=3 14716 B11R0.40 CCC(O)CNCCCCC#N 2230a_100011218483_100000211819 [0,2,0,0,0,0|1,0,1]=4 14717 B11R0.40 CCC(O)CNCCCCC=O 2230a_100011218483_100000139335 [0,2,0,0,0,0|1,0,1]=4 14718 B11R0.40 CCC(O)CNCCCCCF 2230a_100011218483_100000729378 [0,2,0,0,0,0|1,0,0]=3 14719 B11R0.40 CCC(O)CNCCCCCO 2230a_100000762737_100011218378 [0,2,0,0,0,0|1,0,0]=3 14720 B11R0.40 CCC(O)CNCCCCCO 2230a_100011218483_100000746330 [0,2,0,0,0,0|1,0,0]=3 14721 B11R0.40 CCC(O)CNCCCCCO 34a_100000762737_100011218378 [0,2,0,0,0,0|1,0,0]=3 14722 B11R0.40 CCC(O)CNCCCCOC 2230a_100011218483_100000730899 [0,2,0,0,0,0|1,0,0]=3 14723 B11R0.40 CCC(O)CNCCOCCO 2230a_100000211614_100011218378 [0,2,0,0,0,0|2,0,0]=4 14724 B11R0.40 CCC(O)CNCCOCCO 2230a_100011218483_100011215305 [0,2,0,0,0,0|2,0,0]=4 14725 B11R0.40 CCC(O)CNCCOCCO 34a_100000211614_100011218378 [0,2,0,0,0,0|2,0,0]=4 14726 B11R0.40 CCC(O)CNCCSCCO 2230a_100011219999_100011218378 [0,2,0,0,0,0|2,0,0]=4 14727 B11R0.40 CCC(O)CNCOCCOC 2230a_100011218483_100000231047 [0,2,0,0,0,0|1,0,0]=3 14728 B11R0.40 CCC(O)COCCCCCBr 34a_100000746331_100011218378 [0,2,0,0,0,0|0,0,0]=2 14729 B11R0.40 CCC(O)COCCCCCBr 7a_100000746331_100011218378 [0,2,0,0,0,0|0,0,0]=2 14730 B11R0.40 CCC(O)COCCCCCCl 34a_100000746330_100011218378 [0,2,0,0,0,0|0,0,0]=2 14731 B11R0.40 CCC(O)COCCCCCCl 7a_100000746330_100011218378 [0,2,0,0,0,0|0,0,0]=2 14732 B11R0.40 CCC(O)COCCCCCI 34a_200012148887_100011218378 [0,2,0,0,0,0|0,0,0]=2 14733 B11R0.40 CCC(O)COCCCCCI 7a_200012148887_100011218378 [0,2,0,0,0,0|0,0,0]=2 14734 B11R0.40 CCC(O)COCCCCCN 34a_100000762737_100011218378 [0,2,0,0,0,0|0,0,0]=2 14735 B11R0.40 CCC(O)COCCCCOC 34a_100000740925_100011218378 [0,2,0,0,0,0|0,0,0]=2 14736 B11R0.40 CCC(O)COCCCCSC 34a_100011217163_100011218378 [0,2,0,0,0,0|0,0,0]=2 14737 B11R0.40 CCC(O)COCCCCSC 7a_100011217163_100011218378 [0,2,0,0,0,0|0,0,0]=2 14738 B11R0.40 CCC(O)COCCOCCBr 34a_100000692535_100011218378 [0,2,0,0,0,0|1,0,0]=3 14739 B11R0.40 CCC(O)COCCOCCBr 7a_100000692535_100011218378 [0,2,0,0,0,0|1,0,0]=3 14740 B11R0.40 CCC(O)COCCOCCCl 34a_100011215305_100011218378 [0,2,0,0,0,0|1,0,0]=3 14741 B11R0.40 CCC(O)COCCOCCCl 7a_100011215305_100011218378 [0,2,0,0,0,0|1,0,0]=3 14742 B11R0.40 CCC(O)COCCOCCF 34a_200015357709_100011218378 [0,2,0,0,0,0|1,0,0]=3 14743 B11R0.40 CCC(O)COCCOCCF 7a_200015357709_100011218378 [0,2,0,0,0,0|1,0,0]=3 14744 B11R0.40 CCC(O)COCCOCCI 34a_100012149058_100011218378 [0,2,0,0,0,0|1,0,0]=3 14745 B11R0.40 CCC(O)COCCOCCI 7a_100012149058_100011218378 [0,2,0,0,0,0|1,0,0]=3 14746 B11R0.40 CCC(O)COCCOCCN 34a_100000211614_100011218378 [0,2,0,0,0,0|1,0,0]=3 14747 B11R0.40 CCC(O)CSCCCCC#N 62a_100011218378_100000211819 [0,2,0,0,0,0|0,1,1]=4 14748 B11R0.40 CCC(O)CSCCCCC#N 62a_100011219923_100011218378 [0,2,0,0,0,0|0,1,1]=4 14749 B11R0.40 CCC(O)CSCCCCC=O 62a_100000139335_100011218378 [0,2,0,0,0,0|0,1,1]=4 14750 B11R0.40 CCC(O)CSCCCCC=O 62a_100011218378_100000139335 [0,2,0,0,0,0|0,1,1]=4 14751 B11R0.40 CCC(O)CSCCCCCF 62a_100000729378_100011218378 [0,2,0,0,0,0|0,1,0]=3 14752 B11R0.40 CCC(O)CSCCCCCF 62a_100011218378_100000729378 [0,2,0,0,0,0|0,1,0]=3 14753 B11R0.40 CCC(O)CSCCCCCO 62a_100000746330_100011218378 [0,2,0,0,0,0|0,1,0]=3 14754 B11R0.40 CCC(O)CSCCCCCO 62a_100011218378_100000746330 [0,2,0,0,0,0|0,1,0]=3 14755 B11R0.40 CCC(O)CSCCCCOC 62a_100000730899_100011218378 [0,2,0,0,0,0|0,1,0]=3 14756 B11R0.40 CCC(O)CSCCCCOC 62a_100011218378_100000730899 [0,2,0,0,0,0|0,1,0]=3 14757 B11R0.40 CCC(O)CSCCOCCO 62a_100011215305_100011218378 [0,2,0,0,0,0|1,1,0]=4 14758 B11R0.40 CCC(O)CSCCOCCO 62a_100011218378_100011215305 [0,2,0,0,0,0|1,1,0]=4 14759 B11R0.40 CCC(O)CSCOCCOC 62a_100000231047_100011218378 [0,2,0,0,0,0|1,0,0]=3 14760 B11R0.40 CCC(O)CSCOCCOC 62a_100011218378_100000231047 [0,2,0,0,0,0|1,0,0]=3 14761 B11R0.40 CCC/C=C/COCC(=O)CC 7a_100016278788_100000747405 [0,2,0,0,0,0|0,0,2]=4 14762 B11R0.40 CCC/C=C/COCC(C)CC 34a_100016278788_100000748023 [0,2,0,0,0,0|0,0,1]=3 14763 B11R0.40 CCC/C=C/COCC(C)CC 7a_100016278788_100000748023 [0,2,0,0,0,0|0,0,1]=3 14764 B11R0.40 CCC/C=C/COCC(O)CC 34a_100016278788_100011218378 [0,2,0,0,0,0|0,0,1]=3 14765 B11R0.40 CCC/C=C/COCC(O)CC 7a_100016278788_100011218378 [0,2,0,0,0,0|0,0,1]=3 14766 B11R0.40 CCC/C=C/COCC(O)CO 34a_100016278788_100011219619 [0,2,0,0,0,0|1,0,1]=4 14767 B11R0.40 CCC/C=C/COCC(O)CO 7a_100016278788_100011219619 [0,2,0,0,0,0|1,0,1]=4 14768 B11R0.40 CCC/C=C/COC[C@@H](C)CC 34a_100016278788_100009816398 [0,2,0,0,0,0|0,0,1]=3 14769 B11R0.40 CCC/C=C/COC[C@@H](C)CC 7a_100016278788_100009816398 [0,2,0,0,0,0|0,0,1]=3 14770 B11R0.40 CCC/C=C/COC[C@@H](C)CO 34a_100016278788_100000059175 [0,2,0,0,0,0|1,0,1]=4 14771 B11R0.40 CCC/C=C/COC[C@@H](C)CO 7a_100016278788_100000059175 [0,2,0,0,0,0|1,0,1]=4 14772 B11R0.40 CCC/C=C/COC[C@@H](O)CF 34a_100016278788_100015614560 [0,2,0,0,0,0|1,0,1]=4 14773 B11R0.40 CCC/C=C/COC[C@@H](O)CF 7a_100016278788_100015614560 [0,2,0,0,0,0|1,0,1]=4 14774 B11R0.40 CCC/C=C/COC[C@@H](O)CO 34a_100016278788_100009815848 [0,2,0,0,0,0|1,0,1]=4 14775 B11R0.40 CCC/C=C/COC[C@@H](O)CO 7a_100016278788_100009815848 [0,2,0,0,0,0|1,0,1]=4 14776 B11R0.40 CCCC#CCCOC(C)CC 34a_100000042726_100011215416 [0,2,0,0,0,0|1,0,1]=4 14777 B11R0.40 CCCC#CCCOC(C)CC 7a_100000042726_100000758301 [0,2,0,0,0,0|1,0,1]=4 14778 B11R0.40 CCCC#CCOCC(=O)CC 7a_100000034806_100000747405 [0,2,0,0,0,0|0,0,2]=4 14779 B11R0.40 CCCC#CCOCC(C)CC 34a_100000034806_100000748023 [0,2,0,0,0,0|0,0,1]=3 14780 B11R0.40 CCCC#CCOCC(C)CC 7a_100000034806_100000748023 [0,2,0,0,0,0|0,0,1]=3 14781 B11R0.40 CCCC#CCOCC(O)CC 34a_100000034806_100011218378 [0,2,0,0,0,0|0,0,1]=3 14782 B11R0.40 CCCC#CCOCC(O)CC 7a_100000034806_100011218378 [0,2,0,0,0,0|0,0,1]=3 14783 B11R0.40 CCCC#CCOCC(O)CO 34a_100000034806_100011219619 [0,2,0,0,0,0|1,0,1]=4 14784 B11R0.40 CCCC#CCOCC(O)CO 7a_100000034806_100011219619 [0,2,0,0,0,0|1,0,1]=4 14785 B11R0.40 CCCC#CCOC[C@@H](C)CC 34a_100000034806_100009816398 [0,2,0,0,0,0|0,0,1]=3 14786 B11R0.40 CCCC#CCOC[C@@H](C)CC 7a_100000034806_100009816398 [0,2,0,0,0,0|0,0,1]=3 14787 B11R0.40 CCCC#CCOC[C@@H](C)CO 34a_100000034806_100000059175 [0,2,0,0,0,0|1,0,1]=4 14788 B11R0.40 CCCC#CCOC[C@@H](C)CO 7a_100000034806_100000059175 [0,2,0,0,0,0|1,0,1]=4 14789 B11R0.40 CCCC#CCOC[C@@H](O)CF 34a_100000034806_100015614560 [0,2,0,0,0,0|1,0,1]=4 14790 B11R0.40 CCCC#CCOC[C@@H](O)CF 7a_100000034806_100015614560 [0,2,0,0,0,0|1,0,1]=4 14791 B11R0.40 CCCC#CCOC[C@@H](O)CO 34a_100000034806_100009815848 [0,2,0,0,0,0|1,0,1]=4 14792 B11R0.40 CCCC#CCOC[C@@H](O)CO 7a_100000034806_100009815848 [0,2,0,0,0,0|1,0,1]=4 14793 B11R0.40 CCCC/C=C/COC(C)CC 34a_200016272032_100011215416 [0,2,0,0,0,0|1,0,1]=4 14794 B11R0.40 CCCC/C=C/COC(C)CC 7a_200016272032_100000758301 [0,2,0,0,0,0|1,0,1]=4 14795 B11R0.40 CCCCC#CCOC(C)CC 34a_200000034558_100011215416 [0,2,0,0,0,0|1,0,1]=4 14796 B11R0.40 CCCCC#CCOC(C)CC 7a_200000034558_100000758301 [0,2,0,0,0,0|1,0,1]=4 14797 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [0,2,0,0,0,0|1,0,1]=4 14798 B11R0.40 CCCCC=NNCC(O)CC 4a_100015206393_100000210104 [0,2,0,0,0,0|1,0,1]=4 14799 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [0,2,0,0,0,0|1,0,1]=4 14800 B11R0.40 CCCCCC#CCN(C)CC 2230a_100000225621_100009816472 [0,2,0,0,0,0|1,0,1]=4 14801 B11R0.40 CCCCCC#CCN(C)CC 269982a_100000225621_100009816472 [0,2,0,0,0,0|1,0,1]=4 14802 B11R0.40 CCCCCC=NNC(C)CC 4a_100000718999_100000737632 [0,2,0,0,0,0|2,0,0]=4 14803 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,2,0,0,0,0|1,0,0]=3 14804 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,2,0,0,0,0|1,0,0]=3 14805 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,2,0,0,0,0|1,0,1]=4 14806 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,2,0,0,0,0|1,0,1]=4 14807 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,2,0,0,0,0|1,0,1]=4 14808 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,2,0,0,0,0|1,0,1]=4 14809 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,2,0,0,0,0|1,0,1]=4 14810 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,2,0,0,0,0|1,0,1]=4 14811 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [0,2,0,0,0,0|1,0,0]=3 14812 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [0,2,0,0,0,0|1,0,0]=3 14813 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [0,2,0,0,0,0|1,0,0]=3 14814 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [0,2,0,0,0,0|1,0,0]=3 14815 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [0,2,0,0,0,0|1,0,0]=3 14816 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [0,2,0,0,0,0|1,0,0]=3 14817 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [0,2,0,0,0,0|1,0,0]=3 14818 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [0,2,0,0,0,0|1,0,0]=3 14819 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [0,2,0,0,0,0|1,0,0]=3 14820 B11R0.40 CCCCCCCCN(C)CF 269982a_100000207567_100015361967 [0,2,0,0,0,0|2,0,0]=4 14821 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,2,0,0,0,0|1,0,1]=4 14822 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,2,0,0,0,0|1,0,1]=4 14823 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,2,0,0,0,0|1,0,1]=4 14824 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,2,0,0,0,0|1,0,1]=4 14825 B11R0.40 CCCCCCCNC(C)C#N 2230a_100000229938_100000184139 [0,2,0,0,0,0|2,0,0]=4 14826 B11R0.40 CCCCCCCNC(C)C#N 2230a_100000737613_100000210681 [0,2,0,0,0,0|2,0,0]=4 14827 B11R0.40 CCCCCCCNC(C)CC 2230a_100000209981_100000210681 [0,2,0,0,0,0|1,0,0]=3 14828 B11R0.40 CCCCCCCNC(C)CC 2230a_100000229938_100000758301 [0,2,0,0,0,0|1,0,0]=3 14829 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [0,2,0,0,0,0|2,0,0]=4 14830 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [0,2,0,0,0,0|2,0,0]=4 14831 B11R0.40 CCCCCCCOC(C)C#N 34a_100011218135_100000210614 [0,2,0,0,0,0|2,0,0]=4 14832 B11R0.40 CCCCCCCOC(C)C#N 7a_100000210272_100000703298 [0,2,0,0,0,0|2,0,0]=4 14833 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [0,2,0,0,0,0|1,0,0]=3 14834 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [0,2,0,0,0,0|1,0,0]=3 14835 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [0,2,0,0,0,0|1,0,0]=3 14836 B11R0.40 CCCCCCCOC(C)CF 34a_100016041109_100000210614 [0,2,0,0,0,0|2,0,0]=4 14837 B11R0.40 CCCCCCCOC(C)CF 7a_100016041109_100000210614 [0,2,0,0,0,0|2,0,0]=4 14838 B11R0.40 CCCCCCCOC(C)CN 34a_100000210904_100000210614 [0,2,0,0,0,0|2,0,0]=4 14839 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [0,2,0,0,0,0|2,0,0]=4 14840 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [0,2,0,0,0,0|2,0,0]=4 14841 B11R0.40 CCCCCCCSC(C)C#N 62a_100000210614_100000703298 [0,2,0,0,0,0|2,0,0]=4 14842 B11R0.40 CCCCCCCSC(C)C#N 62a_100000703298_100000210316 [0,2,0,0,0,0|2,0,0]=4 14843 B11R0.40 CCCCCCCSC(C)CC 62a_100000210614_100000758301 [0,2,0,0,0,0|1,0,0]=3 14844 B11R0.40 CCCCCCCSC(C)CC 62a_100000758301_100000210316 [0,2,0,0,0,0|1,0,0]=3 14845 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [0,2,0,0,0,0|2,0,0]=4 14846 B11R0.40 CCCCCCCSC(C)OC 62a_100000210614_100009879195 [0,2,0,0,0,0|2,0,0]=4 14847 B11R0.40 CCCCCCCSC(C)OC 62a_100009879195_100000210316 [0,2,0,0,0,0|2,0,0]=4 14848 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [0,2,0,0,0,0|2,0,0]=4 14849 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [0,2,0,0,0,0|2,0,0]=4 14850 B11R0.40 CCCCCCNCC(C)CC 2230a_100000210581_100000748023 [0,2,0,0,0,0|1,0,0]=3 14851 B11R0.40 CCCCCCNCC(C)CC 2230a_100020588543_100000210314 [0,2,0,0,0,0|1,0,0]=3 14852 B11R0.40 CCCCCCNCC(C)CC 270004a_100000210581_100000243153 [0,2,0,0,0,0|1,0,0]=3 14853 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [0,2,0,0,0,0|2,0,0]=4 14854 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [0,2,0,0,0,0|1,0,0]=3 14855 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [0,2,0,0,0,0|1,0,0]=3 14856 B11R0.40 CCCCCCNCC(O)CO 2230a_100000210581_100011219619 [0,2,0,0,0,0|2,0,0]=4 14857 B11R0.40 CCCCCCNC[C@@H](C)CC 2230a_100000210581_100009816398 [0,2,0,0,0,0|1,0,0]=3 14858 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [0,2,0,0,0,0|2,0,0]=4 14859 B11R0.40 CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210314 [0,2,0,0,0,0|2,0,0]=4 14860 B11R0.40 CCCCCCNC[C@@H](F)CO 34a_100015665980_100000210314 [0,2,0,0,0,0|2,0,0]=4 14861 B11R0.40 CCCCCCNC[C@@H](O)CF 2230a_100000210581_100015614560 [0,2,0,0,0,0|2,0,0]=4 14862 B11R0.40 CCCCCCNC[C@@H](O)CO 2230a_100000210581_100009815848 [0,2,0,0,0,0|2,0,0]=4 14863 B11R0.40 CCCCCCNC[C@H](O)CO 2230a_100020644852_100000210314 [0,2,0,0,0,0|2,0,0]=4 14864 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,2,0,0,0,0|0,0,1]=3 14865 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,2,0,0,0,0|0,0,1]=3 14866 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,2,0,0,0,0|1,0,1]=4 14867 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,2,0,0,0,0|1,0,1]=4 14868 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,2,0,0,0,0|1,0,1]=4 14869 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,2,0,0,0,0|1,0,1]=4 14870 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,2,0,0,0,0|1,0,1]=4 14871 B11R0.40 CCCCCCOCC(C)CC 34a_100000210259_100000748023 [0,2,0,0,0,0|0,0,0]=2 14872 B11R0.40 CCCCCCOCC(C)CC 7a_100000210259_100000748023 [0,2,0,0,0,0|0,0,0]=2 14873 B11R0.40 CCCCCCOCC(C)CN 34a_100000744482_100000210314 [0,2,0,0,0,0|1,0,0]=3 14874 B11R0.40 CCCCCCOCC(C)OC 34a_100000690652_100000210314 [0,2,0,0,0,0|1,0,0]=3 14875 B11R0.40 CCCCCCOCC(Cl)CCl 34a_100000033668_100000210314 [0,2,0,0,0,0|1,0,0]=3 14876 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [0,2,0,0,0,0|0,0,0]=2 14877 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [0,2,0,0,0,0|0,0,0]=2 14878 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [0,2,0,0,0,0|1,0,0]=3 14879 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [0,2,0,0,0,0|1,0,0]=3 14880 B11R0.40 CCCCCCOC[C@@H](C)CC 34a_100000210259_100009816398 [0,2,0,0,0,0|0,0,0]=2 14881 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100000210259_100009816398 [0,2,0,0,0,0|0,0,0]=2 14882 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100009816381_100000210314 [0,2,0,0,0,0|0,0,0]=2 14883 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [0,2,0,0,0,0|1,0,0]=3 14884 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [0,2,0,0,0,0|1,0,0]=3 14885 B11R0.40 CCCCCCOC[C@@H](O)CF 34a_100000210259_100015614560 [0,2,0,0,0,0|1,0,0]=3 14886 B11R0.40 CCCCCCOC[C@@H](O)CF 7a_100000210259_100015614560 [0,2,0,0,0,0|1,0,0]=3 14887 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [0,2,0,0,0,0|1,0,0]=3 14888 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [0,2,0,0,0,0|1,0,0]=3 14889 B11R0.40 CCCCCCOC[C@H](F)CN 34a_100015665980_100000210314 [0,2,0,0,0,0|1,0,0]=3 14890 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,2,0,0,0,0|0,1,1]=4 14891 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,2,0,0,0,0|0,1,1]=4 14892 B11R0.40 CCCCCCSCC(C)CC 62a_100000210314_100000748023 [0,2,0,0,0,0|0,1,0]=3 14893 B11R0.40 CCCCCCSCC(C)CC 62a_100000748023_100000210757 [0,2,0,0,0,0|0,1,0]=3 14894 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [0,2,0,0,0,0|0,1,0]=3 14895 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [0,2,0,0,0,0|0,1,0]=3 14896 B11R0.40 CCCCCCSCC(O)CO 62a_100000210314_100011219619 [0,2,0,0,0,0|1,1,0]=4 14897 B11R0.40 CCCCCCSCC(O)CO 62a_100011219619_100000210757 [0,2,0,0,0,0|1,1,0]=4 14898 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100000210314_100009816398 [0,2,0,0,0,0|0,1,0]=3 14899 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100009816398_100000210757 [0,2,0,0,0,0|0,1,0]=3 14900 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [0,2,0,0,0,0|1,1,0]=4 14901 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [0,2,0,0,0,0|1,1,0]=4 14902 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100000210314_100015614560 [0,2,0,0,0,0|1,1,0]=4 14903 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100015614560_100000210757 [0,2,0,0,0,0|1,1,0]=4 14904 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100000210314_100009815848 [0,2,0,0,0,0|1,1,0]=4 14905 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100009815848_100000210757 [0,2,0,0,0,0|1,1,0]=4 14906 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [0,2,0,0,0,0|1,0,1]=4 14907 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [0,2,0,0,0,0|1,0,1]=4 14908 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [0,2,0,0,0,0|1,0,1]=4 14909 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [0,2,0,0,0,0|1,0,1]=4 14910 B11R0.40 CCCCCNCCC(C)CC 2230a_100020591266_100000210326 [0,2,0,0,0,0|1,0,0]=3 14911 B11R0.40 CCCCCNCCC(C)CO 2230a_106354213184_100000210326 [0,2,0,0,0,0|1,0,0]=3 14912 B11R0.40 CCCCCNCCC(C)CO 34a_106354213184_100000718602 [0,2,0,0,0,0|1,0,0]=3 14913 B11R0.40 CCCCCNN=CC(C)CC 4a_100000694160_100000243153 [0,2,0,0,0,0|1,0,1]=4 14914 B11R0.40 CCCCCOCCC(=NO)N 34a_100000749954_100000718602 [0,2,0,0,0,0|1,0,1]=4 14915 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [0,2,0,0,0,0|0,0,1]=3 14916 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [0,2,0,0,0,0|0,0,1]=3 14917 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [0,2,0,0,0,0|0,0,1]=3 14918 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [0,2,0,0,0,0|0,0,1]=3 14919 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [0,2,0,0,0,0|0,0,1]=3 14920 B11R0.40 CCCCCOCCC(C)CC 7a_100011215188_100000210326 [0,2,0,0,0,0|0,0,0]=2 14921 B11R0.40 CCCCCOCCC(C)OC 7a_100000764861_100000210326 [0,2,0,0,0,0|0,0,0]=2 14922 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [0,2,0,0,0,0|0,1,1]=4 14923 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [0,2,0,0,0,0|0,1,1]=4 14924 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [0,2,0,0,0,0|0,1,1]=4 14925 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [0,2,0,0,0,0|0,1,1]=4 14926 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [0,2,0,0,0,0|1,0,1]=4 14927 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [0,2,0,0,0,0|1,0,1]=4 14928 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [0,2,0,0,0,0|1,0,1]=4 14929 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [0,2,0,0,0,0|1,0,1]=4 14930 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [0,2,0,0,0,0|1,0,1]=4 14931 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [0,2,0,0,0,0|1,0,1]=4 14932 B11R0.40 CCCCNCCCN(C)CC 2230a_100000102301_100015186262 [0,2,0,0,0,0|1,0,0]=3 14933 B11R0.40 CCCCNCCCN(C)CC 7a_106832991798_100015186262 [0,2,0,0,0,0|1,0,0]=3 14934 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [0,2,0,0,0,0|1,0,1]=4 14935 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [0,2,0,0,0,0|0,0,1]=3 14936 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [0,2,0,0,0,0|0,0,1]=3 14937 B11R0.40 CCCCOCCCC(=O)NN 34a_100000211488_100000210210 [0,2,0,0,0,0|1,0,1]=4 14938 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,2,0,0,0,0|0,0,1]=3 14939 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,2,0,0,0,0|0,0,1]=3 14940 B11R0.40 CCCCOCCCC(C)CC 7a_100011216074_100000210211 [0,2,0,0,0,0|0,0,0]=2 14941 B11R0.40 CCCCOCCCN(C)CC 7a_100000210227_100015186262 [0,2,0,0,0,0|0,0,0]=2 14942 B11R0.40 CCCCOCCC[C@@H](C)CN 34a_100160569302_100000210210 [0,2,0,0,0,0|0,0,0]=2 14943 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [0,2,0,0,0,0|0,0,1]=3 14944 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [0,2,0,0,0,0|0,0,1]=3 14945 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [0,2,0,0,0,0|1,0,1]=4 14946 B11R0.40 CCCCOCCNC(C)C#N 2230a_100000737613_100000743108 [0,2,0,0,0,0|1,0,0]=3 14947 B11R0.40 CCCCOCCNC(C)CC 2230a_100000209981_100000743108 [0,2,0,0,0,0|0,0,0]=2 14948 B11R0.40 CCCCOCCN[C@H](C)CO 2230a_100000737577_100000743108 [0,2,0,0,0,0|1,0,0]=3 14949 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [0,2,0,0,0,0|0,0,1]=3 14950 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [0,2,0,0,0,0|1,0,1]=4 14951 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [0,2,0,0,0,0|1,0,1]=4 14952 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [0,2,0,0,0,0|1,0,1]=4 14953 B11R0.40 CCCCOCCOC(C)C#N 34a_100011218135_100000743108 [0,2,0,0,0,0|1,0,0]=3 14954 B11R0.40 CCCCOCCOC(C)C#N 7a_100000210238_100000703298 [0,2,0,0,0,0|1,0,0]=3 14955 B11R0.40 CCCCOCCOC(C)CC 34a_100000210238_100011215416 [0,2,0,0,0,0|0,0,0]=2 14956 B11R0.40 CCCCOCCOC(C)CC 7a_100000210228_100000743108 [0,2,0,0,0,0|0,0,0]=2 14957 B11R0.40 CCCCOCCOC(C)CC 7a_100000210238_100000758301 [0,2,0,0,0,0|0,0,0]=2 14958 B11R0.40 CCCCOCCOC(C)CF 34a_100016041109_100000743108 [0,2,0,0,0,0|1,0,0]=3 14959 B11R0.40 CCCCOCCOC(C)CF 7a_100016041109_100000743108 [0,2,0,0,0,0|1,0,0]=3 14960 B11R0.40 CCCCOCCOC(C)CN 34a_100000210904_100000743108 [0,2,0,0,0,0|1,0,0]=3 14961 B11R0.40 CCCCOCCOC(C)CO 34a_100000210238_100012180447 [0,2,0,0,0,0|1,0,0]=3 14962 B11R0.40 CCCCOCCOC(C)CO 7a_100000210238_100012180447 [0,2,0,0,0,0|1,0,0]=3 14963 B11R0.40 CCCCOCCSC(C)C#N 62a_100000703298_100000743108 [0,2,0,0,0,0|1,0,0]=3 14964 B11R0.40 CCCCOCCSC(C)C#N 62a_100000743108_100000703298 [0,2,0,0,0,0|1,0,0]=3 14965 B11R0.40 CCCCOCCSC(C)CC 62a_100000743108_100000758301 [0,2,0,0,0,0|0,0,0]=2 14966 B11R0.40 CCCCOCCSC(C)CC 62a_100000758301_100000743108 [0,2,0,0,0,0|0,0,0]=2 14967 B11R0.40 CCCCOCCSC(C)CO 62a_100012180447_100000743108 [0,2,0,0,0,0|1,0,0]=3 14968 B11R0.40 CCCCOCCSC(C)OC 62a_100000743108_100009879195 [0,2,0,0,0,0|1,0,0]=3 14969 B11R0.40 CCCCOCCSC(C)OC 62a_100009879195_100000743108 [0,2,0,0,0,0|1,0,0]=3 14970 B11R0.40 CCCCOCCSC(F)C#N 62a_100000743108_200000117898 [0,2,0,0,0,0|1,0,1]=4 14971 B11R0.40 CCCCOCCSC(F)C#N 62a_200000117898_100000743108 [0,2,0,0,0,0|1,0,1]=4 14972 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100000743108_100016084084 [0,2,0,0,0,0|1,0,0]=3 14973 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100016084084_100000743108 [0,2,0,0,0,0|1,0,0]=3 14974 B11R0.40 CCCCOCNCC(=O)NC 2230a_100000693194_100011995733 [0,2,0,0,0,0|1,0,1]=4 14975 B11R0.40 CCCCOCNCC(C)CC 2230a_100020588543_100011995733 [0,2,0,0,0,0|0,0,0]=2 14976 B11R0.40 CCCCOCNCC(C)CO 34a_100000744482_100011995733 [0,2,0,0,0,0|1,0,0]=3 14977 B11R0.40 CCCCOCNCC(O)CC 2230a_100011218483_100011995733 [0,2,0,0,0,0|0,0,0]=2 14978 B11R0.40 CCCCOCNC[C@@H](C)OC 2230a_100020591295_100011995733 [0,2,0,0,0,0|1,0,0]=3 14979 B11R0.40 CCCCOCNC[C@@H](F)CO 34a_100015665980_100011995733 [0,2,0,0,0,0|1,0,0]=3 14980 B11R0.40 CCCCOCNC[C@H](O)CO 2230a_100020644852_100011995733 [0,2,0,0,0,0|1,0,0]=3 14981 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [0,2,0,0,0,0|0,0,1]=3 14982 B11R0.40 CCCCOCOCC(=O)NC 34a_100000750040_100011995733 [0,2,0,0,0,0|1,0,1]=4 14983 B11R0.40 CCCCOCOCC(C)CN 34a_100000744482_100011995733 [0,2,0,0,0,0|1,0,0]=3 14984 B11R0.40 CCCCOCOCC(C)OC 34a_100000690652_100011995733 [0,2,0,0,0,0|1,0,0]=3 14985 B11R0.40 CCCCOCOCC(Cl)CCl 34a_100000033668_100011995733 [0,2,0,0,0,0|1,0,0]=3 14986 B11R0.40 CCCCOCOC[C@H](F)CN 34a_100015665980_100011995733 [0,2,0,0,0,0|1,0,0]=3 14987 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [0,2,0,0,0,0|0,0,1]=3 14988 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [0,2,0,0,0,0|0,0,1]=3 14989 B11R0.40 CCCCOCSCC(=O)NC 62a_100000183359_100011995733 [0,2,0,0,0,0|1,0,1]=4 14990 B11R0.40 CCCCOCSCC(=O)NC 62a_100011995733_100000183359 [0,2,0,0,0,0|1,0,1]=4 14991 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [0,2,0,0,0,0|1,0,1]=4 14992 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [0,2,0,0,0,0|1,0,1]=4 14993 B11R0.40 CCCCOCSCC(C)CC 62a_100000748023_100011995733 [0,2,0,0,0,0|0,0,0]=2 14994 B11R0.40 CCCCOCSCC(C)CC 62a_100011995733_100000748023 [0,2,0,0,0,0|0,0,0]=2 14995 B11R0.40 CCCCOCSCC(O)CC 62a_100011218378_100011995733 [0,2,0,0,0,0|0,0,0]=2 14996 B11R0.40 CCCCOCSCC(O)CC 62a_100011995733_100011218378 [0,2,0,0,0,0|0,0,0]=2 14997 B11R0.40 CCCCOCSCC(O)CO 62a_100011219619_100011995733 [0,2,0,0,0,0|1,0,0]=3 14998 B11R0.40 CCCCOCSCC(O)CO 62a_100011995733_100011219619 [0,2,0,0,0,0|1,0,0]=3 14999 B11R0.40 CCCCOCSC[C@@H](C)CC 62a_100009816398_100011995733 [0,2,0,0,0,0|0,0,0]=2 15000 B11R0.40 CCCCOCSC[C@@H](C)CC 62a_100011995733_100009816398 [0,2,0,0,0,0|0,0,0]=2 15001 B11R0.40 CCCCOCSC[C@@H](C)CO 62a_100000059175_100011995733 [0,2,0,0,0,0|1,0,0]=3 15002 B11R0.40 CCCCOCSC[C@@H](C)CO 62a_100011995733_100000059175 [0,2,0,0,0,0|1,0,0]=3 15003 B11R0.40 CCCCOCSC[C@@H](O)CF 62a_100011995733_100015614560 [0,2,0,0,0,0|1,0,0]=3 15004 B11R0.40 CCCCOCSC[C@@H](O)CF 62a_100015614560_100011995733 [0,2,0,0,0,0|1,0,0]=3 15005 B11R0.40 CCCCOCSC[C@@H](O)CO 62a_100009815848_100011995733 [0,2,0,0,0,0|1,0,0]=3 15006 B11R0.40 CCCCOCSC[C@@H](O)CO 62a_100011995733_100009815848 [0,2,0,0,0,0|1,0,0]=3 15007 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [0,2,0,0,0,0|0,1,1]=4 15008 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [0,2,0,0,0,0|0,1,1]=4 15009 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [0,2,0,0,0,0|0,1,1]=4 15010 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [0,2,0,0,0,0|0,1,1]=4 15011 B11R0.40 CCCCSCCCN(C)CC 62a_100000210211_100015186262 [0,2,0,0,0,0|0,1,0]=3 15012 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [0,2,0,0,0,0|0,1,1]=4 15013 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [0,2,0,0,0,0|0,1,1]=4 15014 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [0,2,0,0,0,0|0,1,1]=4 15015 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [0,2,0,0,0,0|0,1,1]=4 15016 B11R0.40 CCCCSCCNC(C)C#N 2230a_100025743550_100000184139 [0,2,0,0,0,0|1,1,0]=4 15017 B11R0.40 CCCCSCCNC(C)CC 2230a_100025743550_100000758301 [0,2,0,0,0,0|0,1,0]=3 15018 B11R0.40 CCCCSCCNC(C)CO 2230a_100025743550_100012180447 [0,2,0,0,0,0|1,1,0]=4 15019 B11R0.40 CCCCSCCOC(C)C#N 7a_200000230436_100000703298 [0,2,0,0,0,0|1,1,0]=4 15020 B11R0.40 CCCCSCCOC(C)CC 34a_200000230436_100011215416 [0,2,0,0,0,0|0,1,0]=3 15021 B11R0.40 CCCCSCCOC(C)CC 7a_200000230436_100000758301 [0,2,0,0,0,0|0,1,0]=3 15022 B11R0.40 CCCCSCCOC(C)CO 34a_200000230436_100012180447 [0,2,0,0,0,0|1,1,0]=4 15023 B11R0.40 CCCCSCCOC(C)CO 7a_200000230436_100012180447 [0,2,0,0,0,0|1,1,0]=4 15024 B11R0.40 CCCOCCCNC(C)CC 2230a_100011217757_100000758301 [0,2,0,0,0,0|2,0,0]=4 15025 B11R0.40 CCCOCCCNC(C)CC 34a_100011217757_100011215416 [0,2,0,0,0,0|2,0,0]=4 15026 B11R0.40 CCCOCCNCC(C)CC 2230a_100020588543_100011215938 [0,2,0,0,0,0|1,0,0]=3 15027 B11R0.40 CCCOCCNCC(C)CC 2230a_100161115042_100000748023 [0,2,0,0,0,0|1,0,0]=3 15028 B11R0.40 CCCOCCNCC(C)CC 270004a_100161115042_100000243153 [0,2,0,0,0,0|1,0,0]=3 15029 B11R0.40 CCCOCCNCC(C)CC 34a_100161115042_100000748023 [0,2,0,0,0,0|1,0,0]=3 15030 B11R0.40 CCCOCCNCC(C)CO 34a_100000744482_100011215938 [0,2,0,0,0,0|2,0,0]=4 15031 B11R0.40 CCCOCCNCC(O)CC 2230a_100011218483_100011215938 [0,2,0,0,0,0|1,0,0]=3 15032 B11R0.40 CCCOCCNCC(O)CC 2230a_100161115042_100011218378 [0,2,0,0,0,0|1,0,0]=3 15033 B11R0.40 CCCOCCNCC(O)CC 34a_100161115042_100011218378 [0,2,0,0,0,0|1,0,0]=3 15034 B11R0.40 CCCOCCNCC(O)CO 2230a_100161115042_100011219619 [0,2,0,0,0,0|2,0,0]=4 15035 B11R0.40 CCCOCCNCC(O)CO 34a_100161115042_100011219619 [0,2,0,0,0,0|2,0,0]=4 15036 B11R0.40 CCCOCCNC[C@@H](C)CC 2230a_100161115042_100009816398 [0,2,0,0,0,0|1,0,0]=3 15037 B11R0.40 CCCOCCNC[C@@H](C)CC 34a_100161115042_100009816398 [0,2,0,0,0,0|1,0,0]=3 15038 B11R0.40 CCCOCCNC[C@@H](C)CO 2230a_100161115042_100000059175 [0,2,0,0,0,0|2,0,0]=4 15039 B11R0.40 CCCOCCNC[C@@H](C)CO 34a_100161115042_100000059175 [0,2,0,0,0,0|2,0,0]=4 15040 B11R0.40 CCCOCCNC[C@@H](C)OC 2230a_100020591295_100011215938 [0,2,0,0,0,0|2,0,0]=4 15041 B11R0.40 CCCOCCNC[C@@H](F)CO 34a_100015665980_100011215938 [0,2,0,0,0,0|2,0,0]=4 15042 B11R0.40 CCCOCCNC[C@@H](O)CF 2230a_100161115042_100015614560 [0,2,0,0,0,0|2,0,0]=4 15043 B11R0.40 CCCOCCNC[C@@H](O)CF 34a_100161115042_100015614560 [0,2,0,0,0,0|2,0,0]=4 15044 B11R0.40 CCCOCCNC[C@@H](O)CO 2230a_100161115042_100009815848 [0,2,0,0,0,0|2,0,0]=4 15045 B11R0.40 CCCOCCNC[C@@H](O)CO 34a_100161115042_100009815848 [0,2,0,0,0,0|2,0,0]=4 15046 B11R0.40 CCCOCCNC[C@H](O)CO 2230a_100020644852_100011215938 [0,2,0,0,0,0|2,0,0]=4 15047 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [0,2,0,0,0,0|0,0,1]=3 15048 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [0,2,0,0,0,0|0,0,1]=3 15049 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [0,2,0,0,0,0|1,0,1]=4 15050 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [0,2,0,0,0,0|1,0,1]=4 15051 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [0,2,0,0,0,0|1,0,1]=4 15052 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [0,2,0,0,0,0|1,0,1]=4 15053 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [0,2,0,0,0,0|1,0,1]=4 15054 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [0,2,0,0,0,0|1,0,1]=4 15055 B11R0.40 CCCOCCOCC(C)CC 34a_100000752267_100000748023 [0,2,0,0,0,0|0,0,0]=2 15056 B11R0.40 CCCOCCOCC(C)CC 7a_100000752267_100000748023 [0,2,0,0,0,0|0,0,0]=2 15057 B11R0.40 CCCOCCOCC(C)CN 34a_100000744482_100011215938 [0,2,0,0,0,0|1,0,0]=3 15058 B11R0.40 CCCOCCOCC(C)OC 34a_100000690652_100011215938 [0,2,0,0,0,0|1,0,0]=3 15059 B11R0.40 CCCOCCOCC(Cl)CCl 34a_100000033668_100011215938 [0,2,0,0,0,0|1,0,0]=3 15060 B11R0.40 CCCOCCOCC(O)CC 34a_100000752267_100011218378 [0,2,0,0,0,0|0,0,0]=2 15061 B11R0.40 CCCOCCOCC(O)CC 7a_100000752267_100011218378 [0,2,0,0,0,0|0,0,0]=2 15062 B11R0.40 CCCOCCOCC(O)CO 34a_100000752267_100011219619 [0,2,0,0,0,0|1,0,0]=3 15063 B11R0.40 CCCOCCOCC(O)CO 7a_100000752267_100011219619 [0,2,0,0,0,0|1,0,0]=3 15064 B11R0.40 CCCOCCOC[C@@H](C)CC 34a_100000752267_100009816398 [0,2,0,0,0,0|0,0,0]=2 15065 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100000752267_100009816398 [0,2,0,0,0,0|0,0,0]=2 15066 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100009816381_100011215938 [0,2,0,0,0,0|0,0,0]=2 15067 B11R0.40 CCCOCCOC[C@@H](C)CO 34a_100000752267_100000059175 [0,2,0,0,0,0|1,0,0]=3 15068 B11R0.40 CCCOCCOC[C@@H](C)CO 7a_100000752267_100000059175 [0,2,0,0,0,0|1,0,0]=3 15069 B11R0.40 CCCOCCOC[C@@H](O)CF 34a_100000752267_100015614560 [0,2,0,0,0,0|1,0,0]=3 15070 B11R0.40 CCCOCCOC[C@@H](O)CF 7a_100000752267_100015614560 [0,2,0,0,0,0|1,0,0]=3 15071 B11R0.40 CCCOCCOC[C@@H](O)CO 34a_100000752267_100009815848 [0,2,0,0,0,0|1,0,0]=3 15072 B11R0.40 CCCOCCOC[C@@H](O)CO 7a_100000752267_100009815848 [0,2,0,0,0,0|1,0,0]=3 15073 B11R0.40 CCCOCCOC[C@H](F)CN 34a_100015665980_100011215938 [0,2,0,0,0,0|1,0,0]=3 15074 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [0,2,0,0,0,0|0,1,1]=4 15075 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [0,2,0,0,0,0|0,1,1]=4 15076 B11R0.40 CCCOCCSCC(C)CC 62a_100000748023_100011215938 [0,2,0,0,0,0|0,1,0]=3 15077 B11R0.40 CCCOCCSCC(C)CC 62a_100011215938_100000748023 [0,2,0,0,0,0|0,1,0]=3 15078 B11R0.40 CCCOCCSCC(O)CC 62a_100011215938_100011218378 [0,2,0,0,0,0|0,1,0]=3 15079 B11R0.40 CCCOCCSCC(O)CC 62a_100011218378_100011215938 [0,2,0,0,0,0|0,1,0]=3 15080 B11R0.40 CCCOCCSCC(O)CO 62a_100011215938_100011219619 [0,2,0,0,0,0|1,1,0]=4 15081 B11R0.40 CCCOCCSCC(O)CO 62a_100011219619_100011215938 [0,2,0,0,0,0|1,1,0]=4 15082 B11R0.40 CCCOCCSC[C@@H](C)CC 62a_100009816398_100011215938 [0,2,0,0,0,0|0,1,0]=3 15083 B11R0.40 CCCOCCSC[C@@H](C)CC 62a_100011215938_100009816398 [0,2,0,0,0,0|0,1,0]=3 15084 B11R0.40 CCCOCCSC[C@@H](C)CO 62a_100000059175_100011215938 [0,2,0,0,0,0|1,1,0]=4 15085 B11R0.40 CCCOCCSC[C@@H](C)CO 62a_100011215938_100000059175 [0,2,0,0,0,0|1,1,0]=4 15086 B11R0.40 CCCOCCSC[C@@H](O)CF 62a_100011215938_100015614560 [0,2,0,0,0,0|1,1,0]=4 15087 B11R0.40 CCCOCCSC[C@@H](O)CF 62a_100015614560_100011215938 [0,2,0,0,0,0|1,1,0]=4 15088 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100009815848_100011215938 [0,2,0,0,0,0|1,1,0]=4 15089 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100011215938_100009815848 [0,2,0,0,0,0|1,1,0]=4 15090 B11R0.40 CCCSCCNCC(C)CC 2230a_100020603323_100000748023 [0,2,0,0,0,0|1,0,0]=3 15091 B11R0.40 CCCSCCNCC(C)CC 270004a_100020603323_100000243153 [0,2,0,0,0,0|1,0,0]=3 15092 B11R0.40 CCCSCCNCC(O)CC 2230a_100020603323_100011218378 [0,2,0,0,0,0|1,0,0]=3 15093 B11R0.40 CCCSCCNCC(O)CO 2230a_100020603323_100011219619 [0,2,0,0,0,0|2,0,0]=4 15094 B11R0.40 CCCSCCNC[C@@H](C)CC 2230a_100020603323_100009816398 [0,2,0,0,0,0|1,0,0]=3 15095 B11R0.40 CCCSCCNC[C@@H](C)CO 2230a_100020603323_100000059175 [0,2,0,0,0,0|2,0,0]=4 15096 B11R0.40 CCCSCCNC[C@@H](O)CF 2230a_100020603323_100015614560 [0,2,0,0,0,0|2,0,0]=4 15097 B11R0.40 CCCSCCNC[C@@H](O)CO 2230a_100020603323_100009815848 [0,2,0,0,0,0|2,0,0]=4 15098 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [0,2,0,0,0,0|0,0,1]=3 15099 B11R0.40 CCCSCCOCC(=O)NC 34a_200000230433_100000183359 [0,2,0,0,0,0|1,0,1]=4 15100 B11R0.40 CCCSCCOCC(=O)NC 7a_200000230433_100000183359 [0,2,0,0,0,0|1,0,1]=4 15101 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [0,2,0,0,0,0|1,0,1]=4 15102 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [0,2,0,0,0,0|1,0,1]=4 15103 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [0,2,0,0,0,0|1,0,1]=4 15104 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [0,2,0,0,0,0|1,0,1]=4 15105 B11R0.40 CCCSCCOCC(C)CC 34a_200000230433_100000748023 [0,2,0,0,0,0|0,0,0]=2 15106 B11R0.40 CCCSCCOCC(C)CC 7a_200000230433_100000748023 [0,2,0,0,0,0|0,0,0]=2 15107 B11R0.40 CCCSCCOCC(O)CC 34a_200000230433_100011218378 [0,2,0,0,0,0|0,0,0]=2 15108 B11R0.40 CCCSCCOCC(O)CC 7a_200000230433_100011218378 [0,2,0,0,0,0|0,0,0]=2 15109 B11R0.40 CCCSCCOCC(O)CO 34a_200000230433_100011219619 [0,2,0,0,0,0|1,0,0]=3 15110 B11R0.40 CCCSCCOCC(O)CO 7a_200000230433_100011219619 [0,2,0,0,0,0|1,0,0]=3 15111 B11R0.40 CCCSCCOC[C@@H](C)CC 34a_200000230433_100009816398 [0,2,0,0,0,0|0,0,0]=2 15112 B11R0.40 CCCSCCOC[C@@H](C)CC 7a_200000230433_100009816398 [0,2,0,0,0,0|0,0,0]=2 15113 B11R0.40 CCCSCCOC[C@@H](C)CO 34a_200000230433_100000059175 [0,2,0,0,0,0|1,0,0]=3 15114 B11R0.40 CCCSCCOC[C@@H](C)CO 7a_200000230433_100000059175 [0,2,0,0,0,0|1,0,0]=3 15115 B11R0.40 CCCSCCOC[C@@H](O)CF 34a_200000230433_100015614560 [0,2,0,0,0,0|1,0,0]=3 15116 B11R0.40 CCCSCCOC[C@@H](O)CF 7a_200000230433_100015614560 [0,2,0,0,0,0|1,0,0]=3 15117 B11R0.40 CCCSCCOC[C@@H](O)CO 34a_200000230433_100009815848 [0,2,0,0,0,0|1,0,0]=3 15118 B11R0.40 CCCSCCOC[C@@H](O)CO 7a_200000230433_100009815848 [0,2,0,0,0,0|1,0,0]=3 15119 B11R0.40 CCN(C)CCCCCCCO 2230a_100000225621_100000760002 [0,2,0,0,0,0|2,0,0]=4 15120 B11R0.40 CCN(C)CCCCCCCO 269982a_100000225621_100000760002 [0,2,0,0,0,0|2,0,0]=4 15121 B11R0.40 CCN(C)CCCCCCOC 2230a_100000225621_100011998445 [0,2,0,0,0,0|2,0,0]=4 15122 B11R0.40 CCN(C)CCCCCCOC 269982a_100000225621_100011998445 [0,2,0,0,0,0|2,0,0]=4 15123 B11R0.40 CCN(C)CCCNCCCF 2230a_100015189416_100015186262 [0,2,0,0,0,0|2,0,0]=4 15124 B11R0.40 CCN(C)CCCNCCOC 2230a_100000209980_100015186262 [0,2,0,0,0,0|2,0,0]=4 15125 B11R0.40 CCN(C)CCCNCCSC 2230a_100020590264_100015186262 [0,2,0,0,0,0|2,0,0]=4 15126 B11R0.40 CCN(C)CCCOCCOC 2230a_100000225621_100011216529 [0,2,0,0,0,0|1,0,0]=3 15127 B11R0.40 CCN(C)CCCOCCOC 269982a_100000225621_100011216529 [0,2,0,0,0,0|1,0,0]=3 15128 B11R0.40 CCN(C)CCCOCCSC 7a_100000230434_100015186262 [0,2,0,0,0,0|1,0,0]=3 15129 B11R0.40 CCN(C)CCCSCCCF 62a_100011934791_100015186262 [0,2,0,0,0,0|1,1,0]=4 15130 B11R0.40 CCN(C)CCCSCCCO 62a_100011215043_100015186262 [0,2,0,0,0,0|1,1,0]=4 15131 B11R0.40 CCN(C)CCCSCCOC 62a_100000233755_100015186262 [0,2,0,0,0,0|1,1,0]=4 15132 B11R0.40 CCN(C)CCCSCCSC 62a_100000212216_100015186262 [0,2,0,0,0,0|1,1,0]=4 15133 B11R0.40 CCOCCCCCC(C)CC 7a_200000035636_100000210202 [0,2,0,0,0,0|1,0,0]=3 15134 B11R0.40 CCOCCCNCC(C)CC 2230a_100000210961_100000748023 [0,2,0,0,0,0|1,0,0]=3 15135 B11R0.40 CCOCCCNCC(C)CC 2230a_100020588543_100012232248 [0,2,0,0,0,0|1,0,0]=3 15136 B11R0.40 CCOCCCNCC(C)CC 270004a_100000210961_100000243153 [0,2,0,0,0,0|1,0,0]=3 15137 B11R0.40 CCOCCCNCC(C)CC 34a_100000210961_100000748023 [0,2,0,0,0,0|1,0,0]=3 15138 B11R0.40 CCOCCCNCC(C)CO 34a_100000744482_100012232248 [0,2,0,0,0,0|2,0,0]=4 15139 B11R0.40 CCOCCCNCC(O)CC 2230a_100000210961_100011218378 [0,2,0,0,0,0|1,0,0]=3 15140 B11R0.40 CCOCCCNCC(O)CC 2230a_100011218483_100012232248 [0,2,0,0,0,0|1,0,0]=3 15141 B11R0.40 CCOCCCNCC(O)CC 34a_100000210961_100011218378 [0,2,0,0,0,0|1,0,0]=3 15142 B11R0.40 CCOCCCNCC(O)CO 2230a_100000210961_100011219619 [0,2,0,0,0,0|2,0,0]=4 15143 B11R0.40 CCOCCCNCC(O)CO 34a_100000210961_100011219619 [0,2,0,0,0,0|2,0,0]=4 15144 B11R0.40 CCOCCCNC[C@@H](C)CC 2230a_100000210961_100009816398 [0,2,0,0,0,0|1,0,0]=3 15145 B11R0.40 CCOCCCNC[C@@H](C)CC 34a_100000210961_100009816398 [0,2,0,0,0,0|1,0,0]=3 15146 B11R0.40 CCOCCCNC[C@@H](C)CO 2230a_100000210961_100000059175 [0,2,0,0,0,0|2,0,0]=4 15147 B11R0.40 CCOCCCNC[C@@H](C)CO 34a_100000210961_100000059175 [0,2,0,0,0,0|2,0,0]=4 15148 B11R0.40 CCOCCCNC[C@@H](C)OC 2230a_100020591295_100012232248 [0,2,0,0,0,0|2,0,0]=4 15149 B11R0.40 CCOCCCNC[C@@H](F)CO 34a_100015665980_100012232248 [0,2,0,0,0,0|2,0,0]=4 15150 B11R0.40 CCOCCCNC[C@@H](O)CF 2230a_100000210961_100015614560 [0,2,0,0,0,0|2,0,0]=4 15151 B11R0.40 CCOCCCNC[C@@H](O)CF 34a_100000210961_100015614560 [0,2,0,0,0,0|2,0,0]=4 15152 B11R0.40 CCOCCCNC[C@@H](O)CO 2230a_100000210961_100009815848 [0,2,0,0,0,0|2,0,0]=4 15153 B11R0.40 CCOCCCNC[C@@H](O)CO 34a_100000210961_100009815848 [0,2,0,0,0,0|2,0,0]=4 15154 B11R0.40 CCOCCCNC[C@H](O)CO 2230a_100020644852_100012232248 [0,2,0,0,0,0|2,0,0]=4 15155 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [0,2,0,0,0,0|0,0,1]=3 15156 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [0,2,0,0,0,0|0,0,1]=3 15157 B11R0.40 CCOCCCOCC(=O)NC 34a_100000750040_100012232248 [0,2,0,0,0,0|1,0,1]=4 15158 B11R0.40 CCOCCCOCC(=O)NC 34a_100000757476_100000183359 [0,2,0,0,0,0|1,0,1]=4 15159 B11R0.40 CCOCCCOCC(=O)NC 7a_100000757476_100000183359 [0,2,0,0,0,0|1,0,1]=4 15160 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [0,2,0,0,0,0|1,0,1]=4 15161 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [0,2,0,0,0,0|1,0,1]=4 15162 B11R0.40 CCOCCCOCC(C)CC 34a_100000757476_100000748023 [0,2,0,0,0,0|0,0,0]=2 15163 B11R0.40 CCOCCCOCC(C)CC 7a_100000757476_100000748023 [0,2,0,0,0,0|0,0,0]=2 15164 B11R0.40 CCOCCCOCC(C)CN 34a_100000744482_100012232248 [0,2,0,0,0,0|1,0,0]=3 15165 B11R0.40 CCOCCCOCC(C)OC 34a_100000690652_100012232248 [0,2,0,0,0,0|1,0,0]=3 15166 B11R0.40 CCOCCCOCC(Cl)CCl 34a_100000033668_100012232248 [0,2,0,0,0,0|1,0,0]=3 15167 B11R0.40 CCOCCCOCC(O)CC 34a_100000757476_100011218378 [0,2,0,0,0,0|0,0,0]=2 15168 B11R0.40 CCOCCCOCC(O)CC 7a_100000757476_100011218378 [0,2,0,0,0,0|0,0,0]=2 15169 B11R0.40 CCOCCCOCC(O)CO 34a_100000757476_100011219619 [0,2,0,0,0,0|1,0,0]=3 15170 B11R0.40 CCOCCCOCC(O)CO 7a_100000757476_100011219619 [0,2,0,0,0,0|1,0,0]=3 15171 B11R0.40 CCOCCCOC[C@@H](C)CC 34a_100000757476_100009816398 [0,2,0,0,0,0|0,0,0]=2 15172 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100000757476_100009816398 [0,2,0,0,0,0|0,0,0]=2 15173 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100009816381_100012232248 [0,2,0,0,0,0|0,0,0]=2 15174 B11R0.40 CCOCCCOC[C@@H](C)CO 34a_100000757476_100000059175 [0,2,0,0,0,0|1,0,0]=3 15175 B11R0.40 CCOCCCOC[C@@H](C)CO 7a_100000757476_100000059175 [0,2,0,0,0,0|1,0,0]=3 15176 B11R0.40 CCOCCCOC[C@@H](O)CF 34a_100000757476_100015614560 [0,2,0,0,0,0|1,0,0]=3 15177 B11R0.40 CCOCCCOC[C@@H](O)CF 7a_100000757476_100015614560 [0,2,0,0,0,0|1,0,0]=3 15178 B11R0.40 CCOCCCOC[C@@H](O)CO 34a_100000757476_100009815848 [0,2,0,0,0,0|1,0,0]=3 15179 B11R0.40 CCOCCCOC[C@@H](O)CO 7a_100000757476_100009815848 [0,2,0,0,0,0|1,0,0]=3 15180 B11R0.40 CCOCCCOC[C@H](F)CN 34a_100015665980_100012232248 [0,2,0,0,0,0|1,0,0]=3 15181 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [0,2,0,0,0,0|0,1,1]=4 15182 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [0,2,0,0,0,0|0,1,1]=4 15183 B11R0.40 CCOCCCSCC(C)CC 62a_100000748023_100012232248 [0,2,0,0,0,0|0,1,0]=3 15184 B11R0.40 CCOCCCSCC(C)CC 62a_100012232248_100000748023 [0,2,0,0,0,0|0,1,0]=3 15185 B11R0.40 CCOCCCSCC(O)CC 62a_100011218378_100012232248 [0,2,0,0,0,0|0,1,0]=3 15186 B11R0.40 CCOCCCSCC(O)CC 62a_100012232248_100011218378 [0,2,0,0,0,0|0,1,0]=3 15187 B11R0.40 CCOCCCSCC(O)CO 62a_100011219619_100012232248 [0,2,0,0,0,0|1,1,0]=4 15188 B11R0.40 CCOCCCSCC(O)CO 62a_100012232248_100011219619 [0,2,0,0,0,0|1,1,0]=4 15189 B11R0.40 CCOCCCSC[C@@H](C)CC 62a_100009816398_100012232248 [0,2,0,0,0,0|0,1,0]=3 15190 B11R0.40 CCOCCCSC[C@@H](C)CC 62a_100012232248_100009816398 [0,2,0,0,0,0|0,1,0]=3 15191 B11R0.40 CCOCCCSC[C@@H](C)CO 62a_100000059175_100012232248 [0,2,0,0,0,0|1,1,0]=4 15192 B11R0.40 CCOCCCSC[C@@H](C)CO 62a_100012232248_100000059175 [0,2,0,0,0,0|1,1,0]=4 15193 B11R0.40 CCOCCCSC[C@@H](O)CF 62a_100012232248_100015614560 [0,2,0,0,0,0|1,1,0]=4 15194 B11R0.40 CCOCCCSC[C@@H](O)CF 62a_100015614560_100012232248 [0,2,0,0,0,0|1,1,0]=4 15195 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100009815848_100012232248 [0,2,0,0,0,0|1,1,0]=4 15196 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100012232248_100009815848 [0,2,0,0,0,0|1,1,0]=4 15197 B11R0.40 CCOCCNCCC(C)CC 2230a_100020591266_100011215890 [0,2,0,0,0,0|1,0,0]=3 15198 B11R0.40 CCOCCNCCC(C)CO 2230a_106354213184_100011215890 [0,2,0,0,0,0|2,0,0]=4 15199 B11R0.40 CCOCCNCCC(C)CO 34a_106354213184_100000210147 [0,2,0,0,0,0|2,0,0]=4 15200 B11R0.40 CCOCCOCCC(=O)CC 1458a_100000210414_100011211534 [0,2,0,0,0,0|0,0,1]=3 15201 B11R0.40 CCOCCOCCC(=O)CO 1458a_100000210174_100011211534 [0,2,0,0,0,0|1,0,1]=4 15202 B11R0.40 CCOCCOCCC(=O)NC 34a_100000210136_100012179268 [0,2,0,0,0,0|1,0,1]=4 15203 B11R0.40 CCOCCOCCC(=O)NC 34a_100000754576_100000210147 [0,2,0,0,0,0|1,0,1]=4 15204 B11R0.40 CCOCCOCCC(=O)NC 7a_100000210136_100000737683 [0,2,0,0,0,0|1,0,1]=4 15205 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [0,2,0,0,0,0|1,0,1]=4 15206 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [0,2,0,0,0,0|1,0,1]=4 15207 B11R0.40 CCOCCOCCC(C)CC 7a_100011215188_100011215890 [0,2,0,0,0,0|0,0,0]=2 15208 B11R0.40 CCOCCOCCC(C)OC 7a_100000764861_100011215890 [0,2,0,0,0,0|1,0,0]=3 15209 B11R0.40 CCOCCOCCN(C)CC 2230a_100000225621_100011211534 [0,2,0,0,0,0|1,0,0]=3 15210 B11R0.40 CCOCCOCCN(C)CC 269982a_100000225621_100011211534 [0,2,0,0,0,0|1,0,0]=3 15211 B11R0.40 CCOCSCCCN(C)CC 62a_100000739092_100015186262 [0,2,0,0,0,0|1,1,0]=4 15212 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [0,2,0,0,0,0|0,0,1]=3 15213 B11R0.40 CCSCCCOCC(=O)NC 34a_100011216438_100000183359 [0,2,0,0,0,0|1,0,1]=4 15214 B11R0.40 CCSCCCOCC(=O)NC 7a_100011216438_100000183359 [0,2,0,0,0,0|1,0,1]=4 15215 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [0,2,0,0,0,0|1,0,1]=4 15216 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [0,2,0,0,0,0|1,0,1]=4 15217 B11R0.40 CCSCCCOCC(C)CC 34a_100011216438_100000748023 [0,2,0,0,0,0|0,0,0]=2 15218 B11R0.40 CCSCCCOCC(C)CC 7a_100011216438_100000748023 [0,2,0,0,0,0|0,0,0]=2 15219 B11R0.40 CCSCCCOCC(O)CC 34a_100011216438_100011218378 [0,2,0,0,0,0|0,0,0]=2 15220 B11R0.40 CCSCCCOCC(O)CC 7a_100011216438_100011218378 [0,2,0,0,0,0|0,0,0]=2 15221 B11R0.40 CCSCCCOCC(O)CO 34a_100011216438_100011219619 [0,2,0,0,0,0|1,0,0]=3 15222 B11R0.40 CCSCCCOCC(O)CO 7a_100011216438_100011219619 [0,2,0,0,0,0|1,0,0]=3 15223 B11R0.40 CCSCCCOC[C@@H](C)CC 34a_100011216438_100009816398 [0,2,0,0,0,0|0,0,0]=2 15224 B11R0.40 CCSCCCOC[C@@H](C)CC 7a_100011216438_100009816398 [0,2,0,0,0,0|0,0,0]=2 15225 B11R0.40 CCSCCCOC[C@@H](C)CO 34a_100011216438_100000059175 [0,2,0,0,0,0|1,0,0]=3 15226 B11R0.40 CCSCCCOC[C@@H](C)CO 7a_100011216438_100000059175 [0,2,0,0,0,0|1,0,0]=3 15227 B11R0.40 CCSCCCOC[C@@H](O)CF 34a_100011216438_100015614560 [0,2,0,0,0,0|1,0,0]=3 15228 B11R0.40 CCSCCCOC[C@@H](O)CF 7a_100011216438_100015614560 [0,2,0,0,0,0|1,0,0]=3 15229 B11R0.40 CCSCCCOC[C@@H](O)CO 34a_100011216438_100009815848 [0,2,0,0,0,0|1,0,0]=3 15230 B11R0.40 CCSCCCOC[C@@H](O)CO 7a_100011216438_100009815848 [0,2,0,0,0,0|1,0,0]=3 15231 B11R0.40 CCSCCNCCC(C)CC 2230a_100020591266_100000757381 [0,2,0,0,0,0|1,0,0]=3 15232 B11R0.40 CCSCCNCCC(C)CO 2230a_106354213184_100000757381 [0,2,0,0,0,0|2,0,0]=4 15233 B11R0.40 CCSCCNCCC(C)CO 34a_106354213184_100000757381 [0,2,0,0,0,0|2,0,0]=4 15234 B11R0.40 CCSCCOCCC(=O)NC 34a_100000212035_100012179268 [0,2,0,0,0,0|1,0,1]=4 15235 B11R0.40 CCSCCOCCC(=O)NC 34a_100000754576_100000757381 [0,2,0,0,0,0|1,0,1]=4 15236 B11R0.40 CCSCCOCCC(=O)NC 7a_100000212035_100000737683 [0,2,0,0,0,0|1,0,1]=4 15237 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [0,2,0,0,0,0|1,0,1]=4 15238 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [0,2,0,0,0,0|1,0,1]=4 15239 B11R0.40 CCSCCOCCC(C)CC 7a_100011215188_100000757381 [0,2,0,0,0,0|0,0,0]=2 15240 B11R0.40 CCSCCOCCC(C)OC 7a_100000764861_100000757381 [0,2,0,0,0,0|1,0,0]=3 15241 B11R0.40 CC[C@H](C)CNCCCCCO 2230a_100000762737_100009816398 [0,2,0,0,0,0|1,0,0]=3 15242 B11R0.40 CC[C@H](C)CNCCCCCO 34a_100000762737_100009816398 [0,2,0,0,0,0|1,0,0]=3 15243 B11R0.40 CC[C@H](C)CNCCOCCO 2230a_100000211614_100009816398 [0,2,0,0,0,0|2,0,0]=4 15244 B11R0.40 CC[C@H](C)CNCCOCCO 34a_100000211614_100009816398 [0,2,0,0,0,0|2,0,0]=4 15245 B11R0.40 CC[C@H](C)CNCCSCCO 2230a_100011219999_100009816398 [0,2,0,0,0,0|2,0,0]=4 15246 B11R0.40 CC[C@H](C)COCCCCC#N 7a_100009816381_100000211819 [0,2,0,0,0,0|0,0,1]=3 15247 B11R0.40 CC[C@H](C)COCCCCC=O 7a_100009816381_100000139335 [0,2,0,0,0,0|0,0,1]=3 15248 B11R0.40 CC[C@H](C)COCCCCCBr 34a_100000746331_100009816398 [0,2,0,0,0,0|0,0,0]=2 15249 B11R0.40 CC[C@H](C)COCCCCCBr 7a_100000746331_100009816398 [0,2,0,0,0,0|0,0,0]=2 15250 B11R0.40 CC[C@H](C)COCCCCCCl 34a_100000746330_100009816398 [0,2,0,0,0,0|0,0,0]=2 15251 B11R0.40 CC[C@H](C)COCCCCCCl 7a_100000746330_100009816398 [0,2,0,0,0,0|0,0,0]=2 15252 B11R0.40 CC[C@H](C)COCCCCCF 7a_100009816381_100000729378 [0,2,0,0,0,0|0,0,0]=2 15253 B11R0.40 CC[C@H](C)COCCCCCI 34a_200012148887_100009816398 [0,2,0,0,0,0|0,0,0]=2 15254 B11R0.40 CC[C@H](C)COCCCCCI 7a_200012148887_100009816398 [0,2,0,0,0,0|0,0,0]=2 15255 B11R0.40 CC[C@H](C)COCCCCCN 34a_100000762737_100009816398 [0,2,0,0,0,0|0,0,0]=2 15256 B11R0.40 CC[C@H](C)COCCCCCO 7a_100009816381_100000746330 [0,2,0,0,0,0|0,0,0]=2 15257 B11R0.40 CC[C@H](C)COCCCCOC 34a_100000740925_100009816398 [0,2,0,0,0,0|0,0,0]=2 15258 B11R0.40 CC[C@H](C)COCCCCOC 7a_100009816381_100000730899 [0,2,0,0,0,0|0,0,0]=2 15259 B11R0.40 CC[C@H](C)COCCCCSC 34a_100011217163_100009816398 [0,2,0,0,0,0|0,0,0]=2 15260 B11R0.40 CC[C@H](C)COCCCCSC 7a_100011217163_100009816398 [0,2,0,0,0,0|0,0,0]=2 15261 B11R0.40 CC[C@H](C)COCCOCC#N 7a_100009816381_200000047693 [0,2,0,0,0,0|1,0,1]=4 15262 B11R0.40 CC[C@H](C)COCCOCCBr 34a_100000692535_100009816398 [0,2,0,0,0,0|1,0,0]=3 15263 B11R0.40 CC[C@H](C)COCCOCCBr 7a_100000692535_100009816398 [0,2,0,0,0,0|1,0,0]=3 15264 B11R0.40 CC[C@H](C)COCCOCCCl 34a_100011215305_100009816398 [0,2,0,0,0,0|1,0,0]=3 15265 B11R0.40 CC[C@H](C)COCCOCCCl 7a_100011215305_100009816398 [0,2,0,0,0,0|1,0,0]=3 15266 B11R0.40 CC[C@H](C)COCCOCCF 34a_200015357709_100009816398 [0,2,0,0,0,0|1,0,0]=3 15267 B11R0.40 CC[C@H](C)COCCOCCF 7a_200015357709_100009816398 [0,2,0,0,0,0|1,0,0]=3 15268 B11R0.40 CC[C@H](C)COCCOCCI 34a_100012149058_100009816398 [0,2,0,0,0,0|1,0,0]=3 15269 B11R0.40 CC[C@H](C)COCCOCCI 7a_100012149058_100009816398 [0,2,0,0,0,0|1,0,0]=3 15270 B11R0.40 CC[C@H](C)COCCOCCN 34a_100000211614_100009816398 [0,2,0,0,0,0|1,0,0]=3 15271 B11R0.40 CC[C@H](C)COCCOCCO 7a_100009816381_100011215305 [0,2,0,0,0,0|1,0,0]=3 15272 B11R0.40 CC[C@H](C)CSCCCCC#N 62a_100009816398_100000211819 [0,2,0,0,0,0|0,1,1]=4 15273 B11R0.40 CC[C@H](C)CSCCCCC#N 62a_100011219923_100009816398 [0,2,0,0,0,0|0,1,1]=4 15274 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100000139335_100009816398 [0,2,0,0,0,0|0,1,1]=4 15275 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100009816398_100000139335 [0,2,0,0,0,0|0,1,1]=4 15276 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100000729378_100009816398 [0,2,0,0,0,0|0,1,0]=3 15277 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100009816398_100000729378 [0,2,0,0,0,0|0,1,0]=3 15278 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100000746330_100009816398 [0,2,0,0,0,0|0,1,0]=3 15279 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100009816398_100000746330 [0,2,0,0,0,0|0,1,0]=3 15280 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100000730899_100009816398 [0,2,0,0,0,0|0,1,0]=3 15281 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100009816398_100000730899 [0,2,0,0,0,0|0,1,0]=3 15282 B11R0.40 CC[C@H](C)CSCCOCCO 62a_100009816398_100011215305 [0,2,0,0,0,0|1,1,0]=4 15283 B11R0.40 CC[C@H](C)CSCCOCCO 62a_100011215305_100009816398 [0,2,0,0,0,0|1,1,0]=4 15284 B11R0.40 CC[C@H](C)CSCOCCOC 62a_100000231047_100009816398 [0,2,0,0,0,0|1,0,0]=3 15285 B11R0.40 CC[C@H](C)CSCOCCOC 62a_100009816398_100000231047 [0,2,0,0,0,0|1,0,0]=3 15286 B11R0.40 CNC(=O)CCCOCCCBr 34a_100011217188_100000741757 [0,2,0,0,0,0|1,0,1]=4 15287 B11R0.40 CNC(=O)CCCOCCCCl 34a_100000230001_100000741757 [0,2,0,0,0,0|1,0,1]=4 15288 B11R0.40 CNC(=O)CCCOCCCF 34a_100000759539_100000741757 [0,2,0,0,0,0|1,0,1]=4 15289 B11R0.40 CNC(=O)CCCOCCCN 34a_100000182051_100000741757 [0,2,0,0,0,0|1,0,1]=4 15290 B11R0.40 CNC(=O)CCCOCCOC 34a_100000210237_100000741757 [0,2,0,0,0,0|1,0,1]=4 15291 B11R0.40 CNC(=O)CCCOCCSC 34a_100000230434_100000741757 [0,2,0,0,0,0|1,0,1]=4 15292 B11R0.40 CNC(=O)CCCOCCSC 7a_100000230434_100000741757 [0,2,0,0,0,0|1,0,1]=4 15293 B11R0.40 CNC(=O)CCOCCCCBr 34a_100011216708_100012179268 [0,2,0,0,0,0|1,0,1]=4 15294 B11R0.40 CNC(=O)CCOCCCCCl 34a_100000210776_100012179268 [0,2,0,0,0,0|1,0,1]=4 15295 B11R0.40 CNC(=O)CCOCCCCCl 7a_100000210776_100000737683 [0,2,0,0,0,0|1,0,1]=4 15296 B11R0.40 CNC(=O)CCOCCCCF 34a_100000754576_100000729493 [0,2,0,0,0,0|1,0,1]=4 15297 B11R0.40 CNC(=O)CCOCCCCF 34a_100011995726_100012179268 [0,2,0,0,0,0|1,0,1]=4 15298 B11R0.40 CNC(=O)CCOCCCCF 7a_100011995726_100000737683 [0,2,0,0,0,0|1,0,1]=4 15299 B11R0.40 CNC(=O)CCOCCCCI 34a_200012148704_100012179268 [0,2,0,0,0,0|1,0,1]=4 15300 B11R0.40 CNC(=O)CCOCCCCN 34a_100000750430_100012179268 [0,2,0,0,0,0|1,0,1]=4 15301 B11R0.40 CNC(=O)CCOCCCCO 34a_100000754576_100011216708 [0,2,0,0,0,0|1,0,1]=4 15302 B11R0.40 CNC(=O)CCOCCCOC 34a_100000740835_100012179268 [0,2,0,0,0,0|1,0,1]=4 15303 B11R0.40 CNC(=O)CCOCCCOC 34a_100000754576_100000740836 [0,2,0,0,0,0|1,0,1]=4 15304 B11R0.40 CNC(=O)CCOCCCSC 34a_100000690336_100012179268 [0,2,0,0,0,0|1,0,1]=4 15305 B11R0.40 CNC(=O)CCOCCCSC 7a_100000690336_100000737683 [0,2,0,0,0,0|1,0,1]=4 15306 B11R0.40 CNC(=O)COCCCCCBr 34a_100000746331_100000183359 [0,2,0,0,0,0|1,0,1]=4 15307 B11R0.40 CNC(=O)COCCCCCBr 7a_100000746331_100000183359 [0,2,0,0,0,0|1,0,1]=4 15308 B11R0.40 CNC(=O)COCCCCCCl 34a_100000746330_100000183359 [0,2,0,0,0,0|1,0,1]=4 15309 B11R0.40 CNC(=O)COCCCCCCl 7a_100000746330_100000183359 [0,2,0,0,0,0|1,0,1]=4 15310 B11R0.40 CNC(=O)COCCCCCF 34a_100000750040_100000729378 [0,2,0,0,0,0|1,0,1]=4 15311 B11R0.40 CNC(=O)COCCCCCI 34a_200012148887_100000183359 [0,2,0,0,0,0|1,0,1]=4 15312 B11R0.40 CNC(=O)COCCCCCI 7a_200012148887_100000183359 [0,2,0,0,0,0|1,0,1]=4 15313 B11R0.40 CNC(=O)COCCCCCN 34a_100000762737_100000183359 [0,2,0,0,0,0|1,0,1]=4 15314 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [0,2,0,0,0,0|1,0,1]=4 15315 B11R0.40 CNC(=O)COCCCCOC 34a_100000740925_100000183359 [0,2,0,0,0,0|1,0,1]=4 15316 B11R0.40 CNC(=O)COCCCCOC 34a_100000750040_100000755781 [0,2,0,0,0,0|1,0,1]=4 15317 B11R0.40 CNC(=O)COCCCCSC 34a_100011217163_100000183359 [0,2,0,0,0,0|1,0,1]=4 15318 B11R0.40 CNC(=O)COCCCCSC 7a_100011217163_100000183359 [0,2,0,0,0,0|1,0,1]=4 15319 B11R0.40 CNCCCOCCC(=O)NC 34a_100000213112_100012179268 [0,2,0,0,0,0|1,0,1]=4 15320 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [0,2,0,0,0,0|1,0,1]=4 15321 B11R0.40 CNCCOCCOC(C)CO 34a_100000228057_100012180447 [0,2,0,0,0,0|2,0,0]=4 15322 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [0,2,0,0,0,0|1,0,1]=4 15323 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [0,2,0,0,0,0|1,0,1]=4 15324 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [0,2,0,0,0,0|1,0,1]=4 15325 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [0,2,0,0,0,0|1,0,1]=4 15326 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [0,2,0,0,0,0|1,0,1]=4 15327 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [0,2,0,0,0,0|1,0,1]=4 15328 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [0,2,0,0,0,0|1,0,1]=4 15329 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [0,2,0,0,0,0|1,0,1]=4 15330 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [0,2,0,0,0,0|1,0,1]=4 15331 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [0,2,0,0,0,0|1,0,1]=4 15332 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [0,2,0,0,0,0|1,0,1]=4 15333 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [0,2,0,0,0,0|1,0,1]=4 15334 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [0,2,0,0,0,0|1,0,1]=4 15335 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [0,2,0,0,0,0|1,0,1]=4 15336 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [0,2,0,0,0,0|1,0,1]=4 15337 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [0,2,0,0,0,0|1,0,1]=4 15338 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [0,2,0,0,0,0|1,0,1]=4 15339 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [0,2,0,0,0,0|1,0,1]=4 15340 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [0,2,0,0,0,0|1,0,1]=4 15341 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [0,2,0,0,0,0|1,0,1]=4 15342 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [0,2,0,0,0,0|1,0,1]=4 15343 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [0,2,0,0,0,0|1,0,1]=4 15344 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [0,2,0,0,0,0|1,0,1]=4 15345 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [0,2,0,0,0,0|1,0,1]=4 15346 B11R0.40 COC(C)CCOCCCC#N 7a_100000764861_100000687738 [0,2,0,0,0,0|1,0,1]=4 15347 B11R0.40 COC(C)CCOCCCC=O 7a_100000764861_200011292268 [0,2,0,0,0,0|1,0,1]=4 15348 B11R0.40 COC(C)CCOCCCCF 7a_100000764861_100000729493 [0,2,0,0,0,0|1,0,0]=3 15349 B11R0.40 COC(C)CCOCCCCO 7a_100000764861_100000210776 [0,2,0,0,0,0|1,0,0]=3 15350 B11R0.40 COC(C)COCCCCCF 34a_100000690652_100000729378 [0,2,0,0,0,0|1,0,0]=3 15351 B11R0.40 COC(C)COCCCCCO 34a_100000690652_100000746330 [0,2,0,0,0,0|1,0,0]=3 15352 B11R0.40 COC(C)COCCOCCO 34a_100000690652_100000692535 [0,2,0,0,0,0|2,0,0]=4 15353 B11R0.40 COCCCCNCC(C)CO 34a_100000744482_100000755781 [0,2,0,0,0,0|2,0,0]=4 15354 B11R0.40 COCCCCNC[C@@H](C)OC 2230a_100020591295_100000730899 [0,2,0,0,0,0|2,0,0]=4 15355 B11R0.40 COCCCCNC[C@@H](F)CO 34a_100015665980_100000755781 [0,2,0,0,0,0|2,0,0]=4 15356 B11R0.40 COCCCCNC[C@H](O)CO 2230a_100020644852_100000730899 [0,2,0,0,0,0|2,0,0]=4 15357 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [0,2,0,0,0,0|1,0,1]=4 15358 B11R0.40 COCCCCOCC(C)CN 34a_100000744482_100000755781 [0,2,0,0,0,0|1,0,0]=3 15359 B11R0.40 COCCCCOCC(C)OC 34a_100000690652_100000755781 [0,2,0,0,0,0|1,0,0]=3 15360 B11R0.40 COCCCCOCC(Cl)CCl 34a_100000033668_100000755781 [0,2,0,0,0,0|1,0,0]=3 15361 B11R0.40 COCCCCOCC(O)CO 34a_100000740925_100011219619 [0,2,0,0,0,0|1,0,0]=3 15362 B11R0.40 COCCCCOC[C@@H](C)CO 34a_100000740925_100000059175 [0,2,0,0,0,0|1,0,0]=3 15363 B11R0.40 COCCCCOC[C@@H](O)CF 34a_100000740925_100015614560 [0,2,0,0,0,0|1,0,0]=3 15364 B11R0.40 COCCCCOC[C@@H](O)CO 34a_100000740925_100009815848 [0,2,0,0,0,0|1,0,0]=3 15365 B11R0.40 COCCCCOC[C@H](F)CN 34a_100015665980_100000755781 [0,2,0,0,0,0|1,0,0]=3 15366 B11R0.40 COCCCCSCC(O)CO 62a_100000730899_100011219619 [0,2,0,0,0,0|1,1,0]=4 15367 B11R0.40 COCCCCSCC(O)CO 62a_100011219619_100000730899 [0,2,0,0,0,0|1,1,0]=4 15368 B11R0.40 COCCCCSC[C@@H](C)CO 62a_100000059175_100000730899 [0,2,0,0,0,0|1,1,0]=4 15369 B11R0.40 COCCCCSC[C@@H](C)CO 62a_100000730899_100000059175 [0,2,0,0,0,0|1,1,0]=4 15370 B11R0.40 COCCCCSC[C@@H](O)CF 62a_100000730899_100015614560 [0,2,0,0,0,0|1,1,0]=4 15371 B11R0.40 COCCCCSC[C@@H](O)CF 62a_100015614560_100000730899 [0,2,0,0,0,0|1,1,0]=4 15372 B11R0.40 COCCCCSC[C@@H](O)CO 62a_100000730899_100009815848 [0,2,0,0,0,0|1,1,0]=4 15373 B11R0.40 COCCCCSC[C@@H](O)CO 62a_100009815848_100000730899 [0,2,0,0,0,0|1,1,0]=4 15374 B11R0.40 COCCCNCCC(C)CO 2230a_106354213184_100000740836 [0,2,0,0,0,0|2,0,0]=4 15375 B11R0.40 COCCCNCCC(C)CO 34a_106354213184_100000740836 [0,2,0,0,0,0|2,0,0]=4 15376 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [0,2,0,0,0,0|1,0,1]=4 15377 B11R0.40 COCCCOCCC(C)OC 7a_100000764861_100000740836 [0,2,0,0,0,0|1,0,0]=3 15378 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [0,2,0,0,0,0|1,0,1]=4 15379 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [0,2,0,0,0,0|1,0,1]=4 15380 B11R0.40 COCCOCCC[C@@H](C)CN 34a_100160569302_100011201679 [0,2,0,0,0,0|1,0,0]=3 15381 B11R0.40 COCCOCCNC(C)C#N 2230a_100000737613_100000695917 [0,2,0,0,0,0|2,0,0]=4 15382 B11R0.40 COCCOCCNC(C)C#N 2230a_100000745349_100000184139 [0,2,0,0,0,0|2,0,0]=4 15383 B11R0.40 COCCOCCNC(C)CO 2230a_100000745349_100012180447 [0,2,0,0,0,0|2,0,0]=4 15384 B11R0.40 COCCOCCNC(C)CO 34a_100000745349_100012180447 [0,2,0,0,0,0|2,0,0]=4 15385 B11R0.40 COCCOCCN[C@H](C)CO 2230a_100000737577_100000695917 [0,2,0,0,0,0|2,0,0]=4 15386 B11R0.40 COCCOCCOC(C)C#N 34a_100011218135_100000695917 [0,2,0,0,0,0|2,0,0]=4 15387 B11R0.40 COCCOCCOC(C)C#N 7a_100011215163_100000703298 [0,2,0,0,0,0|2,0,0]=4 15388 B11R0.40 COCCOCCOC(C)CF 34a_100016041109_100000695917 [0,2,0,0,0,0|2,0,0]=4 15389 B11R0.40 COCCOCCOC(C)CF 7a_100016041109_100000695917 [0,2,0,0,0,0|2,0,0]=4 15390 B11R0.40 COCCOCCOC(C)CN 34a_100000210904_100000695917 [0,2,0,0,0,0|2,0,0]=4 15391 B11R0.40 COCCOCCOC(C)CO 34a_100011215163_100012180447 [0,2,0,0,0,0|2,0,0]=4 15392 B11R0.40 COCCOCCOC(C)CO 7a_100011215163_100012180447 [0,2,0,0,0,0|2,0,0]=4 15393 B11R0.40 COCCOCCSC(C)C#N 62a_100000695917_100000703298 [0,2,0,0,0,0|2,0,0]=4 15394 B11R0.40 COCCOCCSC(C)C#N 62a_100000703298_100000695917 [0,2,0,0,0,0|2,0,0]=4 15395 B11R0.40 COCCOCCSC(C)CO 62a_100012180447_100000695917 [0,2,0,0,0,0|2,0,0]=4 15396 B11R0.40 COCCOCCSC(C)OC 62a_100000695917_100009879195 [0,2,0,0,0,0|2,0,0]=4 15397 B11R0.40 COCCOCCSC(C)OC 62a_100009879195_100000695917 [0,2,0,0,0,0|2,0,0]=4 15398 B11R0.40 COCCOCCS[C@H](C)CO 62a_100000695917_100016084084 [0,2,0,0,0,0|2,0,0]=4 15399 B11R0.40 COCCOCCS[C@H](C)CO 62a_100016084084_100000695917 [0,2,0,0,0,0|2,0,0]=4 15400 B11R0.40 COCCOCNC[C@@H](C)OC 2230a_100020591295_100000231047 [0,2,0,0,0,0|2,0,0]=4 15401 B11R0.40 COCCOCNC[C@H](O)CO 2230a_100020644852_100000231047 [0,2,0,0,0,0|2,0,0]=4 15402 B11R0.40 COCCOCSCC(O)CO 62a_100000231047_100011219619 [0,2,0,0,0,0|2,0,0]=4 15403 B11R0.40 COCCOCSCC(O)CO 62a_100011219619_100000231047 [0,2,0,0,0,0|2,0,0]=4 15404 B11R0.40 COCCOCSC[C@@H](C)CO 62a_100000059175_100000231047 [0,2,0,0,0,0|2,0,0]=4 15405 B11R0.40 COCCOCSC[C@@H](C)CO 62a_100000231047_100000059175 [0,2,0,0,0,0|2,0,0]=4 15406 B11R0.40 COCCOCSC[C@@H](O)CF 62a_100000231047_100015614560 [0,2,0,0,0,0|2,0,0]=4 15407 B11R0.40 COCCOCSC[C@@H](O)CF 62a_100015614560_100000231047 [0,2,0,0,0,0|2,0,0]=4 15408 B11R0.40 COCCOCSC[C@@H](O)CO 62a_100000231047_100009815848 [0,2,0,0,0,0|2,0,0]=4 15409 B11R0.40 COCCOCSC[C@@H](O)CO 62a_100009815848_100000231047 [0,2,0,0,0,0|2,0,0]=4 15410 B11R0.40 CO[C@H](C)CNCCCCCF 2230a_100020591295_100000729378 [0,2,0,0,0,0|2,0,0]=4 15411 B11R0.40 CO[C@H](C)CNCCCCCO 2230a_100020591295_100000746330 [0,2,0,0,0,0|2,0,0]=4 15412 B11R0.40 CSCCCCOCC(O)CO 34a_100011217163_100011219619 [0,2,0,0,0,0|1,0,0]=3 15413 B11R0.40 CSCCCCOCC(O)CO 7a_100011217163_100011219619 [0,2,0,0,0,0|1,0,0]=3 15414 B11R0.40 CSCCCCOC[C@@H](C)CO 34a_100011217163_100000059175 [0,2,0,0,0,0|1,0,0]=3 15415 B11R0.40 CSCCCCOC[C@@H](C)CO 7a_100011217163_100000059175 [0,2,0,0,0,0|1,0,0]=3 15416 B11R0.40 CSCCCCOC[C@@H](O)CF 34a_100011217163_100015614560 [0,2,0,0,0,0|1,0,0]=3 15417 B11R0.40 CSCCCCOC[C@@H](O)CF 7a_100011217163_100015614560 [0,2,0,0,0,0|1,0,0]=3 15418 B11R0.40 CSCCCCOC[C@@H](O)CO 34a_100011217163_100009815848 [0,2,0,0,0,0|1,0,0]=3 15419 B11R0.40 CSCCCCOC[C@@H](O)CO 7a_100011217163_100009815848 [0,2,0,0,0,0|1,0,0]=3 15420 B11R0.40 CSCCOCCC[C@@H](C)CN 34a_100160569302_100000212216 [0,2,0,0,0,0|1,0,0]=3 15421 B11R0.40 C[C@@H](CN)CCCOCCCF 34a_100160569302_100011934791 [0,2,0,0,0,0|1,0,0]=3 15422 B11R0.40 C[C@@H](CN)CCCOCCCO 34a_100160569302_100000230001 [0,2,0,0,0,0|1,0,0]=3 15423 B11R0.40 C[C@@H](CO)CNCCCCCO 2230a_100000762737_100000059175 [0,2,0,0,0,0|2,0,0]=4 15424 B11R0.40 C[C@@H](CO)CNCCCCCO 34a_100000762737_100000059175 [0,2,0,0,0,0|2,0,0]=4 15425 B11R0.40 C[C@@H](CO)COCCCCCBr 34a_100000746331_100000059175 [0,2,0,0,0,0|1,0,0]=3 15426 B11R0.40 C[C@@H](CO)COCCCCCBr 7a_100000746331_100000059175 [0,2,0,0,0,0|1,0,0]=3 15427 B11R0.40 C[C@@H](CO)COCCCCCCl 34a_100000746330_100000059175 [0,2,0,0,0,0|1,0,0]=3 15428 B11R0.40 C[C@@H](CO)COCCCCCCl 7a_100000746330_100000059175 [0,2,0,0,0,0|1,0,0]=3 15429 B11R0.40 C[C@@H](CO)COCCCCCI 34a_200012148887_100000059175 [0,2,0,0,0,0|1,0,0]=3 15430 B11R0.40 C[C@@H](CO)COCCCCCI 7a_200012148887_100000059175 [0,2,0,0,0,0|1,0,0]=3 15431 B11R0.40 C[C@@H](CO)COCCCCCN 34a_100000762737_100000059175 [0,2,0,0,0,0|1,0,0]=3 15432 B11R0.40 C[C@@H](CO)COCCOCCBr 34a_100000692535_100000059175 [0,2,0,0,0,0|2,0,0]=4 15433 B11R0.40 C[C@@H](CO)COCCOCCBr 7a_100000692535_100000059175 [0,2,0,0,0,0|2,0,0]=4 15434 B11R0.40 C[C@@H](CO)COCCOCCCl 34a_100011215305_100000059175 [0,2,0,0,0,0|2,0,0]=4 15435 B11R0.40 C[C@@H](CO)COCCOCCCl 7a_100011215305_100000059175 [0,2,0,0,0,0|2,0,0]=4 15436 B11R0.40 C[C@@H](CO)COCCOCCF 34a_200015357709_100000059175 [0,2,0,0,0,0|2,0,0]=4 15437 B11R0.40 C[C@@H](CO)COCCOCCF 7a_200015357709_100000059175 [0,2,0,0,0,0|2,0,0]=4 15438 B11R0.40 C[C@@H](CO)COCCOCCI 34a_100012149058_100000059175 [0,2,0,0,0,0|2,0,0]=4 15439 B11R0.40 C[C@@H](CO)COCCOCCI 7a_100012149058_100000059175 [0,2,0,0,0,0|2,0,0]=4 15440 B11R0.40 C[C@@H](CO)COCCOCCN 34a_100000211614_100000059175 [0,2,0,0,0,0|2,0,0]=4 15441 B11R0.40 C[C@@H](CO)CSCCCCCF 62a_100000059175_100000729378 [0,2,0,0,0,0|1,1,0]=4 15442 B11R0.40 C[C@@H](CO)CSCCCCCF 62a_100000729378_100000059175 [0,2,0,0,0,0|1,1,0]=4 15443 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000059175_100000746330 [0,2,0,0,0,0|1,1,0]=4 15444 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000746330_100000059175 [0,2,0,0,0,0|1,1,0]=4 15445 B11R0.40 FCCCCCOCC(Cl)CCl 34a_100000033668_100000729378 [0,2,0,0,0,0|1,0,0]=3 15446 B11R0.40 NCCCCCOCC(O)CO 34a_100000762737_100011219619 [0,2,0,0,0,0|1,0,0]=3 15447 B11R0.40 NCCCCCOC[C@@H](O)CF 34a_100000762737_100015614560 [0,2,0,0,0,0|1,0,0]=3 15448 B11R0.40 NCCCCCOC[C@@H](O)CO 34a_100000762737_100009815848 [0,2,0,0,0,0|1,0,0]=3 15449 B11R0.40 NCCOCCOCC(O)CO 34a_100000211614_100011219619 [0,2,0,0,0,0|2,0,0]=4 15450 B11R0.40 NCCOCCOC[C@@H](O)CF 34a_100000211614_100015614560 [0,2,0,0,0,0|2,0,0]=4 15451 B11R0.40 NCCOCCOC[C@@H](O)CO 34a_100000211614_100009815848 [0,2,0,0,0,0|2,0,0]=4 15452 B11R0.40 NC[C@@H](F)COCCCCCF 34a_100015665980_100000729378 [0,2,0,0,0,0|1,0,0]=3 15453 B11R0.40 NC[C@@H](F)COCCCCCO 34a_100015665980_100000746330 [0,2,0,0,0,0|1,0,0]=3 15454 B11R0.40 NC[C@@H](F)COCCOCCO 34a_100015665980_100000692535 [0,2,0,0,0,0|2,0,0]=4 15455 B11R0.40 OCC(O)COCCCCCBr 34a_100000746331_100011219619 [0,2,0,0,0,0|1,0,0]=3 15456 B11R0.40 OCC(O)COCCCCCBr 7a_100000746331_100011219619 [0,2,0,0,0,0|1,0,0]=3 15457 B11R0.40 OCC(O)COCCCCCCl 34a_100000746330_100011219619 [0,2,0,0,0,0|1,0,0]=3 15458 B11R0.40 OCC(O)COCCCCCCl 7a_100000746330_100011219619 [0,2,0,0,0,0|1,0,0]=3 15459 B11R0.40 OCC(O)COCCCCCI 34a_200012148887_100011219619 [0,2,0,0,0,0|1,0,0]=3 15460 B11R0.40 OCC(O)COCCCCCI 7a_200012148887_100011219619 [0,2,0,0,0,0|1,0,0]=3 15461 B11R0.40 OCC(O)COCCOCCBr 34a_100000692535_100011219619 [0,2,0,0,0,0|2,0,0]=4 15462 B11R0.40 OCC(O)COCCOCCBr 7a_100000692535_100011219619 [0,2,0,0,0,0|2,0,0]=4 15463 B11R0.40 OCC(O)COCCOCCCl 34a_100011215305_100011219619 [0,2,0,0,0,0|2,0,0]=4 15464 B11R0.40 OCC(O)COCCOCCCl 7a_100011215305_100011219619 [0,2,0,0,0,0|2,0,0]=4 15465 B11R0.40 OCC(O)COCCOCCF 34a_200015357709_100011219619 [0,2,0,0,0,0|2,0,0]=4 15466 B11R0.40 OCC(O)COCCOCCF 7a_200015357709_100011219619 [0,2,0,0,0,0|2,0,0]=4 15467 B11R0.40 OCC(O)COCCOCCI 34a_100012149058_100011219619 [0,2,0,0,0,0|2,0,0]=4 15468 B11R0.40 OCC(O)COCCOCCI 7a_100012149058_100011219619 [0,2,0,0,0,0|2,0,0]=4 15469 B11R0.40 OCC(O)CSCCCCCF 62a_100000729378_100011219619 [0,2,0,0,0,0|1,1,0]=4 15470 B11R0.40 OCC(O)CSCCCCCF 62a_100011219619_100000729378 [0,2,0,0,0,0|1,1,0]=4 15471 B11R0.40 OCCCCCNCC(O)CO 2230a_100000762737_100011219619 [0,2,0,0,0,0|2,0,0]=4 15472 B11R0.40 OCCCCCNCC(O)CO 34a_100000762737_100011219619 [0,2,0,0,0,0|2,0,0]=4 15473 B11R0.40 OCCCCCNC[C@@H](F)CO 34a_100015665980_100000746330 [0,2,0,0,0,0|2,0,0]=4 15474 B11R0.40 OCCCCCNC[C@@H](O)CF 2230a_100000762737_100015614560 [0,2,0,0,0,0|2,0,0]=4 15475 B11R0.40 OCCCCCNC[C@@H](O)CF 34a_100000762737_100015614560 [0,2,0,0,0,0|2,0,0]=4 15476 B11R0.40 OCCCCCNC[C@@H](O)CO 2230a_100000762737_100009815848 [0,2,0,0,0,0|2,0,0]=4 15477 B11R0.40 OCCCCCNC[C@@H](O)CO 34a_100000762737_100009815848 [0,2,0,0,0,0|2,0,0]=4 15478 B11R0.40 OCCCCCNC[C@H](O)CO 2230a_100020644852_100000746330 [0,2,0,0,0,0|2,0,0]=4 15479 B11R0.40 OCCCCCOCC(Cl)CCl 34a_100000033668_100000746330 [0,2,0,0,0,0|1,0,0]=3 15480 B11R0.40 OCCCCCSCC(O)CO 62a_100000746330_100011219619 [0,2,0,0,0,0|1,1,0]=4 15481 B11R0.40 OCCCCCSCC(O)CO 62a_100011219619_100000746330 [0,2,0,0,0,0|1,1,0]=4 15482 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100000746330_100015614560 [0,2,0,0,0,0|1,1,0]=4 15483 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100015614560_100000746330 [0,2,0,0,0,0|1,1,0]=4 15484 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100000746330_100009815848 [0,2,0,0,0,0|1,1,0]=4 15485 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100009815848_100000746330 [0,2,0,0,0,0|1,1,0]=4 15486 B11R0.40 OCCOCCOCC(Cl)CCl 34a_100000033668_100000692535 [0,2,0,0,0,0|2,0,0]=4 15487 B11R0.40 OC[C@@H](O)CNCCCCCF 2230a_100020644852_100000729378 [0,2,0,0,0,0|2,0,0]=4 15488 B11R0.40 OC[C@H](F)CNCCCCCF 34a_100015665980_100000729378 [0,2,0,0,0,0|2,0,0]=4 15489 B11R0.40 OC[C@H](O)COCCCCCBr 34a_100000746331_100009815848 [0,2,0,0,0,0|1,0,0]=3 15490 B11R0.40 OC[C@H](O)COCCCCCBr 7a_100000746331_100009815848 [0,2,0,0,0,0|1,0,0]=3 15491 B11R0.40 OC[C@H](O)COCCCCCCl 34a_100000746330_100009815848 [0,2,0,0,0,0|1,0,0]=3 15492 B11R0.40 OC[C@H](O)COCCCCCCl 7a_100000746330_100009815848 [0,2,0,0,0,0|1,0,0]=3 15493 B11R0.40 OC[C@H](O)COCCCCCI 34a_200012148887_100009815848 [0,2,0,0,0,0|1,0,0]=3 15494 B11R0.40 OC[C@H](O)COCCCCCI 7a_200012148887_100009815848 [0,2,0,0,0,0|1,0,0]=3 15495 B11R0.40 OC[C@H](O)COCCOCCBr 34a_100000692535_100009815848 [0,2,0,0,0,0|2,0,0]=4 15496 B11R0.40 OC[C@H](O)COCCOCCBr 7a_100000692535_100009815848 [0,2,0,0,0,0|2,0,0]=4 15497 B11R0.40 OC[C@H](O)COCCOCCCl 34a_100011215305_100009815848 [0,2,0,0,0,0|2,0,0]=4 15498 B11R0.40 OC[C@H](O)COCCOCCCl 7a_100011215305_100009815848 [0,2,0,0,0,0|2,0,0]=4 15499 B11R0.40 OC[C@H](O)COCCOCCF 34a_200015357709_100009815848 [0,2,0,0,0,0|2,0,0]=4 15500 B11R0.40 OC[C@H](O)COCCOCCF 7a_200015357709_100009815848 [0,2,0,0,0,0|2,0,0]=4 15501 B11R0.40 OC[C@H](O)COCCOCCI 34a_100012149058_100009815848 [0,2,0,0,0,0|2,0,0]=4 15502 B11R0.40 OC[C@H](O)COCCOCCI 7a_100012149058_100009815848 [0,2,0,0,0,0|2,0,0]=4 15503 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100000729378_100009815848 [0,2,0,0,0,0|1,1,0]=4 15504 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100009815848_100000729378 [0,2,0,0,0,0|1,1,0]=4 15505 B11R0.40 O[C@@H](CF)COCCCCCBr 34a_100000746331_100015614560 [0,2,0,0,0,0|1,0,0]=3 15506 B11R0.40 O[C@@H](CF)COCCCCCBr 7a_100000746331_100015614560 [0,2,0,0,0,0|1,0,0]=3 15507 B11R0.40 O[C@@H](CF)COCCCCCCl 34a_100000746330_100015614560 [0,2,0,0,0,0|1,0,0]=3 15508 B11R0.40 O[C@@H](CF)COCCCCCCl 7a_100000746330_100015614560 [0,2,0,0,0,0|1,0,0]=3 15509 B11R0.40 O[C@@H](CF)COCCCCCI 34a_200012148887_100015614560 [0,2,0,0,0,0|1,0,0]=3 15510 B11R0.40 O[C@@H](CF)COCCCCCI 7a_200012148887_100015614560 [0,2,0,0,0,0|1,0,0]=3 15511 B11R0.40 O[C@@H](CF)COCCOCCBr 34a_100000692535_100015614560 [0,2,0,0,0,0|2,0,0]=4 15512 B11R0.40 O[C@@H](CF)COCCOCCBr 7a_100000692535_100015614560 [0,2,0,0,0,0|2,0,0]=4 15513 B11R0.40 O[C@@H](CF)COCCOCCCl 34a_100011215305_100015614560 [0,2,0,0,0,0|2,0,0]=4 15514 B11R0.40 O[C@@H](CF)COCCOCCCl 7a_100011215305_100015614560 [0,2,0,0,0,0|2,0,0]=4 15515 B11R0.40 O[C@@H](CF)COCCOCCF 34a_200015357709_100015614560 [0,2,0,0,0,0|2,0,0]=4 15516 B11R0.40 O[C@@H](CF)COCCOCCF 7a_200015357709_100015614560 [0,2,0,0,0,0|2,0,0]=4 15517 B11R0.40 O[C@@H](CF)COCCOCCI 34a_100012149058_100015614560 [0,2,0,0,0,0|2,0,0]=4 15518 B11R0.40 O[C@@H](CF)COCCOCCI 7a_100012149058_100015614560 [0,2,0,0,0,0|2,0,0]=4 15519 B11R0.40 O[C@@H](CF)CSCCCCCF 62a_100000729378_100015614560 [0,2,0,0,0,0|1,1,0]=4 15520 B11R0.40 O[C@@H](CF)CSCCCCCF 62a_100015614560_100000729378 [0,2,0,0,0,0|1,1,0]=4 15521 B11R0.42 C#CCCCOC[C@H](N)C(C)C 34a_100011830312_100000695029 [0,2,0,0,0,0|0,0,2]=4 15522 B11R0.42 C#CCCOCCC(N)C(C)C 34a_100161115045_100000688953 [0,2,0,0,0,0|0,0,2]=4 15523 B11R0.42 C/C=C/COCCC(N)C(C)C 34a_100161115045_100102629194 [0,2,0,0,0,0|0,0,2]=4 15524 B11R0.42 C=C(C)C(=O)CCOCCCC 1458a_100000185857_100000743108 [0,2,0,0,0,0|0,0,2]=4 15525 B11R0.42 C=CCCCOC[C@H](N)C(C)C 34a_100011830312_100000757094 [0,2,0,0,0,0|0,0,2]=4 15526 B11R0.42 C=CCCOCCC(N)C(C)C 34a_100161115045_100000754431 [0,2,0,0,0,0|0,0,2]=4 15527 B11R0.42 CC#CCOCCC(N)C(C)C 34a_100161115045_100000748600 [0,2,0,0,0,0|0,0,2]=4 15528 B11R0.42 CC(=O)C(C)COCCCCF 34a_100000032740_100000729493 [0,2,0,0,0,0|1,0,1]=4 15529 B11R0.42 CC(=O)C(C)COCCCCF 7a_100000032740_100000729493 [0,2,0,0,0,0|1,0,1]=4 15530 B11R0.42 CC(=O)C(C)COCCCCO 34a_100000032740_100011216708 [0,2,0,0,0,0|1,0,1]=4 15531 B11R0.42 CC(=O)C(C)COCCCCO 7a_100000032740_100000210776 [0,2,0,0,0,0|1,0,1]=4 15532 B11R0.42 CC(C)C(=O)COCCCCBr 34a_100011216708_100000753385 [0,2,0,0,0,0|1,0,1]=4 15533 B11R0.42 CC(C)C(=O)COCCCCCl 34a_100000210776_100000753385 [0,2,0,0,0,0|1,0,1]=4 15534 B11R0.42 CC(C)C(=O)COCCCCCl 7a_100000210776_100000753385 [0,2,0,0,0,0|1,0,1]=4 15535 B11R0.42 CC(C)C(=O)COCCCCF 34a_100011995726_100000753385 [0,2,0,0,0,0|1,0,1]=4 15536 B11R0.42 CC(C)C(=O)COCCCCF 7a_100011995726_100000753385 [0,2,0,0,0,0|1,0,1]=4 15537 B11R0.42 CC(C)C(=O)COCCCCI 34a_200012148704_100000753385 [0,2,0,0,0,0|1,0,1]=4 15538 B11R0.42 CC(C)C(=O)COCCCCN 34a_100000750430_100000753385 [0,2,0,0,0,0|1,0,1]=4 15539 B11R0.42 CC(C)C(N)CCOCCCF 34a_100161115045_100011934791 [0,2,0,0,0,0|1,0,0]=3 15540 B11R0.42 CC(C)C(N)CCOCCCO 34a_100161115045_100000230001 [0,2,0,0,0,0|1,0,0]=3 15541 B11R0.42 CC(C)C(O)CNCCCCF 2230a_100000759067_100000729493 [0,2,0,0,0,0|2,0,0]=4 15542 B11R0.42 CC(C)C(O)CNCCCCF 34a_100000759067_100000729493 [0,2,0,0,0,0|2,0,0]=4 15543 B11R0.42 CC(C)C(O)CNCCCCO 2230a_100000759067_100000210776 [0,2,0,0,0,0|2,0,0]=4 15544 B11R0.42 CC(C)C(O)CNCCCCO 34a_100000759067_100011216708 [0,2,0,0,0,0|2,0,0]=4 15545 B11R0.42 CC(C)[C@@H](N)COCCCCF 34a_100011830312_100000729493 [0,2,0,0,0,0|1,0,0]=3 15546 B11R0.42 CC(C)[C@@H](N)COCCCCO 34a_100011830312_100011216708 [0,2,0,0,0,0|1,0,0]=3 15547 B11R0.42 CC/C=C\COC[C@H](N)C(C)C 34a_100011830312_100103147603 [0,2,0,0,0,0|0,0,2]=4 15548 B11R0.42 CC=CCOCCC(N)C(C)C 34a_100161115045_100000070051 [0,2,0,0,0,0|0,0,2]=4 15549 B11R0.42 CCC#CCOC[C@H](N)C(C)C 34a_100011830312_100009813939 [0,2,0,0,0,0|0,0,2]=4 15550 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000210198_100000210614 [0,2,0,0,0,0|1,0,1]=4 15551 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000211969_100000210206 [0,2,0,0,0,0|1,0,1]=4 15552 B11R0.42 CCCCCCCC(=O)C(C)F 1458a_100000062450_100000210614 [0,2,0,0,0,0|1,0,1]=4 15553 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [0,2,0,0,0,0|1,0,1]=4 15554 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [0,2,0,0,0,0|1,0,1]=4 15555 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,2,0,0,0,0|1,0,1]=4 15556 B11R0.42 CCCCCCCC(C)N(C)C 2230a_100102631434_200011218727 [0,2,0,0,0,0|2,0,0]=4 15557 B11R0.42 CCCCCCCC(C)N(C)C 269982a_100102631434_200011218727 [0,2,0,0,0,0|2,0,0]=4 15558 B11R0.42 CCCCCCCC(C)N(C)C 270004a_100102631434_100000210596 [0,2,0,0,0,0|2,0,0]=4 15559 B11R0.42 CCCCCCCN(C)C(C)C 2230a_100000228206_100000210206 [0,2,0,0,0,0|2,0,0]=4 15560 B11R0.42 CCCCCCCN(C)C(C)C 269982a_100000228206_100000210206 [0,2,0,0,0,0|2,0,0]=4 15561 B11R0.42 CCCCCCCN(C)C(C)C 269982a_200000211004_100000210681 [0,2,0,0,0,0|2,0,0]=4 15562 B11R0.42 CCCCCCNC(C)C(C)C 2230a_100000211541_100000210314 [0,2,0,0,0,0|2,0,0]=4 15563 B11R0.42 CCCCCCOC(C)C(C)C 7a_100000748068_100000210314 [0,2,0,0,0,0|2,0,0]=4 15564 B11R0.42 CCCCCNCC(=O)C(C)C 2230a_100000209983_100000753385 [0,2,0,0,0,0|1,0,1]=4 15565 B11R0.42 CCCCCNCC(O)C(C)C 2230a_100000759067_100000210326 [0,2,0,0,0,0|1,0,0]=3 15566 B11R0.42 CCCCCNCC(O)C(C)C 34a_100000759067_100000718602 [0,2,0,0,0,0|1,0,0]=3 15567 B11R0.42 CCCCCOCC(=O)C(=O)C 34a_100000210253_100011261029 [0,2,0,0,0,0|0,0,2]=4 15568 B11R0.42 CCCCCOCC(=O)C(C)C 34a_100000210253_100000753385 [0,2,0,0,0,0|0,0,1]=3 15569 B11R0.42 CCCCCOCC(=O)C(C)C 7a_100000210253_100000753385 [0,2,0,0,0,0|0,0,1]=3 15570 B11R0.42 CCCCCOCC(=O)N(C)C 34a_100000210253_100000692301 [0,2,0,0,0,0|1,0,1]=4 15571 B11R0.42 CCCCCOCC(=O)N(C)C 7a_100000210253_100000692301 [0,2,0,0,0,0|1,0,1]=4 15572 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [0,2,0,0,0,0|0,0,1]=3 15573 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [0,2,0,0,0,0|0,0,1]=3 15574 B11R0.42 CCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000718602 [0,2,0,0,0,0|2,0,0]=4 15575 B11R0.42 CCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210326 [0,2,0,0,0,0|2,0,0]=4 15576 B11R0.42 CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000718602 [0,2,0,0,0,0|1,0,1]=4 15577 B11R0.42 CCCCCOC[C@H](N)C(C)C 34a_100011830312_100000718602 [0,2,0,0,0,0|0,0,0]=2 15578 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000210326_100000753385 [0,2,0,0,0,0|0,1,1]=4 15579 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000753385_100000210326 [0,2,0,0,0,0|0,1,1]=4 15580 B11R0.42 CCCCOCCC(=O)C(C)C 1458a_100000210198_100000743108 [0,2,0,0,0,0|0,0,1]=3 15581 B11R0.42 CCCCOCCC(=O)C(C)F 1458a_100000062450_100000743108 [0,2,0,0,0,0|0,0,1]=3 15582 B11R0.42 CCCCOCCC(=O)C(O)O 1458a_100000233687_100000743108 [0,2,0,0,0,0|1,0,1]=4 15583 B11R0.42 CCCCOCCC(=O)N(C)C 34a_200000747469_100000210210 [0,2,0,0,0,0|1,0,1]=4 15584 B11R0.42 CCCCOCCC(=O)N(C)C 7a_100000210227_100000737620 [0,2,0,0,0,0|1,0,1]=4 15585 B11R0.42 CCCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000743108 [0,2,0,0,0,0|0,0,1]=3 15586 B11R0.42 CCCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000743108 [0,2,0,0,0,0|0,0,1]=3 15587 B11R0.42 CCCCOCCC(N)C(C)C 34a_100161115045_100000210210 [0,2,0,0,0,0|0,0,0]=2 15588 B11R0.42 CCCCOCCN(C)C(C)C 269982a_200000211004_100000743108 [0,2,0,0,0,0|1,0,0]=3 15589 B11R0.42 CCCCOCNC(C)C(C)C 2230a_100000211541_100011995733 [0,2,0,0,0,0|1,0,0]=3 15590 B11R0.42 CCCCOCOC(C)C(=O)C 34a_100000212229_100011995733 [0,2,0,0,0,0|1,0,1]=4 15591 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100009814033_100011995733 [0,2,0,0,0,0|1,0,1]=4 15592 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100011995733_100009814033 [0,2,0,0,0,0|1,0,1]=4 15593 B11R0.42 CCOCCNCC(O)C(C)C 2230a_100000759067_100011215890 [0,2,0,0,0,0|2,0,0]=4 15594 B11R0.42 CCOCCNCC(O)C(C)C 34a_100000759067_100000210147 [0,2,0,0,0,0|2,0,0]=4 15595 B11R0.42 CCOCCOCC(=O)C(C)C 34a_100000210136_100000753385 [0,2,0,0,0,0|1,0,1]=4 15596 B11R0.42 CCOCCOCC(=O)C(C)C 7a_100000210136_100000753385 [0,2,0,0,0,0|1,0,1]=4 15597 B11R0.42 CCOCCOCC(C)C(=O)C 34a_100000032740_100000210147 [0,2,0,0,0,0|1,0,1]=4 15598 B11R0.42 CCOCCOCC(C)C(=O)C 7a_100000032740_100011215890 [0,2,0,0,0,0|1,0,1]=4 15599 B11R0.42 CCOCCOC[C@H](N)C(C)C 34a_100011830312_100000210147 [0,2,0,0,0,0|1,0,0]=3 15600 B11R0.42 CCSCCNCC(O)C(C)C 2230a_100000759067_100000757381 [0,2,0,0,0,0|2,0,0]=4 15601 B11R0.42 CCSCCNCC(O)C(C)C 34a_100000759067_100000757381 [0,2,0,0,0,0|2,0,0]=4 15602 B11R0.42 CCSCCOCC(=O)C(C)C 34a_100000212035_100000753385 [0,2,0,0,0,0|1,0,1]=4 15603 B11R0.42 CCSCCOCC(=O)C(C)C 7a_100000212035_100000753385 [0,2,0,0,0,0|1,0,1]=4 15604 B11R0.42 CCSCCOCC(C)C(=O)C 34a_100000032740_100000757381 [0,2,0,0,0,0|1,0,1]=4 15605 B11R0.42 CCSCCOCC(C)C(=O)C 7a_100000032740_100000757381 [0,2,0,0,0,0|1,0,1]=4 15606 B11R0.42 CCSCCOC[C@H](N)C(C)C 34a_100011830312_100000757381 [0,2,0,0,0,0|1,0,0]=3 15607 B11R0.42 CNCCCOCC(=O)C(C)C 34a_100000213112_100000753385 [0,2,0,0,0,0|1,0,1]=4 15608 B11R0.42 COCCCNCC(O)C(C)C 2230a_100000759067_100000740836 [0,2,0,0,0,0|2,0,0]=4 15609 B11R0.42 COCCCNCC(O)C(C)C 34a_100000759067_100000740836 [0,2,0,0,0,0|2,0,0]=4 15610 B11R0.42 COCCCOCC(=O)C(C)C 34a_100000740835_100000753385 [0,2,0,0,0,0|1,0,1]=4 15611 B11R0.42 COCCCOCC(C)C(=O)C 34a_100000032740_100000740836 [0,2,0,0,0,0|1,0,1]=4 15612 B11R0.42 COCCCOCC(C)C(=O)C 7a_100000032740_100000740836 [0,2,0,0,0,0|1,0,1]=4 15613 B11R0.42 COCCCOC[C@H](N)C(C)C 34a_100011830312_100000740836 [0,2,0,0,0,0|1,0,0]=3 15614 B11R0.42 COCCOCCC(=O)C(C)C 1458a_100000210198_100000695917 [0,2,0,0,0,0|1,0,1]=4 15615 B11R0.42 COCCOCCC(=O)C(C)C 1458a_100000745395_100000210206 [0,2,0,0,0,0|1,0,1]=4 15616 B11R0.42 COCCOCCC(=O)C(C)F 1458a_100000062450_100000695917 [0,2,0,0,0,0|1,0,1]=4 15617 B11R0.42 COCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000695917 [0,2,0,0,0,0|1,0,1]=4 15618 B11R0.42 COCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000695917 [0,2,0,0,0,0|1,0,1]=4 15619 B11R0.42 COCCOCCC(N)C(C)C 34a_100161115045_100011201679 [0,2,0,0,0,0|1,0,0]=3 15620 B11R0.42 COCCOCCN(C)C(C)C 269982a_200000211004_100000695917 [0,2,0,0,0,0|2,0,0]=4 15621 B11R0.42 COCCOCNC(C)C(C)C 2230a_100000211541_100000231047 [0,2,0,0,0,0|2,0,0]=4 15622 B11R0.42 CSCCCOCC(=O)C(C)C 34a_100000690336_100000753385 [0,2,0,0,0,0|1,0,1]=4 15623 B11R0.42 CSCCCOCC(=O)C(C)C 7a_100000690336_100000753385 [0,2,0,0,0,0|1,0,1]=4 15624 B11R0.42 CSCCOCCC(N)C(C)C 34a_100161115045_100000212216 [0,2,0,0,0,0|1,0,0]=3 15625 B11R0.46 C#CCCOC(C)CCC(C)C 34a_100011215350_100000688953 [0,2,0,0,0,0|0,0,2]=4 15626 B11R0.46 C#CCCOC(C)CCC(C)C 34a_100011215631_100011261404 [0,2,0,0,0,0|0,0,2]=4 15627 B11R0.46 C#CCCOC(C)CCC(C)C 7a_100011215350_100000688953 [0,2,0,0,0,0|0,0,2]=4 15628 B11R0.46 C/C=C/COC(C)CCC(C)C 34a_100011215350_100102629194 [0,2,0,0,0,0|0,0,2]=4 15629 B11R0.46 C/C=C/COC(C)CCC(C)C 34a_100016270725_100011261404 [0,2,0,0,0,0|0,0,2]=4 15630 B11R0.46 C/C=C/COC(C)CCC(C)C 7a_100011215350_100102629194 [0,2,0,0,0,0|0,0,2]=4 15631 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [0,2,0,0,0,0|1,0,1]=4 15632 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [0,2,0,0,0,0|1,0,1]=4 15633 B11R0.46 C=C(C)CCC(C)NCCCC 270004a_100000102301_100011215600 [0,2,0,0,0,0|1,0,1]=4 15634 B11R0.46 C=C(C)CCN(C)CCCCC 2230a_100000223495_100000730704 [0,2,0,0,0,0|1,0,1]=4 15635 B11R0.46 C=C(C)CCN(C)CCCCC 269982a_100000223495_100000730704 [0,2,0,0,0,0|1,0,1]=4 15636 B11R0.46 C=CCCOC(C)CCC(C)C 34a_100011205117_100011261404 [0,2,0,0,0,0|0,0,2]=4 15637 B11R0.46 C=CCCOC(C)CCC(C)C 34a_100011215350_100000754431 [0,2,0,0,0,0|0,0,2]=4 15638 B11R0.46 C=CCCOC(C)CCC(C)C 7a_100011215350_100000754431 [0,2,0,0,0,0|0,0,2]=4 15639 B11R0.46 CC#CCOC(C)CCC(C)C 34a_100000761923_100011261404 [0,2,0,0,0,0|0,0,2]=4 15640 B11R0.46 CC#CCOC(C)CCC(C)C 34a_100011215350_100000748600 [0,2,0,0,0,0|0,0,2]=4 15641 B11R0.46 CC#CCOC(C)CCC(C)C 7a_100011215350_100000748600 [0,2,0,0,0,0|0,0,2]=4 15642 B11R0.46 CC(C)CCC(=O)CCCCF 1458a_100000181311_100000729493 [0,2,0,0,0,0|2,0,0]=4 15643 B11R0.46 CC(C)CCC(=O)CCCCO 1458a_100000181311_100000210776 [0,2,0,0,0,0|2,0,0]=4 15644 B11R0.46 CC(C)CCC(=O)CCCCO 1458a_100000695505_100000210312 [0,2,0,0,0,0|2,0,0]=4 15645 B11R0.46 CC(C)CCC(C)NCCCF 2230a_100015189416_100011261404 [0,2,0,0,0,0|2,0,0]=4 15646 B11R0.46 CC(C)CCC(C)NCCCF 2230a_100138410893_100011934791 [0,2,0,0,0,0|2,0,0]=4 15647 B11R0.46 CC(C)CCC(C)NCCCF 270004a_100015189416_100000210476 [0,2,0,0,0,0|2,0,0]=4 15648 B11R0.46 CC(C)CCC(C)NCCCF 34a_100015189416_100011261404 [0,2,0,0,0,0|2,0,0]=4 15649 B11R0.46 CC(C)CCC(C)NCCCO 2230a_100138410893_100000230001 [0,2,0,0,0,0|2,0,0]=4 15650 B11R0.46 CC(C)CCC(C)NCCCO 270004a_100000182051_100000210476 [0,2,0,0,0,0|2,0,0]=4 15651 B11R0.46 CC(C)CCC(C)OCCC#N 7a_100011215350_100000184422 [0,2,0,0,0,0|1,0,1]=4 15652 B11R0.46 CC(C)CCC(C)OCCCBr 34a_100011217188_100011261404 [0,2,0,0,0,0|1,0,0]=3 15653 B11R0.46 CC(C)CCC(C)OCCCCl 34a_100000230001_100011261404 [0,2,0,0,0,0|1,0,0]=3 15654 B11R0.46 CC(C)CCC(C)OCCCF 34a_100000759539_100011261404 [0,2,0,0,0,0|1,0,0]=3 15655 B11R0.46 CC(C)CCC(C)OCCCF 34a_100011215350_100011934791 [0,2,0,0,0,0|1,0,0]=3 15656 B11R0.46 CC(C)CCC(C)OCCCF 7a_100011215350_100011934791 [0,2,0,0,0,0|1,0,0]=3 15657 B11R0.46 CC(C)CCC(C)OCCCN 34a_100000182051_100011261404 [0,2,0,0,0,0|1,0,0]=3 15658 B11R0.46 CC(C)CCC(C)OCCCO 34a_100011215350_100000230001 [0,2,0,0,0,0|1,0,0]=3 15659 B11R0.46 CC(C)CCC(C)OCCCO 7a_100011215350_100011215043 [0,2,0,0,0,0|1,0,0]=3 15660 B11R0.46 CC(C)CCC(C)OCCON 34a_100000700252_100011261404 [0,2,0,0,0,0|2,0,0]=4 15661 B11R0.46 CC(C)CCC(C)SCCCF 62a_100011261404_100011934791 [0,2,0,0,0,0|1,1,0]=4 15662 B11R0.46 CC(C)CCC(C)SCCCF 62a_100011934791_100011261404 [0,2,0,0,0,0|1,1,0]=4 15663 B11R0.46 CC(C)CCC(C)SCCCO 62a_100011215043_100011261404 [0,2,0,0,0,0|1,1,0]=4 15664 B11R0.46 CC(C)CCC(C)SCCCO 62a_100011261404_100011215043 [0,2,0,0,0,0|1,1,0]=4 15665 B11R0.46 CC(C)CCN(C)CCCCF 2230a_100000742789_100000729493 [0,2,0,0,0,0|2,0,0]=4 15666 B11R0.46 CC(C)CCN(C)CCCCF 269982a_100000742789_100000729493 [0,2,0,0,0,0|2,0,0]=4 15667 B11R0.46 CC(C)CCN(C)CCCCO 2230a_100000717598_100000210312 [0,2,0,0,0,0|2,0,0]=4 15668 B11R0.46 CC(C)CCN(C)CCCCO 2230a_100000742789_100000210776 [0,2,0,0,0,0|2,0,0]=4 15669 B11R0.46 CC(C)CCN(C)CCCCO 269982a_100000717598_100000210312 [0,2,0,0,0,0|2,0,0]=4 15670 B11R0.46 CC(C)CCN(C)CCCCO 269982a_100000742789_100000210776 [0,2,0,0,0,0|2,0,0]=4 15671 B11R0.46 CC(O)CCC(=O)CCCCO 1458a_100000695505_100012276601 [0,2,0,0,0,0|2,0,0]=4 15672 B11R0.46 CC(O)CCN(C)CCCCO 2230a_100000717598_100012276601 [0,2,0,0,0,0|2,0,0]=4 15673 B11R0.46 CC(O)CCN(C)CCCCO 269982a_100000717598_100012276601 [0,2,0,0,0,0|2,0,0]=4 15674 B11R0.46 CC=CCOC(C)CCC(C)C 34a_100011215350_100000070051 [0,2,0,0,0,0|0,0,2]=4 15675 B11R0.46 CC=CCOC(C)CCC(C)C 7a_100011215350_100000070051 [0,2,0,0,0,0|0,0,2]=4 15676 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000181311_100000210326 [0,2,0,0,0,0|1,0,0]=3 15677 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000212188_100000210312 [0,2,0,0,0,0|1,0,0]=3 15678 B11R0.46 CCCCCC(=O)CCC(C)O 1458a_100000212188_100012276601 [0,2,0,0,0,0|1,0,0]=3 15679 B11R0.46 CCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210326 [0,2,0,0,0,0|2,0,0]=4 15680 B11R0.46 CCCCCC(=O)CNC(C)C 2230a_100138425928_200012276598 [0,2,0,0,0,0|2,0,0]=4 15681 B11R0.46 CCCCCC(=O)CNC(C)C 34a_100138425928_200012276598 [0,2,0,0,0,0|2,0,0]=4 15682 B11R0.46 CCCCCC(=O)COC(C)C 1458a_100000745533_100000210326 [0,2,0,0,0,0|2,0,0]=4 15683 B11R0.46 CCCCCC(=O)COC(C)C 34a_100000212225_200012276598 [0,2,0,0,0,0|2,0,0]=4 15684 B11R0.46 CCCCCC(=O)CSC(C)C 1458a_100000241585_100000210326 [0,2,0,0,0,0|2,0,0]=4 15685 B11R0.46 CCCCCC(=O)CSC(C)C 62a_100000210206_200012276598 [0,2,0,0,0,0|2,0,0]=4 15686 B11R0.46 CCCCCC(=O)CSC(C)C 62a_200012276598_100000210206 [0,2,0,0,0,0|2,0,0]=4 15687 B11R0.46 CCCCCC(=O)NCC(C)C 11a_100000210953_100000212188 [0,2,0,0,0,0|2,0,0]=4 15688 B11R0.46 CCCCCC(=O)NCC(C)C 1626a_100000210953_100000212188 [0,2,0,0,0,0|2,0,0]=4 15689 B11R0.46 CCCCCC(=O)NCC(C)C 240690a_100000210953_100000212188 [0,2,0,0,0,0|2,0,0]=4 15690 B11R0.46 CCCCCC(=O)NCC(C)C 527a_100000210953_100000212188 [0,2,0,0,0,0|2,0,0]=4 15691 B11R0.46 CCCCCC(=O)NCC(C)O 11a_100000210904_100000212188 [0,2,0,0,0,0|2,0,0]=4 15692 B11R0.46 CCCCCC(=O)NCC(C)O 240690a_100000210904_100000212188 [0,2,0,0,0,0|2,0,0]=4 15693 B11R0.46 CCCCCC(=O)NCC(C)O 527a_100000210904_100000212188 [0,2,0,0,0,0|2,0,0]=4 15694 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [0,2,0,0,0,0|1,0,1]=4 15695 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [0,2,0,0,0,0|1,0,1]=4 15696 B11R0.46 CCCCCC(C)NCC(C)C 2230a_100000210953_200011218191 [0,2,0,0,0,0|2,0,0]=4 15697 B11R0.46 CCCCCC(C)NCC(C)C 2230a_100000211957_100000210760 [0,2,0,0,0,0|2,0,0]=4 15698 B11R0.46 CCCCCC(C)NCC(C)C 270004a_100000210953_100000211708 [0,2,0,0,0,0|2,0,0]=4 15699 B11R0.46 CCCCCC(C)NCC(C)C 270004a_100000211957_100000210432 [0,2,0,0,0,0|2,0,0]=4 15700 B11R0.46 CCCCCC(C)NCC(C)C 34a_100000210953_200011218191 [0,2,0,0,0,0|2,0,0]=4 15701 B11R0.46 CCCCCC(C)NCC(C)O 2230a_100000210904_200011218191 [0,2,0,0,0,0|2,0,0]=4 15702 B11R0.46 CCCCCC(C)NCC(C)O 2230a_100000211957_100011218427 [0,2,0,0,0,0|2,0,0]=4 15703 B11R0.46 CCCCCC(C)NCC(C)O 270004a_100000210904_100000211708 [0,2,0,0,0,0|2,0,0]=4 15704 B11R0.46 CCCCCC(C)NCC(C)O 34a_100000210904_200011218191 [0,2,0,0,0,0|2,0,0]=4 15705 B11R0.46 CCCCCC(C)NC[C@@H](C)O 2230a_100000211957_100009817552 [0,2,0,0,0,0|2,0,0]=4 15706 B11R0.46 CCCCCC(C)OCC(C)Br 34a_100012180447_200011218191 [0,2,0,0,0,0|2,0,0]=4 15707 B11R0.46 CCCCCC(C)OCC(C)C 34a_100000210257_200011218191 [0,2,0,0,0,0|2,0,0]=4 15708 B11R0.46 CCCCCC(C)OCC(C)C 34a_100011215632_100000210624 [0,2,0,0,0,0|2,0,0]=4 15709 B11R0.46 CCCCCC(C)OCC(C)C 7a_100011215632_100000210760 [0,2,0,0,0,0|2,0,0]=4 15710 B11R0.46 CCCCCC(C)OCC(C)F 34a_100015925927_200011218191 [0,2,0,0,0,0|2,0,0]=4 15711 B11R0.46 CCCCCC(C)OCC(C)O 34a_100011215632_100011218427 [0,2,0,0,0,0|2,0,0]=4 15712 B11R0.46 CCCCCC(C)OCC(C)O 7a_100011215632_100011218427 [0,2,0,0,0,0|2,0,0]=4 15713 B11R0.46 CCCCCC(C)OC[C@@H](C)Cl 34a_100016084084_200011218191 [0,2,0,0,0,0|2,0,0]=4 15714 B11R0.46 CCCCCC(C)OC[C@@H](C)N 34a_100000737577_200011218191 [0,2,0,0,0,0|2,0,0]=4 15715 B11R0.46 CCCCCC(C)OC[C@@H](C)O 34a_100011215632_100009817552 [0,2,0,0,0,0|2,0,0]=4 15716 B11R0.46 CCCCCC(C)OC[C@@H](C)O 7a_100011215632_100009817552 [0,2,0,0,0,0|2,0,0]=4 15717 B11R0.46 CCCCCC(C)SCC(C)C 62a_100000210624_200011218191 [0,2,0,0,0,0|2,0,0]=4 15718 B11R0.46 CCCCCC(C)SCC(C)C 62a_200011218191_100000210760 [0,2,0,0,0,0|2,0,0]=4 15719 B11R0.46 CCCCCC(C)SCC(C)O 62a_100011218427_200011218191 [0,2,0,0,0,0|2,0,0]=4 15720 B11R0.46 CCCCCC(C)SCC(C)O 62a_200011218191_100011218427 [0,2,0,0,0,0|2,0,0]=4 15721 B11R0.46 CCCCCC(C)SC[C@@H](C)O 62a_100009817552_200011218191 [0,2,0,0,0,0|2,0,0]=4 15722 B11R0.46 CCCCCC(C)SC[C@@H](C)O 62a_200011218191_100009817552 [0,2,0,0,0,0|2,0,0]=4 15723 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [0,2,0,0,0,0|1,0,1]=4 15724 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [0,2,0,0,0,0|1,0,1]=4 15725 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [0,2,0,0,0,0|1,0,1]=4 15726 B11R0.46 CCCCCN(C)CCC(C)C 2230a_100000223495_100000210312 [0,2,0,0,0,0|1,0,0]=3 15727 B11R0.46 CCCCCN(C)CCC(C)C 2230a_100000742789_100000210326 [0,2,0,0,0,0|1,0,0]=3 15728 B11R0.46 CCCCCN(C)CCC(C)C 269982a_100000223495_100000210312 [0,2,0,0,0,0|1,0,0]=3 15729 B11R0.46 CCCCCN(C)CCC(C)C 269982a_100000742789_100000210215 [0,2,0,0,0,0|1,0,0]=3 15730 B11R0.46 CCCCCN(C)CCC(C)O 2230a_100000223495_100012276601 [0,2,0,0,0,0|1,0,0]=3 15731 B11R0.46 CCCCCN(C)CCC(C)O 269982a_100000223495_100012276601 [0,2,0,0,0,0|1,0,0]=3 15732 B11R0.46 CCCCCN(C)CCN(C)C 269982a_100000223495_100000755713 [0,2,0,0,0,0|2,0,0]=4 15733 B11R0.46 CCCCCN(C)CCN(C)C 269982a_100000225618_100000210215 [0,2,0,0,0,0|2,0,0]=4 15734 B11R0.46 CCCCCN(C)COC(C)C 2230a_100000223495_100000709892 [0,2,0,0,0,0|2,0,0]=4 15735 B11R0.46 CCCCCN(C)COC(C)C 269982a_100000223495_100000709892 [0,2,0,0,0,0|2,0,0]=4 15736 B11R0.46 CCCCNC(=O)CCC(C)C 11a_100000102301_100000181311 [0,2,0,0,0,0|1,0,1]=4 15737 B11R0.46 CCCCNC(=O)CCC(C)C 1626a_100000102301_100000181311 [0,2,0,0,0,0|1,0,1]=4 15738 B11R0.46 CCCCNC(=O)CCC(C)C 240690a_100000102301_100000181311 [0,2,0,0,0,0|1,0,1]=4 15739 B11R0.46 CCCCNC(=O)CCC(C)C 527a_100000102301_100000181311 [0,2,0,0,0,0|1,0,1]=4 15740 B11R0.46 CCCCNC(=O)CCC(C)O 1626a_100000102301_100000718519 [0,2,0,0,0,0|1,0,1]=4 15741 B11R0.46 CCCCNC(C)CCC(C)C 2230a_100000102301_100011261404 [0,2,0,0,0,0|1,0,0]=3 15742 B11R0.46 CCCCNC(C)CCC(C)C 2230a_100138410893_100000210211 [0,2,0,0,0,0|1,0,0]=3 15743 B11R0.46 CCCCNC(C)CCC(C)C 270004a_100000102301_100000210476 [0,2,0,0,0,0|1,0,0]=3 15744 B11R0.46 CCCCOC(=O)CNC(C)C 2230a_100138425928_100000211628 [0,2,0,0,0,0|1,0,1]=4 15745 B11R0.46 CCCCOC(=O)CNC(C)C 34a_100138425928_100000211628 [0,2,0,0,0,0|1,0,1]=4 15746 B11R0.46 CCCCOC(=O)COC(C)C 34a_100000212225_100000211628 [0,2,0,0,0,0|1,0,1]=4 15747 B11R0.46 CCCCOC(=O)CSC(C)C 62a_100000210206_100000211628 [0,2,0,0,0,0|1,0,1]=4 15748 B11R0.46 CCCCOC(=O)CSC(C)C 62a_100000211628_100000210206 [0,2,0,0,0,0|1,0,1]=4 15749 B11R0.46 CCCCOC(C)CCC(C)C 34a_100000210227_100011261404 [0,2,0,0,0,0|0,0,0]=2 15750 B11R0.46 CCCCOC(C)CCC(C)C 34a_100011215350_100000210210 [0,2,0,0,0,0|0,0,0]=2 15751 B11R0.46 CCCCOC(C)CCC(C)C 7a_100011215350_100000210211 [0,2,0,0,0,0|0,0,0]=2 15752 B11R0.46 CCCCSC(C)CCC(C)C 62a_100000210211_100011261404 [0,2,0,0,0,0|0,1,0]=3 15753 B11R0.46 CCCCSC(C)CCC(C)C 62a_100011261404_100000210210 [0,2,0,0,0,0|0,1,0]=3 15754 B11R0.46 CCCOCC(=O)CCC(C)C 1458a_100000745993_100000210312 [0,2,0,0,0,0|2,0,0]=4 15755 B11R0.46 CCCOCC(=O)CCC(C)O 1458a_100000745993_100012276601 [0,2,0,0,0,0|2,0,0]=4 15756 B11R0.46 CCCSCC(=O)CCC(C)C 1458a_100000217233_100000210312 [0,2,0,0,0,0|2,0,0]=4 15757 B11R0.46 CCCSCC(=O)CCC(C)O 1458a_100000217233_100012276601 [0,2,0,0,0,0|2,0,0]=4 15758 B11R0.46 CCOCCC(=O)CCC(C)C 1458a_100000181311_100011215890 [0,2,0,0,0,0|2,0,0]=4 15759 B11R0.46 CCOCCC(=O)CCC(C)C 1458a_100000749530_100000210312 [0,2,0,0,0,0|2,0,0]=4 15760 B11R0.46 CCOCCC(=O)CCC(C)O 1458a_100000749530_100012276601 [0,2,0,0,0,0|2,0,0]=4 15761 B11R0.46 CCOCCN(C)CCC(C)C 2230a_100000742789_100011215890 [0,2,0,0,0,0|2,0,0]=4 15762 B11R0.46 CCOCCN(C)CCC(C)C 269982a_100000742789_100011215890 [0,2,0,0,0,0|2,0,0]=4 15763 B11R0.46 CCOCSC(C)CCC(C)C 62a_100000739092_100011261404 [0,2,0,0,0,0|1,1,0]=4 15764 B11R0.46 CCOCSC(C)CCC(C)C 62a_100011261404_100000739092 [0,2,0,0,0,0|1,1,0]=4 15765 B11R0.46 CCSCCC(=O)CCC(C)C 1458a_100000181311_100000757381 [0,2,0,0,0,0|2,0,0]=4 15766 B11R0.46 CCSCCC(=O)CCC(C)C 1458a_100000230768_100000210312 [0,2,0,0,0,0|2,0,0]=4 15767 B11R0.46 CCSCCC(=O)CCC(C)O 1458a_100000230768_100012276601 [0,2,0,0,0,0|2,0,0]=4 15768 B11R0.46 CCSCCN(C)CCC(C)C 2230a_100000742789_100000757381 [0,2,0,0,0,0|2,0,0]=4 15769 B11R0.46 CCSCCN(C)CCC(C)C 269982a_100000742789_100000757381 [0,2,0,0,0,0|2,0,0]=4 15770 B11R0.46 COCCCC(=O)CCC(C)C 1458a_100000181311_100000740836 [0,2,0,0,0,0|2,0,0]=4 15771 B11R0.46 COCCCC(=O)CCC(C)C 1458a_100000741012_100000210312 [0,2,0,0,0,0|2,0,0]=4 15772 B11R0.46 COCCCC(=O)CCC(C)O 1458a_100000741012_100012276601 [0,2,0,0,0,0|2,0,0]=4 15773 B11R0.46 COCCCN(C)CCC(C)C 2230a_100000224831_100000210312 [0,2,0,0,0,0|2,0,0]=4 15774 B11R0.46 COCCCN(C)CCC(C)C 2230a_100000742789_100000740836 [0,2,0,0,0,0|2,0,0]=4 15775 B11R0.46 COCCCN(C)CCC(C)C 269982a_100000224831_100000210312 [0,2,0,0,0,0|2,0,0]=4 15776 B11R0.46 COCCCN(C)CCC(C)C 269982a_100000742789_100000740836 [0,2,0,0,0,0|2,0,0]=4 15777 B11R0.46 COCCCN(C)CCC(C)O 2230a_100000224831_100012276601 [0,2,0,0,0,0|2,0,0]=4 15778 B11R0.46 COCCCN(C)CCC(C)O 269982a_100000224831_100012276601 [0,2,0,0,0,0|2,0,0]=4 15779 B11R0.46 COCCNC(C)CCC(C)C 2230a_100000209980_100011261404 [0,2,0,0,0,0|2,0,0]=4 15780 B11R0.46 COCCNC(C)CCC(C)C 2230a_100138410893_100011201679 [0,2,0,0,0,0|2,0,0]=4 15781 B11R0.46 COCCNC(C)CCC(C)C 270004a_100000209980_100000210476 [0,2,0,0,0,0|2,0,0]=4 15782 B11R0.46 COCCOC(C)CCC(C)C 34a_100000210237_100011261404 [0,2,0,0,0,0|1,0,0]=3 15783 B11R0.46 COCCOC(C)CCC(C)C 34a_100011215350_100011201679 [0,2,0,0,0,0|1,0,0]=3 15784 B11R0.46 COCCOC(C)CCC(C)C 7a_100011215350_100000233755 [0,2,0,0,0,0|1,0,0]=3 15785 B11R0.46 COCCSC(C)CCC(C)C 62a_100000233755_100011261404 [0,2,0,0,0,0|1,1,0]=4 15786 B11R0.46 COCCSC(C)CCC(C)C 62a_100011261404_100000233755 [0,2,0,0,0,0|1,1,0]=4 15787 B11R0.46 CSCCCC(=O)CCC(C)C 1458a_100000173376_100000210312 [0,2,0,0,0,0|2,0,0]=4 15788 B11R0.46 CSCCCC(=O)CCC(C)O 1458a_100000173376_100012276601 [0,2,0,0,0,0|2,0,0]=4 15789 B11R0.46 CSCCNC(C)CCC(C)C 2230a_100020590264_100011261404 [0,2,0,0,0,0|2,0,0]=4 15790 B11R0.46 CSCCNC(C)CCC(C)C 2230a_100138410893_100000751147 [0,2,0,0,0,0|2,0,0]=4 15791 B11R0.46 CSCCNC(C)CCC(C)C 270004a_100020590264_100000210476 [0,2,0,0,0,0|2,0,0]=4 15792 B11R0.46 CSCCOC(C)CCC(C)C 34a_100000230434_100011261404 [0,2,0,0,0,0|1,0,0]=3 15793 B11R0.46 CSCCOC(C)CCC(C)C 34a_100011215350_100000212216 [0,2,0,0,0,0|1,0,0]=3 15794 B11R0.46 CSCCOC(C)CCC(C)C 7a_100011215350_100000212216 [0,2,0,0,0,0|1,0,0]=3 15795 B11R0.46 CSCCSC(C)CCC(C)C 62a_100000212216_100011261404 [0,2,0,0,0,0|1,1,0]=4 15796 B11R0.46 CSCCSC(C)CCC(C)C 62a_100011261404_100000751147 [0,2,0,0,0,0|1,1,0]=4 15797 B11R0.111 C=C(C)CCNCCC(C)CC 2230a_100020591266_100000730704 [0,2,0,0,0,0|1,0,1]=4 15798 B11R0.111 C=C(C)CCOCCC(C)CC 7a_100011215188_100000730704 [0,2,0,0,0,0|0,0,1]=3 15799 B11R0.111 C=C(C)CCOCCC(C)OC 7a_100000764861_100000730704 [0,2,0,0,0,0|1,0,1]=4 15800 B11R0.111 C=CC(C)COCCCC(C)C 34a_100011215527_100011214892 [0,2,0,0,0,0|0,0,2]=4 15801 B11R0.111 C=CC(C)COCCCC(C)C 7a_100011215527_100011214892 [0,2,0,0,0,0|0,0,2]=4 15802 B11R0.111 C=CC(C)COCCCC(C)O 34a_100011215527_200000718107 [0,2,0,0,0,0|0,0,2]=4 15803 B11R0.111 C=CC(C)COCCCC(C)O 7a_100011215527_200000718107 [0,2,0,0,0,0|0,0,2]=4 15804 B11R0.111 C=CC(O)COCCCC(C)C 34a_100000210774_100000730141 [0,2,0,0,0,0|0,0,2]=4 15805 B11R0.111 C=CC(O)COCCCC(C)C 7a_100000210774_100000730141 [0,2,0,0,0,0|0,0,2]=4 15806 B11R0.111 C=C[C@H](N)COCCCC(C)C 34a_100016989147_100011214892 [0,2,0,0,0,0|0,0,2]=4 15807 B11R0.111 C=C[C@H](N)COCCCC(C)O 34a_100016989147_200000718107 [0,2,0,0,0,0|0,0,2]=4 15808 B11R0.111 CC(=O)CCCOCC(C)CN 34a_100000744482_100000685027 [0,2,0,0,0,0|1,0,1]=4 15809 B11R0.111 CC(=O)CCCOCC(Cl)CCl 34a_100000033668_100000685027 [0,2,0,0,0,0|1,0,1]=4 15810 B11R0.111 CC(=O)CCCOCC(O)CO 34a_100000759063_100011219619 [0,2,0,0,0,0|1,0,1]=4 15811 B11R0.111 CC(=O)CCCOCC(O)CO 7a_100000759063_100011219619 [0,2,0,0,0,0|1,0,1]=4 15812 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 34a_100000759063_100000059175 [0,2,0,0,0,0|1,0,1]=4 15813 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 7a_100000759063_100000059175 [0,2,0,0,0,0|1,0,1]=4 15814 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 34a_100000759063_100015614560 [0,2,0,0,0,0|1,0,1]=4 15815 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 7a_100000759063_100015614560 [0,2,0,0,0,0|1,0,1]=4 15816 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 34a_100000759063_100009815848 [0,2,0,0,0,0|1,0,1]=4 15817 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 7a_100000759063_100009815848 [0,2,0,0,0,0|1,0,1]=4 15818 B11R0.111 CC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000685027 [0,2,0,0,0,0|1,0,1]=4 15819 B11R0.111 CC(C)CCCNCC(C)CO 34a_100000744482_100011214892 [0,2,0,0,0,0|2,0,0]=4 15820 B11R0.111 CC(C)CCCNCC(O)CO 2230a_200000737386_100011219619 [0,2,0,0,0,0|2,0,0]=4 15821 B11R0.111 CC(C)CCCNCC(O)CO 34a_200000737386_100011219619 [0,2,0,0,0,0|2,0,0]=4 15822 B11R0.111 CC(C)CCCNC[C@@H](C)CO 2230a_200000737386_100000059175 [0,2,0,0,0,0|2,0,0]=4 15823 B11R0.111 CC(C)CCCNC[C@@H](C)CO 34a_200000737386_100000059175 [0,2,0,0,0,0|2,0,0]=4 15824 B11R0.111 CC(C)CCCNC[C@@H](F)CO 34a_100015665980_100011214892 [0,2,0,0,0,0|2,0,0]=4 15825 B11R0.111 CC(C)CCCNC[C@@H](O)CF 2230a_200000737386_100015614560 [0,2,0,0,0,0|2,0,0]=4 15826 B11R0.111 CC(C)CCCNC[C@@H](O)CF 34a_200000737386_100015614560 [0,2,0,0,0,0|2,0,0]=4 15827 B11R0.111 CC(C)CCCNC[C@@H](O)CO 2230a_200000737386_100009815848 [0,2,0,0,0,0|2,0,0]=4 15828 B11R0.111 CC(C)CCCNC[C@@H](O)CO 34a_200000737386_100009815848 [0,2,0,0,0,0|2,0,0]=4 15829 B11R0.111 CC(C)CCCNC[C@H](O)CO 2230a_100020644852_100011214892 [0,2,0,0,0,0|2,0,0]=4 15830 B11R0.111 CC(C)CCCOCC(C)CN 34a_100000744482_100011214892 [0,2,0,0,0,0|1,0,0]=3 15831 B11R0.111 CC(C)CCCOCC(Cl)CCl 34a_100000033668_100011214892 [0,2,0,0,0,0|1,0,0]=3 15832 B11R0.111 CC(C)CCCOCC(O)CO 34a_100000210774_100011219619 [0,2,0,0,0,0|1,0,0]=3 15833 B11R0.111 CC(C)CCCOCC(O)CO 7a_100000210774_100011219619 [0,2,0,0,0,0|1,0,0]=3 15834 B11R0.111 CC(C)CCCOC[C@@H](C)CO 34a_100000210774_100000059175 [0,2,0,0,0,0|1,0,0]=3 15835 B11R0.111 CC(C)CCCOC[C@@H](C)CO 7a_100000210774_100000059175 [0,2,0,0,0,0|1,0,0]=3 15836 B11R0.111 CC(C)CCCOC[C@@H](O)CF 34a_100000210774_100015614560 [0,2,0,0,0,0|1,0,0]=3 15837 B11R0.111 CC(C)CCCOC[C@@H](O)CF 7a_100000210774_100015614560 [0,2,0,0,0,0|1,0,0]=3 15838 B11R0.111 CC(C)CCCOC[C@@H](O)CO 34a_100000210774_100009815848 [0,2,0,0,0,0|1,0,0]=3 15839 B11R0.111 CC(C)CCCOC[C@@H](O)CO 7a_100000210774_100009815848 [0,2,0,0,0,0|1,0,0]=3 15840 B11R0.111 CC(C)CCCOC[C@H](F)CN 34a_100015665980_100011214892 [0,2,0,0,0,0|1,0,0]=3 15841 B11R0.111 CC(C)CCCSCC(O)CO 62a_100011214892_100011219619 [0,2,0,0,0,0|1,1,0]=4 15842 B11R0.111 CC(C)CCCSCC(O)CO 62a_100011219619_100011214892 [0,2,0,0,0,0|1,1,0]=4 15843 B11R0.111 CC(C)CCCSC[C@@H](C)CO 62a_100000059175_100011214892 [0,2,0,0,0,0|1,1,0]=4 15844 B11R0.111 CC(C)CCCSC[C@@H](C)CO 62a_100011214892_100000059175 [0,2,0,0,0,0|1,1,0]=4 15845 B11R0.111 CC(C)CCCSC[C@@H](O)CF 62a_100011214892_100015614560 [0,2,0,0,0,0|1,1,0]=4 15846 B11R0.111 CC(C)CCCSC[C@@H](O)CF 62a_100015614560_100011214892 [0,2,0,0,0,0|1,1,0]=4 15847 B11R0.111 CC(C)CCCSC[C@@H](O)CO 62a_100009815848_100011214892 [0,2,0,0,0,0|1,1,0]=4 15848 B11R0.111 CC(C)CCCSC[C@@H](O)CO 62a_100011214892_100009815848 [0,2,0,0,0,0|1,1,0]=4 15849 B11R0.111 CC(C)CCNCCC(C)CO 2230a_106354213184_100000210312 [0,2,0,0,0,0|2,0,0]=4 15850 B11R0.111 CC(C)CCNCCC(C)CO 269862a_106354213184_100000185833 [0,2,0,0,0,0|2,0,0]=4 15851 B11R0.111 CC(C)CCNCCC(C)CO 34a_106354213184_100000210312 [0,2,0,0,0,0|2,0,0]=4 15852 B11R0.111 CC(C)NCCOCC(O)CO 34a_100000224655_100011219619 [0,2,0,0,0,0|2,0,0]=4 15853 B11R0.111 CC(C)NCCOC[C@@H](C)CO 34a_100000224655_100000059175 [0,2,0,0,0,0|2,0,0]=4 15854 B11R0.111 CC(C)NCCOC[C@@H](O)CF 34a_100000224655_100015614560 [0,2,0,0,0,0|2,0,0]=4 15855 B11R0.111 CC(C)NCCOC[C@@H](O)CO 34a_100000224655_100009815848 [0,2,0,0,0,0|2,0,0]=4 15856 B11R0.111 CC(C)OCCOCC(Cl)CCl 34a_100000033668_100000211751 [0,2,0,0,0,0|2,0,0]=4 15857 B11R0.111 CC(C)OCCOCC(O)CO 34a_100000211219_100011219619 [0,2,0,0,0,0|2,0,0]=4 15858 B11R0.111 CC(C)OCCOCC(O)CO 7a_100000211219_100011219619 [0,2,0,0,0,0|2,0,0]=4 15859 B11R0.111 CC(C)OCCOC[C@@H](C)CO 34a_100000211219_100000059175 [0,2,0,0,0,0|2,0,0]=4 15860 B11R0.111 CC(C)OCCOC[C@@H](C)CO 7a_100000211219_100000059175 [0,2,0,0,0,0|2,0,0]=4 15861 B11R0.111 CC(C)OCCOC[C@@H](O)CF 34a_100000211219_100015614560 [0,2,0,0,0,0|2,0,0]=4 15862 B11R0.111 CC(C)OCCOC[C@@H](O)CF 7a_100000211219_100015614560 [0,2,0,0,0,0|2,0,0]=4 15863 B11R0.111 CC(C)OCCOC[C@@H](O)CO 34a_100000211219_100009815848 [0,2,0,0,0,0|2,0,0]=4 15864 B11R0.111 CC(C)OCCOC[C@@H](O)CO 7a_100000211219_100009815848 [0,2,0,0,0,0|2,0,0]=4 15865 B11R0.111 CC(C)OCCOC[C@H](F)CN 34a_100015665980_100000211751 [0,2,0,0,0,0|2,0,0]=4 15866 B11R0.111 CC(C)SCCOCC(Cl)CCl 34a_100000033668_100000730970 [0,2,0,0,0,0|2,0,0]=4 15867 B11R0.111 CC(C)SCCOCC(O)CO 34a_200011212901_100011219619 [0,2,0,0,0,0|2,0,0]=4 15868 B11R0.111 CC(C)SCCOCC(O)CO 7a_200011212901_100011219619 [0,2,0,0,0,0|2,0,0]=4 15869 B11R0.111 CC(C)SCCOC[C@@H](C)CO 34a_200011212901_100000059175 [0,2,0,0,0,0|2,0,0]=4 15870 B11R0.111 CC(C)SCCOC[C@@H](C)CO 7a_200011212901_100000059175 [0,2,0,0,0,0|2,0,0]=4 15871 B11R0.111 CC(C)SCCOC[C@@H](O)CF 34a_200011212901_100015614560 [0,2,0,0,0,0|2,0,0]=4 15872 B11R0.111 CC(C)SCCOC[C@@H](O)CF 7a_200011212901_100015614560 [0,2,0,0,0,0|2,0,0]=4 15873 B11R0.111 CC(C)SCCOC[C@@H](O)CO 34a_200011212901_100009815848 [0,2,0,0,0,0|2,0,0]=4 15874 B11R0.111 CC(C)SCCOC[C@@H](O)CO 7a_200011212901_100009815848 [0,2,0,0,0,0|2,0,0]=4 15875 B11R0.111 CC(C)SCCOC[C@H](F)CN 34a_100015665980_100000730970 [0,2,0,0,0,0|2,0,0]=4 15876 B11R0.111 CC(CN)COCCOC(C)C 34a_100000744482_100000211751 [0,2,0,0,0,0|2,0,0]=4 15877 B11R0.111 CC(CN)COCCSC(C)C 34a_100000744482_100000730970 [0,2,0,0,0,0|2,0,0]=4 15878 B11R0.111 CC(O)CCCNCC(C)CO 34a_100000744482_200000718107 [0,2,0,0,0,0|2,0,0]=4 15879 B11R0.111 CC(O)CCCNC[C@@H](F)CO 34a_100015665980_200000718107 [0,2,0,0,0,0|2,0,0]=4 15880 B11R0.111 CC(O)CCCNC[C@H](O)CO 2230a_100020644852_200000718107 [0,2,0,0,0,0|2,0,0]=4 15881 B11R0.111 CC(O)CCCOCC(C)CN 34a_100000744482_200000718107 [0,2,0,0,0,0|1,0,0]=3 15882 B11R0.111 CC(O)CCCOCC(Cl)CCl 34a_100000033668_200000718107 [0,2,0,0,0,0|1,0,0]=3 15883 B11R0.111 CC(O)CCCOC[C@H](F)CN 34a_100015665980_200000718107 [0,2,0,0,0,0|1,0,0]=3 15884 B11R0.111 CC(O)CCCSCC(O)CO 62a_100011219619_200000718107 [0,2,0,0,0,0|1,1,0]=4 15885 B11R0.111 CC(O)CCCSCC(O)CO 62a_200000718107_100011219619 [0,2,0,0,0,0|1,1,0]=4 15886 B11R0.111 CC(O)CCCSC[C@@H](C)CO 62a_100000059175_200000718107 [0,2,0,0,0,0|1,1,0]=4 15887 B11R0.111 CC(O)CCCSC[C@@H](C)CO 62a_200000718107_100000059175 [0,2,0,0,0,0|1,1,0]=4 15888 B11R0.111 CC(O)CCCSC[C@@H](O)CF 62a_100015614560_200000718107 [0,2,0,0,0,0|1,1,0]=4 15889 B11R0.111 CC(O)CCCSC[C@@H](O)CF 62a_200000718107_100015614560 [0,2,0,0,0,0|1,1,0]=4 15890 B11R0.111 CC(O)CCCSC[C@@H](O)CO 62a_100009815848_200000718107 [0,2,0,0,0,0|1,1,0]=4 15891 B11R0.111 CC(O)CCCSC[C@@H](O)CO 62a_200000718107_100009815848 [0,2,0,0,0,0|1,1,0]=4 15892 B11R0.111 CC(O)CCNCCC(C)CO 2230a_106354213184_100012276601 [0,2,0,0,0,0|2,0,0]=4 15893 B11R0.111 CC(O)CCNCCC(C)CO 34a_106354213184_100012276601 [0,2,0,0,0,0|2,0,0]=4 15894 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000210414_100000210682 [0,2,0,0,0,0|1,0,1]=4 15895 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210202 [0,2,0,0,0,0|1,0,1]=4 15896 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [0,2,0,0,0,0|0,0,2]=4 15897 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [0,2,0,0,0,0|0,0,2]=4 15898 B11R0.111 CCC(=O)COCCCC(C)C 34a_100000725409_100011214892 [0,2,0,0,0,0|0,0,1]=3 15899 B11R0.111 CCC(=O)COCCCC(C)C 7a_100000210774_100000747405 [0,2,0,0,0,0|0,0,1]=3 15900 B11R0.111 CCC(=O)COCCCC(C)O 34a_100000725409_200000718107 [0,2,0,0,0,0|0,0,1]=3 15901 B11R0.111 CCC(=O)COCCOC(C)C 34a_100000725409_100000211751 [0,2,0,0,0,0|1,0,1]=4 15902 B11R0.111 CCC(=O)COCCOC(C)C 7a_100000211219_100000747405 [0,2,0,0,0,0|1,0,1]=4 15903 B11R0.111 CCC(=O)COCCSC(C)C 34a_100000725409_100000730970 [0,2,0,0,0,0|1,0,1]=4 15904 B11R0.111 CCC(=O)COCCSC(C)C 7a_200011212901_100000747405 [0,2,0,0,0,0|1,0,1]=4 15905 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100000747405_100011214892 [0,2,0,0,0,0|0,1,1]=4 15906 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100011214892_100000747405 [0,2,0,0,0,0|0,1,1]=4 15907 B11R0.111 CCC(=O)CSCCCC(C)O 62a_100000747405_200000718107 [0,2,0,0,0,0|0,1,1]=4 15908 B11R0.111 CCC(=O)CSCCCC(C)O 62a_200000718107_100000747405 [0,2,0,0,0,0|0,1,1]=4 15909 B11R0.111 CCC(C)CCCOCC(C)C 7a_100011216074_100000210760 [0,2,0,0,0,0|2,0,0]=4 15910 B11R0.111 CCC(C)CCCOCC(C)O 7a_100011216074_100011218427 [0,2,0,0,0,0|2,0,0]=4 15911 B11R0.111 CCC(C)CCCOC[C@@H](C)O 7a_100011216074_100009817552 [0,2,0,0,0,0|2,0,0]=4 15912 B11R0.111 CCC(C)CCNCCC(C)C 2230a_100020591266_100000210312 [0,2,0,0,0,0|1,0,0]=3 15913 B11R0.111 CCC(C)CCNCCC(C)C 269862a_100020591266_100000185833 [0,2,0,0,0,0|1,0,0]=3 15914 B11R0.111 CCC(C)CCNCCC(C)O 2230a_100020591266_100012276601 [0,2,0,0,0,0|1,0,0]=3 15915 B11R0.111 CCC(C)CCNCOC(C)C 2230a_100020591266_100000709892 [0,2,0,0,0,0|2,0,0]=4 15916 B11R0.111 CCC(C)CCOCC=C(C)C 7a_100011215188_100000761012 [0,2,0,0,0,0|0,0,2]=4 15917 B11R0.111 CCC(C)CCOCCC(=O)C 7a_100011215188_100000053229 [0,2,0,0,0,0|0,0,1]=3 15918 B11R0.111 CCC(C)CCOCCC(=O)N 7a_100011215188_100000744528 [0,2,0,0,0,0|1,0,1]=4 15919 B11R0.111 CCC(C)CCOCCC(C)C 7a_100011215188_100000210626 [0,2,0,0,0,0|0,0,0]=2 15920 B11R0.111 CCC(C)CCOCCC(C)O 7a_100011215188_100012276601 [0,2,0,0,0,0|0,0,0]=2 15921 B11R0.111 CCC(C)CCOCCN(C)C 7a_100011215188_100000755713 [0,2,0,0,0,0|1,0,0]=3 15922 B11R0.111 CCC(C)CNCCCC(C)C 2230a_100020588543_100011214892 [0,2,0,0,0,0|1,0,0]=3 15923 B11R0.111 CCC(C)CNCCCC(C)C 2230a_200000737386_100000748023 [0,2,0,0,0,0|1,0,0]=3 15924 B11R0.111 CCC(C)CNCCCC(C)C 270004a_200000737386_100000243153 [0,2,0,0,0,0|1,0,0]=3 15925 B11R0.111 CCC(C)CNCCCC(C)C 34a_200000737386_100000748023 [0,2,0,0,0,0|1,0,0]=3 15926 B11R0.111 CCC(C)CNCCCC(C)O 2230a_100020588543_200000718107 [0,2,0,0,0,0|1,0,0]=3 15927 B11R0.111 CCC(C)CNCCCN(C)C 270004a_102531767803_100000243153 [0,2,0,0,0,0|2,0,0]=4 15928 B11R0.111 CCC(C)CNCCCS(=O)C 2230a_200000753449_100000748023 [0,2,0,0,0,0|2,0,0]=4 15929 B11R0.111 CCC(C)CNCCCS(=O)C 270004a_200000753449_100000243153 [0,2,0,0,0,0|2,0,0]=4 15930 B11R0.111 CCC(C)CNCCOC(C)C 2230a_100000701111_100000748023 [0,2,0,0,0,0|2,0,0]=4 15931 B11R0.111 CCC(C)CNCCOC(C)C 2230a_100020588543_100000211751 [0,2,0,0,0,0|2,0,0]=4 15932 B11R0.111 CCC(C)CNCCOC(C)C 270004a_100000701111_100000243153 [0,2,0,0,0,0|2,0,0]=4 15933 B11R0.111 CCC(C)CNCCOC(C)C 34a_100000701111_100000748023 [0,2,0,0,0,0|2,0,0]=4 15934 B11R0.111 CCC(C)CNCCSC(C)C 2230a_100000731138_100000748023 [0,2,0,0,0,0|2,0,0]=4 15935 B11R0.111 CCC(C)CNCCSC(C)C 2230a_100020588543_100000730970 [0,2,0,0,0,0|2,0,0]=4 15936 B11R0.111 CCC(C)CNCCSC(C)C 270004a_100000731138_100000243153 [0,2,0,0,0,0|2,0,0]=4 15937 B11R0.111 CCC(C)CNCCSC(C)C 34a_100000731138_100000748023 [0,2,0,0,0,0|2,0,0]=4 15938 B11R0.111 CCC(C)COCCCC(=O)C 34a_100000759063_100000748023 [0,2,0,0,0,0|0,0,1]=3 15939 B11R0.111 CCC(C)COCCCC(=O)C 7a_100000759063_100000748023 [0,2,0,0,0,0|0,0,1]=3 15940 B11R0.111 CCC(C)COCCCC(C)C 34a_100000210774_100000748023 [0,2,0,0,0,0|0,0,0]=2 15941 B11R0.111 CCC(C)COCCCC(C)C 7a_100000210774_100000748023 [0,2,0,0,0,0|0,0,0]=2 15942 B11R0.111 CCC(C)COCCC[N+](=O)[O-] 34a_200000037920_100000748023 [0,2,0,0,0,0|2,0,0]=4 15943 B11R0.111 CCC(C)COCCNC(=O)C 34a_100000158858_100000748023 [0,2,0,0,0,0|1,0,1]=4 15944 B11R0.111 CCC(C)COCCNC(C)C 34a_100000224655_100000748023 [0,2,0,0,0,0|1,0,0]=3 15945 B11R0.111 CCC(C)COCCOC(C)C 34a_100000211219_100000748023 [0,2,0,0,0,0|1,0,0]=3 15946 B11R0.111 CCC(C)COCCOC(C)C 7a_100000211219_100000748023 [0,2,0,0,0,0|1,0,0]=3 15947 B11R0.111 CCC(C)COCCSC(C)C 34a_200011212901_100000748023 [0,2,0,0,0,0|1,0,0]=3 15948 B11R0.111 CCC(C)COCCSC(C)C 7a_200011212901_100000748023 [0,2,0,0,0,0|1,0,0]=3 15949 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100000748023_100011215641 [0,2,0,0,0,0|0,1,1]=4 15950 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100011215641_100000748023 [0,2,0,0,0,0|0,1,1]=4 15951 B11R0.111 CCC(C)CSCCCC(C)C 62a_100000748023_100011214892 [0,2,0,0,0,0|0,1,0]=3 15952 B11R0.111 CCC(C)CSCCCC(C)C 62a_100011214892_100000748023 [0,2,0,0,0,0|0,1,0]=3 15953 B11R0.111 CCC(C)CSCCCC(C)O 62a_100000748023_200000718107 [0,2,0,0,0,0|0,1,0]=3 15954 B11R0.111 CCC(C)CSCCCC(C)O 62a_200000718107_100000748023 [0,2,0,0,0,0|0,1,0]=3 15955 B11R0.111 CCC(C)CSCCCN(C)C 62a_100000748023_100000757444 [0,2,0,0,0,0|1,1,0]=4 15956 B11R0.111 CCC(C)CSCCOC(C)C 62a_100000211751_100000748023 [0,2,0,0,0,0|1,1,0]=4 15957 B11R0.111 CCC(C)CSCCOC(C)C 62a_100000748023_100000211751 [0,2,0,0,0,0|1,1,0]=4 15958 B11R0.111 CCC(C)CSCCSC(C)C 62a_100000730970_100000748023 [0,2,0,0,0,0|1,1,0]=4 15959 B11R0.111 CCC(C)CSCCSC(C)C 62a_100000748023_100000730970 [0,2,0,0,0,0|1,1,0]=4 15960 B11R0.111 CCC(C)NCCCCC(C)C 2230a_100000209981_100011216152 [0,2,0,0,0,0|2,0,0]=4 15961 B11R0.111 CCC(C)OCCCCC(C)C 34a_100011214890_100011215416 [0,2,0,0,0,0|2,0,0]=4 15962 B11R0.111 CCC(C)OCCCCC(C)C 7a_100000210228_100011216152 [0,2,0,0,0,0|2,0,0]=4 15963 B11R0.111 CCC(C)OCCCCC(C)C 7a_100011214890_100000758301 [0,2,0,0,0,0|2,0,0]=4 15964 B11R0.111 CCC(C)SCCCCC(C)C 62a_100000758301_100011216152 [0,2,0,0,0,0|2,0,0]=4 15965 B11R0.111 CCC(C)SCCCCC(C)C 62a_100011216152_100000758301 [0,2,0,0,0,0|2,0,0]=4 15966 B11R0.111 CCC(O)CNCCCC(C)C 2230a_100011218483_100011214892 [0,2,0,0,0,0|1,0,0]=3 15967 B11R0.111 CCC(O)CNCCCC(C)C 2230a_200000737386_100011218378 [0,2,0,0,0,0|1,0,0]=3 15968 B11R0.111 CCC(O)CNCCCC(C)C 34a_200000737386_100011218378 [0,2,0,0,0,0|1,0,0]=3 15969 B11R0.111 CCC(O)CNCCCC(C)O 2230a_100011218483_200000718107 [0,2,0,0,0,0|1,0,0]=3 15970 B11R0.111 CCC(O)CNCCCS(=O)C 2230a_200000753449_100011218378 [0,2,0,0,0,0|2,0,0]=4 15971 B11R0.111 CCC(O)CNCCOC(C)C 2230a_100000701111_100011218378 [0,2,0,0,0,0|2,0,0]=4 15972 B11R0.111 CCC(O)CNCCOC(C)C 2230a_100011218483_100000211751 [0,2,0,0,0,0|2,0,0]=4 15973 B11R0.111 CCC(O)CNCCOC(C)C 34a_100000701111_100011218378 [0,2,0,0,0,0|2,0,0]=4 15974 B11R0.111 CCC(O)CNCCSC(C)C 2230a_100000731138_100011218378 [0,2,0,0,0,0|2,0,0]=4 15975 B11R0.111 CCC(O)CNCCSC(C)C 2230a_100011218483_100000730970 [0,2,0,0,0,0|2,0,0]=4 15976 B11R0.111 CCC(O)CNCCSC(C)C 34a_100000731138_100011218378 [0,2,0,0,0,0|2,0,0]=4 15977 B11R0.111 CCC(O)COCCCC(=O)C 34a_100000759063_100011218378 [0,2,0,0,0,0|0,0,1]=3 15978 B11R0.111 CCC(O)COCCCC(=O)C 7a_100000759063_100011218378 [0,2,0,0,0,0|0,0,1]=3 15979 B11R0.111 CCC(O)COCCCC(C)C 34a_100000210774_100011218378 [0,2,0,0,0,0|0,0,0]=2 15980 B11R0.111 CCC(O)COCCCC(C)C 7a_100000210774_100011218378 [0,2,0,0,0,0|0,0,0]=2 15981 B11R0.111 CCC(O)COCCC[N+](=O)[O-] 34a_200000037920_100011218378 [0,2,0,0,0,0|2,0,0]=4 15982 B11R0.111 CCC(O)COCCNC(=O)C 34a_100000158858_100011218378 [0,2,0,0,0,0|1,0,1]=4 15983 B11R0.111 CCC(O)COCCNC(C)C 34a_100000224655_100011218378 [0,2,0,0,0,0|1,0,0]=3 15984 B11R0.111 CCC(O)COCCOC(C)C 34a_100000211219_100011218378 [0,2,0,0,0,0|1,0,0]=3 15985 B11R0.111 CCC(O)COCCOC(C)C 7a_100000211219_100011218378 [0,2,0,0,0,0|1,0,0]=3 15986 B11R0.111 CCC(O)COCCSC(C)C 34a_200011212901_100011218378 [0,2,0,0,0,0|1,0,0]=3 15987 B11R0.111 CCC(O)COCCSC(C)C 7a_200011212901_100011218378 [0,2,0,0,0,0|1,0,0]=3 15988 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011215641_100011218378 [0,2,0,0,0,0|0,1,1]=4 15989 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011218378_100011215641 [0,2,0,0,0,0|0,1,1]=4 15990 B11R0.111 CCC(O)CSCCCC(C)C 62a_100011214892_100011218378 [0,2,0,0,0,0|0,1,0]=3 15991 B11R0.111 CCC(O)CSCCCC(C)C 62a_100011218378_100011214892 [0,2,0,0,0,0|0,1,0]=3 15992 B11R0.111 CCC(O)CSCCCC(C)O 62a_100011218378_200000718107 [0,2,0,0,0,0|0,1,0]=3 15993 B11R0.111 CCC(O)CSCCCC(C)O 62a_200000718107_100011218378 [0,2,0,0,0,0|0,1,0]=3 15994 B11R0.111 CCC(O)CSCCCN(C)C 62a_100011218378_100000757444 [0,2,0,0,0,0|1,1,0]=4 15995 B11R0.111 CCC(O)CSCCOC(C)C 62a_100000211751_100011218378 [0,2,0,0,0,0|1,1,0]=4 15996 B11R0.111 CCC(O)CSCCOC(C)C 62a_100011218378_100000211751 [0,2,0,0,0,0|1,1,0]=4 15997 B11R0.111 CCC(O)CSCCSC(C)C 62a_100000730970_100011218378 [0,2,0,0,0,0|1,1,0]=4 15998 B11R0.111 CCC(O)CSCCSC(C)C 62a_100011218378_100000730970 [0,2,0,0,0,0|1,1,0]=4 15999 B11R0.111 CCN(C)CCCCCC(C)C 2230a_100000225621_100000210682 [0,2,0,0,0,0|2,0,0]=4 16000 B11R0.111 CCN(C)CCCCCC(C)C 269982a_100000225621_100000210682 [0,2,0,0,0,0|2,0,0]=4 16001 B11R0.111 CC[C@H](C)CNCCCC(C)C 2230a_200000737386_100009816398 [0,2,0,0,0,0|1,0,0]=3 16002 B11R0.111 CC[C@H](C)CNCCCC(C)C 34a_200000737386_100009816398 [0,2,0,0,0,0|1,0,0]=3 16003 B11R0.111 CC[C@H](C)CNCCCS(=O)C 2230a_200000753449_100009816398 [0,2,0,0,0,0|2,0,0]=4 16004 B11R0.111 CC[C@H](C)CNCCOC(C)C 2230a_100000701111_100009816398 [0,2,0,0,0,0|2,0,0]=4 16005 B11R0.111 CC[C@H](C)CNCCOC(C)C 34a_100000701111_100009816398 [0,2,0,0,0,0|2,0,0]=4 16006 B11R0.111 CC[C@H](C)CNCCSC(C)C 2230a_100000731138_100009816398 [0,2,0,0,0,0|2,0,0]=4 16007 B11R0.111 CC[C@H](C)CNCCSC(C)C 34a_100000731138_100009816398 [0,2,0,0,0,0|2,0,0]=4 16008 B11R0.111 CC[C@H](C)COCCC=C(C)C 7a_100009816381_100011217483 [0,2,0,0,0,0|0,0,2]=4 16009 B11R0.111 CC[C@H](C)COCCCC(=O)C 34a_100000759063_100009816398 [0,2,0,0,0,0|0,0,1]=3 16010 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100000759063_100009816398 [0,2,0,0,0,0|0,0,1]=3 16011 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100009816381_100011215641 [0,2,0,0,0,0|0,0,1]=3 16012 B11R0.111 CC[C@H](C)COCCCC(=O)N 7a_100009816381_100102525003 [0,2,0,0,0,0|1,0,1]=4 16013 B11R0.111 CC[C@H](C)COCCCC(C)C 34a_100000210774_100009816398 [0,2,0,0,0,0|0,0,0]=2 16014 B11R0.111 CC[C@H](C)COCCCC(C)C 7a_100000210774_100009816398 [0,2,0,0,0,0|0,0,0]=2 16015 B11R0.111 CC[C@H](C)COCCCC(C)C 7a_100009816381_100011214892 [0,2,0,0,0,0|0,0,0]=2 16016 B11R0.111 CC[C@H](C)COCCCC(C)O 7a_100009816381_200000718107 [0,2,0,0,0,0|0,0,0]=2 16017 B11R0.111 CC[C@H](C)COCCCN(C)C 7a_100009816381_100000757444 [0,2,0,0,0,0|1,0,0]=3 16018 B11R0.111 CC[C@H](C)COCCC[N+](=O)[O-] 34a_200000037920_100009816398 [0,2,0,0,0,0|2,0,0]=4 16019 B11R0.111 CC[C@H](C)COCCNC(=O)C 34a_100000158858_100009816398 [0,2,0,0,0,0|1,0,1]=4 16020 B11R0.111 CC[C@H](C)COCCNC(=O)C 7a_100009816381_100000189650 [0,2,0,0,0,0|1,0,1]=4 16021 B11R0.111 CC[C@H](C)COCCNC(C)C 34a_100000224655_100009816398 [0,2,0,0,0,0|1,0,0]=3 16022 B11R0.111 CC[C@H](C)COCCOC(=O)C 7a_100009816381_100009814007 [0,2,0,0,0,0|1,0,1]=4 16023 B11R0.111 CC[C@H](C)COCCOC(C)C 34a_100000211219_100009816398 [0,2,0,0,0,0|1,0,0]=3 16024 B11R0.111 CC[C@H](C)COCCOC(C)C 7a_100000211219_100009816398 [0,2,0,0,0,0|1,0,0]=3 16025 B11R0.111 CC[C@H](C)COCCOC(C)C 7a_100009816381_100000211751 [0,2,0,0,0,0|1,0,0]=3 16026 B11R0.111 CC[C@H](C)COCCSC(C)C 34a_200011212901_100009816398 [0,2,0,0,0,0|1,0,0]=3 16027 B11R0.111 CC[C@H](C)COCCSC(C)C 7a_100009816381_100000730970 [0,2,0,0,0,0|1,0,0]=3 16028 B11R0.111 CC[C@H](C)COCCSC(C)C 7a_200011212901_100009816398 [0,2,0,0,0,0|1,0,0]=3 16029 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100009816398_100011215641 [0,2,0,0,0,0|0,1,1]=4 16030 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100011215641_100009816398 [0,2,0,0,0,0|0,1,1]=4 16031 B11R0.111 CC[C@H](C)CSCCCC(C)C 62a_100009816398_100011214892 [0,2,0,0,0,0|0,1,0]=3 16032 B11R0.111 CC[C@H](C)CSCCCC(C)C 62a_100011214892_100009816398 [0,2,0,0,0,0|0,1,0]=3 16033 B11R0.111 CC[C@H](C)CSCCCC(C)O 62a_100009816398_200000718107 [0,2,0,0,0,0|0,1,0]=3 16034 B11R0.111 CC[C@H](C)CSCCCC(C)O 62a_200000718107_100009816398 [0,2,0,0,0,0|0,1,0]=3 16035 B11R0.111 CC[C@H](C)CSCCCN(C)C 62a_100009816398_100000757444 [0,2,0,0,0,0|1,1,0]=4 16036 B11R0.111 CC[C@H](C)CSCCOC(C)C 62a_100000211751_100009816398 [0,2,0,0,0,0|1,1,0]=4 16037 B11R0.111 CC[C@H](C)CSCCOC(C)C 62a_100009816398_100000211751 [0,2,0,0,0,0|1,1,0]=4 16038 B11R0.111 CC[C@H](C)CSCCSC(C)C 62a_100000730970_100009816398 [0,2,0,0,0,0|1,1,0]=4 16039 B11R0.111 CC[C@H](C)CSCCSC(C)C 62a_100009816398_100000730970 [0,2,0,0,0,0|1,1,0]=4 16040 B11R0.111 CNC(=O)CCOCCC(C)Br 34a_100009893172_100012179268 [0,2,0,0,0,0|1,0,1]=4 16041 B11R0.111 CNC(=O)CCOCCC(C)C 34a_100000210254_100012179268 [0,2,0,0,0,0|1,0,1]=4 16042 B11R0.111 CNC(=O)CCOCCC(C)C 34a_100000754576_100000210312 [0,2,0,0,0,0|1,0,1]=4 16043 B11R0.111 CNC(=O)CCOCCC(C)C 7a_100000210254_100000737683 [0,2,0,0,0,0|1,0,1]=4 16044 B11R0.111 CNC(=O)CCOCCC(C)O 34a_100000754576_100012276601 [0,2,0,0,0,0|1,0,1]=4 16045 B11R0.111 CNC(=O)CCOCC[C@@H](C)N 34a_100000706166_100012179268 [0,2,0,0,0,0|1,0,1]=4 16046 B11R0.111 CNC(=O)COCCCC(C)C 34a_100000210774_100000183359 [0,2,0,0,0,0|1,0,1]=4 16047 B11R0.111 CNC(=O)COCCCC(C)C 34a_100000750040_100011214892 [0,2,0,0,0,0|1,0,1]=4 16048 B11R0.111 CNC(=O)COCCCC(C)C 7a_100000210774_100000183359 [0,2,0,0,0,0|1,0,1]=4 16049 B11R0.111 CNC(=O)COCCCC(C)O 34a_100000750040_200000718107 [0,2,0,0,0,0|1,0,1]=4 16050 B11R0.111 COC(=O)CCOCCC(C)Br 34a_100009893172_100000742370 [0,2,0,0,0,0|1,0,1]=4 16051 B11R0.111 COC(=O)CCOCCC(C)C 34a_100000210254_100000742370 [0,2,0,0,0,0|1,0,1]=4 16052 B11R0.111 COC(=O)CCOCCC(C)C 7a_100000210254_100000204255 [0,2,0,0,0,0|1,0,1]=4 16053 B11R0.111 COC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000742370 [0,2,0,0,0,0|1,0,1]=4 16054 B11R0.111 COC(=O)COCCCC(C)C 34a_100000210774_100000747449 [0,2,0,0,0,0|1,0,1]=4 16055 B11R0.111 COC(=O)COCCCC(C)C 7a_100000210774_100000747449 [0,2,0,0,0,0|1,0,1]=4 16056 B11R0.111 COC(C)CCOCCC(=O)C 7a_100000764861_100000053229 [0,2,0,0,0,0|1,0,1]=4 16057 B11R0.111 COC(C)CCOCCC(C)C 7a_100000764861_100000210626 [0,2,0,0,0,0|1,0,0]=3 16058 B11R0.111 COC(C)CCOCCC(C)O 7a_100000764861_100012276601 [0,2,0,0,0,0|1,0,0]=3 16059 B11R0.111 COC(C)CCOCCN(C)C 7a_100000764861_100000755713 [0,2,0,0,0,0|2,0,0]=4 16060 B11R0.111 COC(C)COCCCC(=O)C 34a_100000690652_100000685027 [0,2,0,0,0,0|1,0,1]=4 16061 B11R0.111 COC(C)COCCCC(C)C 34a_100000690652_100011214892 [0,2,0,0,0,0|1,0,0]=3 16062 B11R0.111 COC(C)COCCCC(C)O 34a_100000690652_200000718107 [0,2,0,0,0,0|1,0,0]=3 16063 B11R0.111 COC(C)COCCOC(C)C 34a_100000690652_100000211751 [0,2,0,0,0,0|2,0,0]=4 16064 B11R0.111 COC(C)COCCSC(C)C 34a_100000690652_100000730970 [0,2,0,0,0,0|2,0,0]=4 16065 B11R0.111 CO[C@H](C)CNCCCC(C)C 2230a_100020591295_100011214892 [0,2,0,0,0,0|2,0,0]=4 16066 B11R0.111 CO[C@H](C)CNCCCC(C)O 2230a_100020591295_200000718107 [0,2,0,0,0,0|2,0,0]=4 16067 B11R0.147 C=C(Br)CCOC(C)CCCC 34a_100009813270_200011215066 [0,2,0,0,0,0|0,0,2]=4 16068 B11R0.147 C=C(C)CCNC(C)CCCC 2230a_100000126638_100000730704 [0,2,0,0,0,0|1,0,1]=4 16069 B11R0.147 C=C(C)CCOC(C)CCCC 34a_100000687866_100000730704 [0,2,0,0,0,0|0,0,1]=3 16070 B11R0.147 C=C(C)CCOC(C)CCCC 34a_100000764851_200011215066 [0,2,0,0,0,0|0,0,1]=3 16071 B11R0.147 C=C(C)CCOC(C)CCCC 7a_100000687866_100000730704 [0,2,0,0,0,0|0,0,1]=3 16072 B11R0.147 C=C(C)CCOC(C)CCCCl 34a_200000718107_100000730704 [0,2,0,0,0,0|1,0,1]=4 16073 B11R0.147 C=C(C)CCOC(C)CCCCl 7a_200000718107_100000730704 [0,2,0,0,0,0|1,0,1]=4 16074 B11R0.147 C=C(C)CCOC(C)COCC 34a_100000718985_100000730704 [0,2,0,0,0,0|1,0,1]=4 16075 B11R0.147 C=C(C)CCOC(C)COCC 7a_100000718985_100000730704 [0,2,0,0,0,0|1,0,1]=4 16076 B11R0.147 C=C(C)CCSC(C)CCCC 62a_100000730704_200011215066 [0,2,0,0,0,0|0,1,1]=4 16077 B11R0.147 C=C(C)CCSC(C)CCCC 62a_200011215066_100000730704 [0,2,0,0,0,0|0,1,1]=4 16078 B11R0.147 C=CCCC(C)OCCC(C)C 34a_100000765329_100000210312 [0,2,0,0,0,0|0,0,2]=4 16079 B11R0.147 C=CCCC(C)OCCC(C)C 7a_100000765329_100000210626 [0,2,0,0,0,0|0,0,2]=4 16080 B11R0.147 C=CCCC(C)OCCC(C)O 34a_100000765329_100012276601 [0,2,0,0,0,0|0,0,2]=4 16081 B11R0.147 C=CCCC(C)OCCC(C)O 7a_100000765329_100012276601 [0,2,0,0,0,0|0,0,2]=4 16082 B11R0.147 CC(=O)CCOC(C)CCCCl 7a_200000718107_100000053229 [0,2,0,0,0,0|1,0,1]=4 16083 B11R0.147 CC(C)CCCC(=O)CCCF 1458a_100011216857_100011934791 [0,2,0,0,0,0|2,0,0]=4 16084 B11R0.147 CC(C)CCCC(=O)CCCO 1458a_100011216857_100011215043 [0,2,0,0,0,0|2,0,0]=4 16085 B11R0.147 CC(C)CCCC(C)CCN[13CH3] 2230a_102516457229_200025704644 [0,2,0,0,0,0|2,0,0]=4 16086 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 34a_100000015991_200025704644 [0,2,0,0,0,0|2,0,0]=4 16087 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 7a_100000015991_200025704644 [0,2,0,0,0,0|2,0,0]=4 16088 B11R0.147 CC(C)CCCC(C)CCS[13CH3] 62a_100009816328_200025704644 [0,2,0,0,0,0|2,0,0]=4 16089 B11R0.147 CC(C)CCCC(C)CCS[13CH3] 62a_200025704644_100009816328 [0,2,0,0,0,0|2,0,0]=4 16090 B11R0.147 CC(C)CCCN(C)CCCO 2230a_100000213112_100011214892 [0,2,0,0,0,0|2,0,0]=4 16091 B11R0.147 CC(C)CCCN(C)CCCO 269982a_100000213112_100011214892 [0,2,0,0,0,0|2,0,0]=4 16092 B11R0.147 CC(C)CCOC(C)CCCCl 34a_200000718107_100000210312 [0,2,0,0,0,0|1,0,0]=3 16093 B11R0.147 CC(C)CCOC(C)CCCCl 7a_200000718107_100000210626 [0,2,0,0,0,0|1,0,0]=3 16094 B11R0.147 CC(C)OCOC(C)CCCCl 34a_200000718107_100000709892 [0,2,0,0,0,0|2,0,0]=4 16095 B11R0.147 CC(CCCCl)OCCN(C)C 7a_200000718107_100000755713 [0,2,0,0,0,0|2,0,0]=4 16096 B11R0.147 CC(O)CCCN(C)CCCO 2230a_100000213112_200000718107 [0,2,0,0,0,0|2,0,0]=4 16097 B11R0.147 CC(O)CCCN(C)CCCO 269982a_100000213112_200000718107 [0,2,0,0,0,0|2,0,0]=4 16098 B11R0.147 CC(O)CCOC(C)CCCCl 34a_200000718107_100012276601 [0,2,0,0,0,0|1,0,0]=3 16099 B11R0.147 CC(O)CCOC(C)CCCCl 7a_200000718107_100012276601 [0,2,0,0,0,0|1,0,0]=3 16100 B11R0.147 CCC#CC(C)OCCC(C)C 34a_100000033903_100000210312 [0,2,0,0,0,0|0,0,2]=4 16101 B11R0.147 CCC#CC(C)OCCC(C)C 7a_100000033903_100000210626 [0,2,0,0,0,0|0,0,2]=4 16102 B11R0.147 CCC#CC(C)OCCC(C)O 34a_100000033903_100012276601 [0,2,0,0,0,0|0,0,2]=4 16103 B11R0.147 CCC#CC(C)OCCC(C)O 7a_100000033903_100012276601 [0,2,0,0,0,0|0,0,2]=4 16104 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [0,2,0,0,0,0|1,0,1]=4 16105 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100000210183_100011214892 [0,2,0,0,0,0|1,0,0]=3 16106 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100011216857_100000210211 [0,2,0,0,0,0|1,0,0]=3 16107 B11R0.147 CCCCC(=O)CCCC(C)O 1458a_100000210183_200000718107 [0,2,0,0,0,0|1,0,0]=3 16108 B11R0.147 CCCCC(=O)CCCN(C)C 1458a_100000210183_100000695564 [0,2,0,0,0,0|2,0,0]=4 16109 B11R0.147 CCCCC(=O)CCOC(C)C 1458a_100000210183_100000211751 [0,2,0,0,0,0|2,0,0]=4 16110 B11R0.147 CCCCC(=O)CCSC(C)C 1458a_100000210183_100000730970 [0,2,0,0,0,0|2,0,0]=4 16111 B11R0.147 CCCCC(=O)COCC(C)C 1458a_100011223364_100000210211 [0,2,0,0,0,0|2,0,0]=4 16112 B11R0.147 CCCCC(=O)NCCC(C)C 11a_100000210545_100000210183 [0,2,0,0,0,0|1,0,1]=4 16113 B11R0.147 CCCCC(=O)NCCC(C)C 1626a_100000210545_100000210183 [0,2,0,0,0,0|1,0,1]=4 16114 B11R0.147 CCCCC(=O)NCCC(C)C 240690a_100000210545_100000210183 [0,2,0,0,0,0|1,0,1]=4 16115 B11R0.147 CCCCC(=O)NCCC(C)C 527a_100000210545_100000210183 [0,2,0,0,0,0|1,0,1]=4 16116 B11R0.147 CCCCC(=O)NCCC(C)O 240690a_200000755665_100000210183 [0,2,0,0,0,0|1,0,1]=4 16117 B11R0.147 CCCCC(=O)NCCC(C)O 527a_200000755665_100000210183 [0,2,0,0,0,0|1,0,1]=4 16118 B11R0.147 CCCCC(C)COCC(C)C 34a_100011995851_100000210624 [0,2,0,0,0,0|2,0,0]=4 16119 B11R0.147 CCCCC(C)COCC(C)C 7a_100011995851_100000210760 [0,2,0,0,0,0|2,0,0]=4 16120 B11R0.147 CCCCC(C)COCC(C)O 34a_100011995851_100011218427 [0,2,0,0,0,0|2,0,0]=4 16121 B11R0.147 CCCCC(C)COCC(C)O 7a_100011995851_100011218427 [0,2,0,0,0,0|2,0,0]=4 16122 B11R0.147 CCCCC(C)COC[C@@H](C)O 34a_100011995851_100009817552 [0,2,0,0,0,0|2,0,0]=4 16123 B11R0.147 CCCCC(C)COC[C@@H](C)O 7a_100011995851_100009817552 [0,2,0,0,0,0|2,0,0]=4 16124 B11R0.147 CCCCC(C)NCCC(C)C 2230a_100000126638_100000210312 [0,2,0,0,0,0|1,0,0]=3 16125 B11R0.147 CCCCC(C)NCCC(C)C 269862a_100000126638_100000185833 [0,2,0,0,0,0|1,0,0]=3 16126 B11R0.147 CCCCC(C)NCCC(C)C 270004a_100000210545_100000210087 [0,2,0,0,0,0|1,0,0]=3 16127 B11R0.147 CCCCC(C)NCCC(C)O 2230a_100000126638_100012276601 [0,2,0,0,0,0|1,0,0]=3 16128 B11R0.147 CCCCC(C)NCCC(C)O 2230a_200000755665_200011215066 [0,2,0,0,0,0|1,0,0]=3 16129 B11R0.147 CCCCC(C)NCCC(C)O 270004a_200000755665_100000210087 [0,2,0,0,0,0|1,0,0]=3 16130 B11R0.147 CCCCC(C)NCCN(C)C 270004a_100000210585_100000210087 [0,2,0,0,0,0|2,0,0]=4 16131 B11R0.147 CCCCC(C)NCOC(C)C 2230a_100000126638_100000709892 [0,2,0,0,0,0|2,0,0]=4 16132 B11R0.147 CCCCC(C)OCC=C(C)C 34a_100000687866_100000761012 [0,2,0,0,0,0|0,0,2]=4 16133 B11R0.147 CCCCC(C)OCC=C(C)C 34a_100000753907_200011215066 [0,2,0,0,0,0|0,0,2]=4 16134 B11R0.147 CCCCC(C)OCC=C(C)C 7a_100000687866_100000761012 [0,2,0,0,0,0|0,0,2]=4 16135 B11R0.147 CCCCC(C)OCCC(=O)C 34a_100000759926_200011215066 [0,2,0,0,0,0|0,0,1]=3 16136 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000687866_100000053229 [0,2,0,0,0,0|0,0,1]=3 16137 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000759926_200011215066 [0,2,0,0,0,0|0,0,1]=3 16138 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000687866_100000731001 [0,2,0,0,0,0|1,0,1]=4 16139 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000757172_200011215066 [0,2,0,0,0,0|1,0,1]=4 16140 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000687866_100000744528 [0,2,0,0,0,0|1,0,1]=4 16141 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000757172_200011215066 [0,2,0,0,0,0|1,0,1]=4 16142 B11R0.147 CCCCC(C)OCCC(C)Br 34a_100009893172_200011215066 [0,2,0,0,0,0|0,0,0]=2 16143 B11R0.147 CCCCC(C)OCCC(C)C 34a_100000210254_200011215066 [0,2,0,0,0,0|0,0,0]=2 16144 B11R0.147 CCCCC(C)OCCC(C)C 34a_100000687866_100000210312 [0,2,0,0,0,0|0,0,0]=2 16145 B11R0.147 CCCCC(C)OCCC(C)C 7a_100000210254_200011215066 [0,2,0,0,0,0|0,0,0]=2 16146 B11R0.147 CCCCC(C)OCCC(C)C 7a_100000687866_100000210626 [0,2,0,0,0,0|0,0,0]=2 16147 B11R0.147 CCCCC(C)OCCC(C)O 34a_100000687866_100012276601 [0,2,0,0,0,0|0,0,0]=2 16148 B11R0.147 CCCCC(C)OCCC(C)O 7a_100000687866_100012276601 [0,2,0,0,0,0|0,0,0]=2 16149 B11R0.147 CCCCC(C)OCCC(F)F 34a_100103093639_200011215066 [0,2,0,0,0,0|1,0,0]=3 16150 B11R0.147 CCCCC(C)OCCN(C)C 7a_100000687866_100000755713 [0,2,0,0,0,0|1,0,0]=3 16151 B11R0.147 CCCCC(C)OCC[C@@H](C)N 34a_100000706166_200011215066 [0,2,0,0,0,0|0,0,0]=2 16152 B11R0.147 CCCCC(C)OCOC(=O)C 34a_100000687866_100009813279 [0,2,0,0,0,0|1,0,1]=4 16153 B11R0.147 CCCCC(C)OCOC(C)C 34a_100000687866_100000709892 [0,2,0,0,0,0|1,0,0]=3 16154 B11R0.147 CCCCC(C)SCCC(=O)C 62a_100000053229_200011215066 [0,2,0,0,0,0|0,1,1]=4 16155 B11R0.147 CCCCC(C)SCCC(=O)C 62a_200011215066_100000053229 [0,2,0,0,0,0|0,1,1]=4 16156 B11R0.147 CCCCC(C)SCCC(C)C 62a_100000210312_200011215066 [0,2,0,0,0,0|0,1,0]=3 16157 B11R0.147 CCCCC(C)SCCC(C)C 62a_200011215066_100000210312 [0,2,0,0,0,0|0,1,0]=3 16158 B11R0.147 CCCCC(C)SCCC(C)O 62a_100012276601_200011215066 [0,2,0,0,0,0|0,1,0]=3 16159 B11R0.147 CCCCC(C)SCCC(C)O 62a_200011215066_100012276601 [0,2,0,0,0,0|0,1,0]=3 16160 B11R0.147 CCCCC(C)SCCN(C)C 62a_200011215066_100000755713 [0,2,0,0,0,0|1,1,0]=4 16161 B11R0.147 CCCCC(C)SCOC(C)C 62a_100000709892_200011215066 [0,2,0,0,0,0|1,1,0]=4 16162 B11R0.147 CCCCC(C)SCOC(C)C 62a_200011215066_100000709892 [0,2,0,0,0,0|1,1,0]=4 16163 B11R0.147 CCCCN(C)CCCC(=O)C 269982a_100000207549_100011215641 [0,2,0,0,0,0|1,0,1]=4 16164 B11R0.147 CCCCN(C)CCCC(C)C 2230a_100000207549_100011214892 [0,2,0,0,0,0|1,0,0]=3 16165 B11R0.147 CCCCN(C)CCCC(C)C 269982a_100000207549_100011214892 [0,2,0,0,0,0|1,0,0]=3 16166 B11R0.147 CCCCN(C)CCCC(C)O 2230a_100000207549_200000718107 [0,2,0,0,0,0|1,0,0]=3 16167 B11R0.147 CCCCN(C)CCCC(C)O 269982a_100000207549_200000718107 [0,2,0,0,0,0|1,0,0]=3 16168 B11R0.147 CCCCN(C)CCCN(C)C 269982a_100000207549_100000757444 [0,2,0,0,0,0|2,0,0]=4 16169 B11R0.147 CCCCN(C)CCCN(C)C 269982a_100000225831_100000210211 [0,2,0,0,0,0|2,0,0]=4 16170 B11R0.147 CCCCN(C)CCOC(C)C 2230a_100000207549_100000211751 [0,2,0,0,0,0|2,0,0]=4 16171 B11R0.147 CCCCN(C)CCOC(C)C 269982a_100000207549_100000211751 [0,2,0,0,0,0|2,0,0]=4 16172 B11R0.147 CCCCN(C)CCSC(C)C 2230a_100000207549_100000730970 [0,2,0,0,0,0|2,0,0]=4 16173 B11R0.147 CCCCN(C)CCSC(C)C 269982a_100000207549_100000730970 [0,2,0,0,0,0|2,0,0]=4 16174 B11R0.147 CCCC[C@H](N)COCC(C)C 34a_100011934283_100000210624 [0,2,0,0,0,0|2,0,0]=4 16175 B11R0.147 CCCC[C@H](N)COCC(C)O 34a_100011934283_100011218427 [0,2,0,0,0,0|2,0,0]=4 16176 B11R0.147 CCCC[C@H](N)COC[C@@H](C)O 34a_100011934283_100009817552 [0,2,0,0,0,0|2,0,0]=4 16177 B11R0.147 CCCNC(=O)CCCC(C)C 11a_100020643023_100011216857 [0,2,0,0,0,0|2,0,0]=4 16178 B11R0.147 CCCNC(=O)CCCC(C)C 1626a_100020643023_100011216857 [0,2,0,0,0,0|2,0,0]=4 16179 B11R0.147 CCCNC(=O)CCCC(C)C 240690a_100020643023_100011216857 [0,2,0,0,0,0|2,0,0]=4 16180 B11R0.147 CCCNC(=O)CCCC(C)C 527a_100020643023_100011216857 [0,2,0,0,0,0|2,0,0]=4 16181 B11R0.147 CCCNC(=O)CCCC(C)O 1626a_100020643023_100000761597 [0,2,0,0,0,0|2,0,0]=4 16182 B11R0.147 CCCNC(=O)CCCC(C)O 527a_100020643023_100000761597 [0,2,0,0,0,0|2,0,0]=4 16183 B11R0.147 CCCNC(C)CCCC(C)C 2230a_100000210607_100000210303 [0,2,0,0,0,0|2,0,0]=4 16184 B11R0.147 CCCNC(C)CCCC(C)C 270004a_100020643023_100000753411 [0,2,0,0,0,0|2,0,0]=4 16185 B11R0.147 CCCOC(C)CCCC(C)C 34a_200011218570_100000210303 [0,2,0,0,0,0|2,0,0]=4 16186 B11R0.147 CCCOC(C)CCCC(C)C 7a_200011218570_100000210303 [0,2,0,0,0,0|2,0,0]=4 16187 B11R0.147 CCOCC(=O)CCCC(C)C 1458a_100000211967_100011214892 [0,2,0,0,0,0|2,0,0]=4 16188 B11R0.147 CCOCC(=O)CCCC(C)O 1458a_100000211967_200000718107 [0,2,0,0,0,0|2,0,0]=4 16189 B11R0.147 CCOCC(C)OCCC(=O)C 7a_100000718985_100000053229 [0,2,0,0,0,0|1,0,1]=4 16190 B11R0.147 CCOCC(C)OCCC(C)C 34a_100000718985_100000210312 [0,2,0,0,0,0|1,0,0]=3 16191 B11R0.147 CCOCC(C)OCCC(C)C 7a_100000718985_100000210626 [0,2,0,0,0,0|1,0,0]=3 16192 B11R0.147 CCOCC(C)OCCC(C)O 34a_100000718985_100012276601 [0,2,0,0,0,0|1,0,0]=3 16193 B11R0.147 CCOCC(C)OCCC(C)O 7a_100000718985_100012276601 [0,2,0,0,0,0|1,0,0]=3 16194 B11R0.147 CCOCC(C)OCCN(C)C 7a_100000718985_100000755713 [0,2,0,0,0,0|2,0,0]=4 16195 B11R0.147 CCOCC(C)OCOC(C)C 34a_100000718985_100000709892 [0,2,0,0,0,0|2,0,0]=4 16196 B11R0.147 CCSCC(=O)CCCC(C)C 1458a_100000230394_100011214892 [0,2,0,0,0,0|2,0,0]=4 16197 B11R0.147 CCSCC(=O)CCCC(C)O 1458a_100000230394_200000718107 [0,2,0,0,0,0|2,0,0]=4 16198 B11R0.147 CCSCC(C)NCCC(C)C 270004a_100000210545_200011216171 [0,2,0,0,0,0|2,0,0]=4 16199 B11R0.147 CCSCC(C)NCCC(C)O 270004a_200000755665_200011216171 [0,2,0,0,0,0|2,0,0]=4 16200 B11R0.147 CNCCC(C)CCCC(C)C 2230a_102516457229_200000210301 [0,2,0,0,0,0|2,0,0]=4 16201 B11R0.147 CNCCC(C)CCCC(C)C 2230a_106832991635_100009816328 [0,2,0,0,0,0|2,0,0]=4 16202 B11R0.147 CNCCC(C)CCCC(C)C 34a_100102657272_100009816328 [0,2,0,0,0,0|2,0,0]=4 16203 B11R0.147 CNCCC(C)CCCC(C)C 7a_106832991635_100009816328 [0,2,0,0,0,0|2,0,0]=4 16204 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100000749529_100011214892 [0,2,0,0,0,0|2,0,0]=4 16205 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100011216857_100000233755 [0,2,0,0,0,0|2,0,0]=4 16206 B11R0.147 COCCC(=O)CCCC(C)O 1458a_100000749529_200000718107 [0,2,0,0,0,0|2,0,0]=4 16207 B11R0.147 COCCC(C)CCCC(C)C 34a_100000015991_200000210301 [0,2,0,0,0,0|2,0,0]=4 16208 B11R0.147 COCCC(C)CCCC(C)C 34a_100138415774_100009816328 [0,2,0,0,0,0|2,0,0]=4 16209 B11R0.147 COCCC(C)CCCC(C)C 7a_100000015991_200000210301 [0,2,0,0,0,0|2,0,0]=4 16210 B11R0.147 COCCC(C)NCCC(C)C 270004a_100000210545_100000742357 [0,2,0,0,0,0|2,0,0]=4 16211 B11R0.147 COCCC(C)NCCC(C)O 270004a_200000755665_100000742357 [0,2,0,0,0,0|2,0,0]=4 16212 B11R0.147 COCCN(C)CCCC(C)C 2230a_100000743101_100011214892 [0,2,0,0,0,0|2,0,0]=4 16213 B11R0.147 COCCN(C)CCCC(C)C 269982a_100000743101_100011214892 [0,2,0,0,0,0|2,0,0]=4 16214 B11R0.147 COCCN(C)CCCC(C)O 2230a_100000743101_200000718107 [0,2,0,0,0,0|2,0,0]=4 16215 B11R0.147 COCCN(C)CCCC(C)O 269982a_100000743101_200000718107 [0,2,0,0,0,0|2,0,0]=4 16216 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100000174002_100011214892 [0,2,0,0,0,0|2,0,0]=4 16217 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100011216857_100000751147 [0,2,0,0,0,0|2,0,0]=4 16218 B11R0.147 CSCCC(=O)CCCC(C)O 1458a_100000174002_200000718107 [0,2,0,0,0,0|2,0,0]=4 16219 B11R0.147 CSCCC(C)CCCC(C)C 62a_100009816328_200000210301 [0,2,0,0,0,0|2,0,0]=4 16220 B11R0.147 CSCCC(C)CCCC(C)C 62a_200000210301_100009816328 [0,2,0,0,0,0|2,0,0]=4 16221 B11R0.147 CSCCC(C)NCCC(C)C 270004a_100000210545_100011217047 [0,2,0,0,0,0|2,0,0]=4 16222 B11R0.147 CSCCC(C)NCCC(C)O 270004a_200000755665_100011217047 [0,2,0,0,0,0|2,0,0]=4 16223 B11R0.147 CSCCN(C)CCCC(C)C 2230a_100000686725_100011214892 [0,2,0,0,0,0|2,0,0]=4 16224 B11R0.147 CSCCN(C)CCCC(C)C 269982a_100000686725_100011214892 [0,2,0,0,0,0|2,0,0]=4 16225 B11R0.147 CSCCN(C)CCCC(C)O 2230a_100000686725_200000718107 [0,2,0,0,0,0|2,0,0]=4 16226 B11R0.147 CSCCN(C)CCCC(C)O 269982a_100000686725_200000718107 [0,2,0,0,0,0|2,0,0]=4 16227 B11R0.148 C#CCCCCNCCC(C)C 2230a_100000706060_100000210312 [0,2,0,0,0,0|1,0,1]=4 16228 B11R0.148 C#CCCCCNCCC(C)C 34a_100000706060_100000210312 [0,2,0,0,0,0|1,0,1]=4 16229 B11R0.148 C#CCCCCNCCC(C)O 2230a_100000706060_100012276601 [0,2,0,0,0,0|1,0,1]=4 16230 B11R0.148 C#CCCCCNCCC(C)O 2230a_200000755665_100010269958 [0,2,0,0,0,0|1,0,1]=4 16231 B11R0.148 C#CCCCCNCCC(C)O 34a_100000706060_100012276601 [0,2,0,0,0,0|1,0,1]=4 16232 B11R0.148 C#CCCCCOCCC(=C)C 34a_100000764851_100010269958 [0,2,0,0,0,0|0,0,2]=4 16233 B11R0.148 C#CCCCCOCCC(=C)C 34a_100000766709_100000730704 [0,2,0,0,0,0|0,0,2]=4 16234 B11R0.148 C#CCCCCOCCC(=C)C 7a_100000766709_100000730704 [0,2,0,0,0,0|0,0,2]=4 16235 B11R0.148 C#CCCCCOCCC(=O)C 34a_100000759926_100010269958 [0,2,0,0,0,0|0,0,2]=4 16236 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000759926_100010269958 [0,2,0,0,0,0|0,0,2]=4 16237 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000766709_100000053229 [0,2,0,0,0,0|0,0,2]=4 16238 B11R0.148 C#CCCCCOCCC(C)Br 34a_100009893172_100010269958 [0,2,0,0,0,0|0,0,1]=3 16239 B11R0.148 C#CCCCCOCCC(C)C 34a_100000210254_100010269958 [0,2,0,0,0,0|0,0,1]=3 16240 B11R0.148 C#CCCCCOCCC(C)C 34a_100000766709_100000210312 [0,2,0,0,0,0|0,0,1]=3 16241 B11R0.148 C#CCCCCOCCC(C)C 7a_100000210254_100010269958 [0,2,0,0,0,0|0,0,1]=3 16242 B11R0.148 C#CCCCCOCCC(C)C 7a_100000766709_100000210626 [0,2,0,0,0,0|0,0,1]=3 16243 B11R0.148 C#CCCCCOCCC(C)O 34a_100000766709_100012276601 [0,2,0,0,0,0|0,0,1]=3 16244 B11R0.148 C#CCCCCOCCC(C)O 7a_100000766709_100012276601 [0,2,0,0,0,0|0,0,1]=3 16245 B11R0.148 C#CCCCCOCCC(F)F 34a_100103093639_100010269958 [0,2,0,0,0,0|1,0,1]=4 16246 B11R0.148 C#CCCCCOCCN(C)C 7a_100000766709_100000755713 [0,2,0,0,0,0|1,0,1]=4 16247 B11R0.148 C#CCCCCOCC[C@@H](C)N 34a_100000706166_100010269958 [0,2,0,0,0,0|0,0,1]=3 16248 B11R0.148 C#CCCCCOCOC(C)C 34a_100000766709_100000709892 [0,2,0,0,0,0|1,0,1]=4 16249 B11R0.148 C#CCCCCSCCC(C)C 62a_100000210312_100010269958 [0,2,0,0,0,0|0,1,1]=4 16250 B11R0.148 C#CCCCCSCCC(C)C 62a_100010269958_100000210312 [0,2,0,0,0,0|0,1,1]=4 16251 B11R0.148 C#CCCCCSCCC(C)O 62a_100010269958_100012276601 [0,2,0,0,0,0|0,1,1]=4 16252 B11R0.148 C#CCCCCSCCC(C)O 62a_100012276601_100010269958 [0,2,0,0,0,0|0,1,1]=4 16253 B11R0.148 C#CCCCNCCCC(C)C 2230a_200000737386_100000731252 [0,2,0,0,0,0|1,0,1]=4 16254 B11R0.148 C#CCCCNCCCC(C)C 34a_100000718082_100011214892 [0,2,0,0,0,0|1,0,1]=4 16255 B11R0.148 C#CCCCNCCCC(C)C 34a_200000737386_100000695029 [0,2,0,0,0,0|1,0,1]=4 16256 B11R0.148 C#CCCCNCCCC(C)O 34a_100000718082_200000718107 [0,2,0,0,0,0|1,0,1]=4 16257 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000215630_100000685027 [0,2,0,0,0,0|0,0,2]=4 16258 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000759063_100000695029 [0,2,0,0,0,0|0,0,2]=4 16259 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000215630_100011215641 [0,2,0,0,0,0|0,0,2]=4 16260 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000759063_100011215417 [0,2,0,0,0,0|0,0,2]=4 16261 B11R0.148 C#CCCCOCCCC(C)C 34a_100000210774_100000695029 [0,2,0,0,0,0|0,0,1]=3 16262 B11R0.148 C#CCCCOCCCC(C)C 34a_100000215630_100011214892 [0,2,0,0,0,0|0,0,1]=3 16263 B11R0.148 C#CCCCOCCCC(C)C 7a_100000210774_100011215417 [0,2,0,0,0,0|0,0,1]=3 16264 B11R0.148 C#CCCCOCCCC(C)C 7a_100000215630_100011214892 [0,2,0,0,0,0|0,0,1]=3 16265 B11R0.148 C#CCCCOCCCC(C)O 34a_100000215630_200000718107 [0,2,0,0,0,0|0,0,1]=3 16266 B11R0.148 C#CCCCOCCCC(C)O 7a_100000215630_200000718107 [0,2,0,0,0,0|0,0,1]=3 16267 B11R0.148 C#CCCCOCCCN(C)C 7a_100000215630_100000757444 [0,2,0,0,0,0|0,0,2]=4 16268 B11R0.148 C#CCCCOCCNC(C)C 34a_100000224655_100000695029 [0,2,0,0,0,0|0,0,2]=4 16269 B11R0.148 C#CCCCOCCOC(C)C 34a_100000211219_100000695029 [0,2,0,0,0,0|0,0,2]=4 16270 B11R0.148 C#CCCCOCCOC(C)C 34a_100000215630_100000211751 [0,2,0,0,0,0|0,0,2]=4 16271 B11R0.148 C#CCCCOCCOC(C)C 7a_100000211219_100011215417 [0,2,0,0,0,0|0,0,2]=4 16272 B11R0.148 C#CCCCOCCOC(C)C 7a_100000215630_100000211751 [0,2,0,0,0,0|0,0,2]=4 16273 B11R0.148 C#CCCCOCCSC(C)C 34a_100000215630_100000730970 [0,2,0,0,0,0|0,0,2]=4 16274 B11R0.148 C#CCCCOCCSC(C)C 34a_200011212901_100000695029 [0,2,0,0,0,0|0,0,2]=4 16275 B11R0.148 C#CCCCOCCSC(C)C 7a_100000215630_100000730970 [0,2,0,0,0,0|0,0,2]=4 16276 B11R0.148 C#CCCCOCCSC(C)C 7a_200011212901_100011215417 [0,2,0,0,0,0|0,0,2]=4 16277 B11R0.148 C#CCCCSCCCC(C)C 62a_100011214892_100011215417 [0,2,0,0,0,0|0,1,1]=4 16278 B11R0.148 C#CCCCSCCCC(C)C 62a_100011215417_100011214892 [0,2,0,0,0,0|0,1,1]=4 16279 B11R0.148 C#CCCCSCCCC(C)O 62a_100011215417_200000718107 [0,2,0,0,0,0|0,1,1]=4 16280 B11R0.148 C#CCCCSCCCC(C)O 62a_200000718107_100011215417 [0,2,0,0,0,0|0,1,1]=4 16281 B11R0.148 C#CCCOCCCCC(=O)C 34a_100011215631_100009817362 [0,2,0,0,0,0|0,0,2]=4 16282 B11R0.148 C#CCCOCCCCC(C)C 34a_100011214890_100000688953 [0,2,0,0,0,0|0,0,2]=4 16283 B11R0.148 C#CCCOCCCCC(C)C 34a_100011215631_100011216152 [0,2,0,0,0,0|0,0,2]=4 16284 B11R0.148 C#CCCOCCCCC(C)C 7a_100011214890_100000688953 [0,2,0,0,0,0|0,0,2]=4 16285 B11R0.148 C#CCCOCCCNC(C)C 34a_100000182298_100000688953 [0,2,0,0,0,0|0,0,2]=4 16286 B11R0.148 C#CCCOCCNCC(C)C 34a_100015185251_100000688953 [0,2,0,0,0,0|0,0,2]=4 16287 B11R0.148 C#CCCOCCOCC(C)C 34a_100000703358_100000688953 [0,2,0,0,0,0|0,0,2]=4 16288 B11R0.148 C#CCCOCCOCC(C)C 7a_100000703358_100000688953 [0,2,0,0,0,0|0,0,2]=4 16289 B11R0.148 C#CCCOCCSCC(C)C 34a_200000230437_100000688953 [0,2,0,0,0,0|0,0,2]=4 16290 B11R0.148 C#CCCOCCSCC(C)C 7a_200000230437_100000688953 [0,2,0,0,0,0|0,0,2]=4 16291 B11R0.148 C#CCOCCOCCC(C)Br 34a_100009893172_100010402529 [0,2,0,0,0,0|0,0,2]=4 16292 B11R0.148 C#CCOCCOCCC(C)C 34a_100000054580_100000210312 [0,2,0,0,0,0|0,0,2]=4 16293 B11R0.148 C#CCOCCOCCC(C)C 34a_100000210254_100010402529 [0,2,0,0,0,0|0,0,2]=4 16294 B11R0.148 C#CCOCCOCCC(C)C 7a_100000054580_100000210626 [0,2,0,0,0,0|0,0,2]=4 16295 B11R0.148 C#CCOCCOCCC(C)C 7a_100000210254_100010402529 [0,2,0,0,0,0|0,0,2]=4 16296 B11R0.148 C#CCOCCOCCC(C)O 34a_100000054580_100012276601 [0,2,0,0,0,0|0,0,2]=4 16297 B11R0.148 C#CCOCCOCCC(C)O 7a_100000054580_100012276601 [0,2,0,0,0,0|0,0,2]=4 16298 B11R0.148 C#CCOCCOCC[C@@H](C)N 34a_100000706166_100010402529 [0,2,0,0,0,0|0,0,2]=4 16299 B11R0.148 C/C=C/CCOCCCC(=O)C 34a_100016278192_100000685027 [0,2,0,0,0,0|0,0,2]=4 16300 B11R0.148 C/C=C/CCOCCCC(C)C 34a_100016278192_100011214892 [0,2,0,0,0,0|0,0,1]=3 16301 B11R0.148 C/C=C/CCOCCCC(C)O 34a_100016278192_200000718107 [0,2,0,0,0,0|0,0,1]=3 16302 B11R0.148 C/C=C/CCOCCOC(C)C 34a_100016278192_100000211751 [0,2,0,0,0,0|0,0,2]=4 16303 B11R0.148 C/C=C/CCOCCSC(C)C 34a_100016278192_100000730970 [0,2,0,0,0,0|0,0,2]=4 16304 B11R0.148 C/C=C/COCCCCC(=O)C 34a_100016270725_100009817362 [0,2,0,0,0,0|0,0,2]=4 16305 B11R0.148 C/C=C/COCCCCC(C)C 34a_100011214890_100102629194 [0,2,0,0,0,0|0,0,2]=4 16306 B11R0.148 C/C=C/COCCCCC(C)C 34a_100016270725_100011216152 [0,2,0,0,0,0|0,0,2]=4 16307 B11R0.148 C/C=C/COCCCCC(C)C 7a_100011214890_100102629194 [0,2,0,0,0,0|0,0,2]=4 16308 B11R0.148 C/C=C/COCCCNC(C)C 34a_100000182298_100102629194 [0,2,0,0,0,0|0,0,2]=4 16309 B11R0.148 C/C=C/COCCNCC(C)C 34a_100015185251_100102629194 [0,2,0,0,0,0|0,0,2]=4 16310 B11R0.148 C/C=C/COCCOCC(C)C 34a_100000703358_100102629194 [0,2,0,0,0,0|0,0,2]=4 16311 B11R0.148 C/C=C/COCCOCC(C)C 7a_100000703358_100102629194 [0,2,0,0,0,0|0,0,2]=4 16312 B11R0.148 C/C=C/COCCSCC(C)C 34a_200000230437_100102629194 [0,2,0,0,0,0|0,0,2]=4 16313 B11R0.148 C/C=C/COCCSCC(C)C 7a_200000230437_100102629194 [0,2,0,0,0,0|0,0,2]=4 16314 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [0,2,0,0,0,0|0,0,2]=4 16315 B11R0.148 C=C(Br)CCOCCCCCF 34a_100009813270_100000729378 [0,2,0,0,0,0|0,0,2]=4 16316 B11R0.148 C=C(Br)CCOCCCCCO 34a_100009813270_100000746330 [0,2,0,0,0,0|0,0,2]=4 16317 B11R0.148 C=C(Br)CCOCCCCOC 34a_100009813270_100000755781 [0,2,0,0,0,0|0,0,2]=4 16318 B11R0.148 C=C(Br)CCOCCCOCC 34a_100009813270_100012232248 [0,2,0,0,0,0|0,0,2]=4 16319 B11R0.148 C=C(Br)CCOCCOCCC 34a_100009813270_100011215938 [0,2,0,0,0,0|0,0,2]=4 16320 B11R0.148 C=C(Br)CCOCOCCCC 34a_100009813270_100011995733 [0,2,0,0,0,0|0,0,2]=4 16321 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [0,2,0,0,0,0|1,0,1]=4 16322 B11R0.148 C=C(C)CCNCCCCCO 2230a_100000762737_100000730704 [0,2,0,0,0,0|1,0,1]=4 16323 B11R0.148 C=C(C)CCNCCCCCO 34a_100000762737_100000730704 [0,2,0,0,0,0|1,0,1]=4 16324 B11R0.148 C=C(C)CCNCCCOCC 2230a_100000210961_100000730704 [0,2,0,0,0,0|1,0,1]=4 16325 B11R0.148 C=C(C)CCNCCCOCC 34a_100000210961_100000730704 [0,2,0,0,0,0|1,0,1]=4 16326 B11R0.148 C=C(C)CCNCCOCCC 2230a_100161115042_100000730704 [0,2,0,0,0,0|1,0,1]=4 16327 B11R0.148 C=C(C)CCNCCOCCC 34a_100161115042_100000730704 [0,2,0,0,0,0|1,0,1]=4 16328 B11R0.148 C=C(C)CCNCCSCCC 2230a_100020603323_100000730704 [0,2,0,0,0,0|1,0,1]=4 16329 B11R0.148 C=C(C)CCOC/C=C/CCC 34a_100016278788_100000730704 [0,2,0,0,0,0|0,0,2]=4 16330 B11R0.148 C=C(C)CCOC/C=C/CCC 7a_100016278788_100000730704 [0,2,0,0,0,0|0,0,2]=4 16331 B11R0.148 C=C(C)CCOCC#CCCC 34a_100000034806_100000730704 [0,2,0,0,0,0|0,0,2]=4 16332 B11R0.148 C=C(C)CCOCC#CCCC 7a_100000034806_100000730704 [0,2,0,0,0,0|0,0,2]=4 16333 B11R0.148 C=C(C)CCOCC/C=C\CC 34a_100000764851_100015370543 [0,2,0,0,0,0|0,0,2]=4 16334 B11R0.148 C=C(C)CCOCC/C=C\CC 34a_100016288707_100000730704 [0,2,0,0,0,0|0,0,2]=4 16335 B11R0.148 C=C(C)CCOCC/C=C\CC 7a_100016288707_100000730704 [0,2,0,0,0,0|0,0,2]=4 16336 B11R0.148 C=C(C)CCOCCC#CCC 34a_100000036655_100000730704 [0,2,0,0,0,0|0,0,2]=4 16337 B11R0.148 C=C(C)CCOCCC#CCC 7a_100000036655_100000730704 [0,2,0,0,0,0|0,0,2]=4 16338 B11R0.148 C=C(C)CCOCCCC=CC 34a_100020645299_100000730704 [0,2,0,0,0,0|0,0,2]=4 16339 B11R0.148 C=C(C)CCOCCCCCBr 34a_100000746331_100000730704 [0,2,0,0,0,0|0,0,1]=3 16340 B11R0.148 C=C(C)CCOCCCCCBr 7a_100000746331_100000730704 [0,2,0,0,0,0|0,0,1]=3 16341 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [0,2,0,0,0,0|0,0,1]=3 16342 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [0,2,0,0,0,0|0,0,1]=3 16343 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [0,2,0,0,0,0|0,0,1]=3 16344 B11R0.148 C=C(C)CCOCCCCCCl 34a_100000746330_100000730704 [0,2,0,0,0,0|0,0,1]=3 16345 B11R0.148 C=C(C)CCOCCCCCCl 7a_100000746330_100000730704 [0,2,0,0,0,0|0,0,1]=3 16346 B11R0.148 C=C(C)CCOCCCCCF 34a_100000764851_100000729378 [0,2,0,0,0,0|0,0,1]=3 16347 B11R0.148 C=C(C)CCOCCCCCI 34a_200012148887_100000730704 [0,2,0,0,0,0|0,0,1]=3 16348 B11R0.148 C=C(C)CCOCCCCCI 7a_200012148887_100000730704 [0,2,0,0,0,0|0,0,1]=3 16349 B11R0.148 C=C(C)CCOCCCCCN 34a_100000762737_100000730704 [0,2,0,0,0,0|0,0,1]=3 16350 B11R0.148 C=C(C)CCOCCCCCO 34a_100000764851_100000746330 [0,2,0,0,0,0|0,0,1]=3 16351 B11R0.148 C=C(C)CCOCCCCOC 34a_100000740925_100000730704 [0,2,0,0,0,0|0,0,1]=3 16352 B11R0.148 C=C(C)CCOCCCCOC 34a_100000764851_100000755781 [0,2,0,0,0,0|0,0,1]=3 16353 B11R0.148 C=C(C)CCOCCCCSC 34a_100011217163_100000730704 [0,2,0,0,0,0|0,0,1]=3 16354 B11R0.148 C=C(C)CCOCCCCSC 7a_100011217163_100000730704 [0,2,0,0,0,0|0,0,1]=3 16355 B11R0.148 C=C(C)CCOCCCOCC 34a_100000757476_100000730704 [0,2,0,0,0,0|0,0,1]=3 16356 B11R0.148 C=C(C)CCOCCCOCC 34a_100000764851_100012232248 [0,2,0,0,0,0|0,0,1]=3 16357 B11R0.148 C=C(C)CCOCCCOCC 7a_100000757476_100000730704 [0,2,0,0,0,0|0,0,1]=3 16358 B11R0.148 C=C(C)CCOCCCSCC 34a_100011216438_100000730704 [0,2,0,0,0,0|0,0,1]=3 16359 B11R0.148 C=C(C)CCOCCCSCC 7a_100011216438_100000730704 [0,2,0,0,0,0|0,0,1]=3 16360 B11R0.148 C=C(C)CCOCCOCCBr 34a_100000692535_100000730704 [0,2,0,0,0,0|1,0,1]=4 16361 B11R0.148 C=C(C)CCOCCOCCBr 7a_100000692535_100000730704 [0,2,0,0,0,0|1,0,1]=4 16362 B11R0.148 C=C(C)CCOCCOCCC 34a_100000752267_100000730704 [0,2,0,0,0,0|0,0,1]=3 16363 B11R0.148 C=C(C)CCOCCOCCC 34a_100000764851_100011215938 [0,2,0,0,0,0|0,0,1]=3 16364 B11R0.148 C=C(C)CCOCCOCCC 7a_100000752267_100000730704 [0,2,0,0,0,0|0,0,1]=3 16365 B11R0.148 C=C(C)CCOCCOCCCl 34a_100011215305_100000730704 [0,2,0,0,0,0|1,0,1]=4 16366 B11R0.148 C=C(C)CCOCCOCCCl 7a_100011215305_100000730704 [0,2,0,0,0,0|1,0,1]=4 16367 B11R0.148 C=C(C)CCOCCOCCF 34a_200015357709_100000730704 [0,2,0,0,0,0|1,0,1]=4 16368 B11R0.148 C=C(C)CCOCCOCCF 7a_200015357709_100000730704 [0,2,0,0,0,0|1,0,1]=4 16369 B11R0.148 C=C(C)CCOCCOCCI 34a_100012149058_100000730704 [0,2,0,0,0,0|1,0,1]=4 16370 B11R0.148 C=C(C)CCOCCOCCI 7a_100012149058_100000730704 [0,2,0,0,0,0|1,0,1]=4 16371 B11R0.148 C=C(C)CCOCCOCCN 34a_100000211614_100000730704 [0,2,0,0,0,0|1,0,1]=4 16372 B11R0.148 C=C(C)CCOCCOCCO 34a_100000764851_100000692535 [0,2,0,0,0,0|1,0,1]=4 16373 B11R0.148 C=C(C)CCOCCSCCC 34a_200000230433_100000730704 [0,2,0,0,0,0|0,0,1]=3 16374 B11R0.148 C=C(C)CCOCCSCCC 7a_200000230433_100000730704 [0,2,0,0,0,0|0,0,1]=3 16375 B11R0.148 C=C(C)CCOCOCCCC 34a_100000764851_100011995733 [0,2,0,0,0,0|0,0,1]=3 16376 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [0,2,0,0,0,0|0,1,1]=4 16377 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [0,2,0,0,0,0|0,1,1]=4 16378 B11R0.148 C=C(C)CCSCCCCCF 62a_100000729378_100000730704 [0,2,0,0,0,0|0,1,1]=4 16379 B11R0.148 C=C(C)CCSCCCCCF 62a_100000730704_100000729378 [0,2,0,0,0,0|0,1,1]=4 16380 B11R0.148 C=C(C)CCSCCCCCO 62a_100000730704_100000746330 [0,2,0,0,0,0|0,1,1]=4 16381 B11R0.148 C=C(C)CCSCCCCCO 62a_100000746330_100000730704 [0,2,0,0,0,0|0,1,1]=4 16382 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730704_100000730899 [0,2,0,0,0,0|0,1,1]=4 16383 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730899_100000730704 [0,2,0,0,0,0|0,1,1]=4 16384 B11R0.148 C=C(C)CCSCCCOCC 62a_100000730704_100012232248 [0,2,0,0,0,0|0,1,1]=4 16385 B11R0.148 C=C(C)CCSCCCOCC 62a_100012232248_100000730704 [0,2,0,0,0,0|0,1,1]=4 16386 B11R0.148 C=C(C)CCSCCOCCC 62a_100000730704_100011215938 [0,2,0,0,0,0|0,1,1]=4 16387 B11R0.148 C=C(C)CCSCCOCCC 62a_100011215938_100000730704 [0,2,0,0,0,0|0,1,1]=4 16388 B11R0.148 C=C(C)CCSCOCCCC 62a_100000730704_100011995733 [0,2,0,0,0,0|0,0,1]=3 16389 B11R0.148 C=C(C)CCSCOCCCC 62a_100011995733_100000730704 [0,2,0,0,0,0|0,0,1]=3 16390 B11R0.148 C=C(C)CCSCOCCOC 62a_100000231047_100000730704 [0,2,0,0,0,0|1,0,1]=4 16391 B11R0.148 C=C(C)CCSCOCCOC 62a_100000730704_100000231047 [0,2,0,0,0,0|1,0,1]=4 16392 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [0,2,0,0,0,0|1,0,1]=4 16393 B11R0.148 C=C(C)CNCCOCCOC 2230a_100000745349_100000748629 [0,2,0,0,0,0|1,0,1]=4 16394 B11R0.148 C=C(C)CNCCOCCOC 34a_100000745349_100000748629 [0,2,0,0,0,0|1,0,1]=4 16395 B11R0.148 C=C(C)CNCCSCCCC 2230a_100025743550_100000748629 [0,2,0,0,0,0|0,1,1]=4 16396 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [0,2,0,0,0,0|1,0,1]=4 16397 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [0,2,0,0,0,0|1,0,1]=4 16398 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [0,2,0,0,0,0|1,0,1]=4 16399 B11R0.148 C=C(C)COCCOCCCC 34a_100000210238_100000748629 [0,2,0,0,0,0|0,0,1]=3 16400 B11R0.148 C=C(C)COCCOCCCC 34a_100000210245_100000743108 [0,2,0,0,0,0|0,0,1]=3 16401 B11R0.148 C=C(C)COCCOCCCC 7a_100000210238_100000748629 [0,2,0,0,0,0|0,0,1]=3 16402 B11R0.148 C=C(C)COCCOCCNC 34a_100000228057_100000748629 [0,2,0,0,0,0|1,0,1]=4 16403 B11R0.148 C=C(C)COCCOCCOC 34a_100000210245_100000695917 [0,2,0,0,0,0|1,0,1]=4 16404 B11R0.148 C=C(C)COCCOCCOC 34a_100011215163_100000748629 [0,2,0,0,0,0|1,0,1]=4 16405 B11R0.148 C=C(C)COCCOCCOC 7a_100011215163_100000748629 [0,2,0,0,0,0|1,0,1]=4 16406 B11R0.148 C=C(C)COCCSCCCC 34a_200000230436_100000748629 [0,2,0,0,0,0|0,1,1]=4 16407 B11R0.148 C=C(C)COCCSCCCC 7a_200000230436_100000748629 [0,2,0,0,0,0|0,1,1]=4 16408 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [0,2,0,0,0,0|1,0,1]=4 16409 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [0,2,0,0,0,0|1,0,1]=4 16410 B11R0.148 C=C(C)CSCCOCCCC 62a_100000743108_100000211660 [0,2,0,0,0,0|0,0,1]=3 16411 B11R0.148 C=C(C)CSCCOCCCC 62a_100000748629_100000743108 [0,2,0,0,0,0|0,0,1]=3 16412 B11R0.148 C=C(C)CSCCOCCOC 62a_100000695917_100000211660 [0,2,0,0,0,0|1,0,1]=4 16413 B11R0.148 C=C(C)CSCCOCCOC 62a_100000748629_100000695917 [0,2,0,0,0,0|1,0,1]=4 16414 B11R0.148 C=C(F)COCCOCCCC 34a_100000210238_100009893438 [0,2,0,0,0,0|0,0,2]=4 16415 B11R0.148 C=C(F)COCCOCCCC 34a_200010262243_100000743108 [0,2,0,0,0,0|0,0,2]=4 16416 B11R0.148 C=C(F)COCCOCCCC 7a_100000210238_100000042424 [0,2,0,0,0,0|0,0,2]=4 16417 B11R0.148 C=C(F)CSCCOCCCC 62a_100000042424_100000743108 [0,2,0,0,0,0|0,0,2]=4 16418 B11R0.148 C=C(F)CSCCOCCCC 62a_100000743108_100000042424 [0,2,0,0,0,0|0,0,2]=4 16419 B11R0.148 C=CCCCCNCCC(C)C 2230a_100000703577_100000210312 [0,2,0,0,0,0|1,0,1]=4 16420 B11R0.148 C=CCCCCNCCC(C)C 269862a_100000703577_100000185833 [0,2,0,0,0,0|1,0,1]=4 16421 B11R0.148 C=CCCCCNCCC(C)C 34a_100000703577_100000210312 [0,2,0,0,0,0|1,0,1]=4 16422 B11R0.148 C=CCCCCNCCC(C)O 2230a_100000703577_100012276601 [0,2,0,0,0,0|1,0,1]=4 16423 B11R0.148 C=CCCCCNCCC(C)O 2230a_200000755665_100011215482 [0,2,0,0,0,0|1,0,1]=4 16424 B11R0.148 C=CCCCCNCCC(C)O 34a_100000703577_100012276601 [0,2,0,0,0,0|1,0,1]=4 16425 B11R0.148 C=CCCCCOCCC(=C)C 34a_100000764851_100011215482 [0,2,0,0,0,0|0,0,2]=4 16426 B11R0.148 C=CCCCCOCCC(=C)C 34a_100000766645_100000730704 [0,2,0,0,0,0|0,0,2]=4 16427 B11R0.148 C=CCCCCOCCC(=C)C 7a_100000766645_100000730704 [0,2,0,0,0,0|0,0,2]=4 16428 B11R0.148 C=CCCCCOCCC(=O)C 34a_100000759926_100011215482 [0,2,0,0,0,0|0,0,2]=4 16429 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000759926_100011215482 [0,2,0,0,0,0|0,0,2]=4 16430 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000766645_100000053229 [0,2,0,0,0,0|0,0,2]=4 16431 B11R0.148 C=CCCCCOCCC(C)Br 34a_100009893172_100011215482 [0,2,0,0,0,0|0,0,1]=3 16432 B11R0.148 C=CCCCCOCCC(C)C 34a_100000210254_100011215482 [0,2,0,0,0,0|0,0,1]=3 16433 B11R0.148 C=CCCCCOCCC(C)C 34a_100000766645_100000210312 [0,2,0,0,0,0|0,0,1]=3 16434 B11R0.148 C=CCCCCOCCC(C)C 7a_100000210254_100011215482 [0,2,0,0,0,0|0,0,1]=3 16435 B11R0.148 C=CCCCCOCCC(C)C 7a_100000766645_100000210626 [0,2,0,0,0,0|0,0,1]=3 16436 B11R0.148 C=CCCCCOCCC(C)O 34a_100000766645_100012276601 [0,2,0,0,0,0|0,0,1]=3 16437 B11R0.148 C=CCCCCOCCC(C)O 7a_100000766645_100012276601 [0,2,0,0,0,0|0,0,1]=3 16438 B11R0.148 C=CCCCCOCCC(F)F 34a_100103093639_100011215482 [0,2,0,0,0,0|1,0,1]=4 16439 B11R0.148 C=CCCCCOCCN(C)C 7a_100000766645_100000755713 [0,2,0,0,0,0|1,0,1]=4 16440 B11R0.148 C=CCCCCOCC[C@@H](C)N 34a_100000706166_100011215482 [0,2,0,0,0,0|0,0,1]=3 16441 B11R0.148 C=CCCCCOCOC(C)C 34a_100000766645_100000709892 [0,2,0,0,0,0|1,0,1]=4 16442 B11R0.148 C=CCCCCSCCC(C)C 62a_100000210312_100011215482 [0,2,0,0,0,0|0,1,1]=4 16443 B11R0.148 C=CCCCCSCCC(C)C 62a_100011215482_100000210312 [0,2,0,0,0,0|0,1,1]=4 16444 B11R0.148 C=CCCCCSCCC(C)O 62a_100011215482_100012276601 [0,2,0,0,0,0|0,1,1]=4 16445 B11R0.148 C=CCCCCSCCC(C)O 62a_100012276601_100011215482 [0,2,0,0,0,0|0,1,1]=4 16446 B11R0.148 C=CCCCNCCCC(C)C 2230a_100000700776_100011214892 [0,2,0,0,0,0|1,0,1]=4 16447 B11R0.148 C=CCCCNCCCC(C)C 2230a_200000737386_100011713584 [0,2,0,0,0,0|1,0,1]=4 16448 B11R0.148 C=CCCCNCCCC(C)C 34a_100000700776_100011214892 [0,2,0,0,0,0|1,0,1]=4 16449 B11R0.148 C=CCCCNCCCC(C)C 34a_200000737386_100000757094 [0,2,0,0,0,0|1,0,1]=4 16450 B11R0.148 C=CCCCNCCCC(C)O 2230a_100000700776_200000718107 [0,2,0,0,0,0|1,0,1]=4 16451 B11R0.148 C=CCCCNCCCC(C)O 34a_100000700776_200000718107 [0,2,0,0,0,0|1,0,1]=4 16452 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000758997_100000685027 [0,2,0,0,0,0|0,0,2]=4 16453 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000759063_100000757094 [0,2,0,0,0,0|0,0,2]=4 16454 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000758997_100011215641 [0,2,0,0,0,0|0,0,2]=4 16455 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000759063_100000757094 [0,2,0,0,0,0|0,0,2]=4 16456 B11R0.148 C=CCCCOCCCC(C)C 34a_100000210774_100000757094 [0,2,0,0,0,0|0,0,1]=3 16457 B11R0.148 C=CCCCOCCCC(C)C 34a_100000758997_100011214892 [0,2,0,0,0,0|0,0,1]=3 16458 B11R0.148 C=CCCCOCCCC(C)C 7a_100000210774_100000757094 [0,2,0,0,0,0|0,0,1]=3 16459 B11R0.148 C=CCCCOCCCC(C)C 7a_100000758997_100011214892 [0,2,0,0,0,0|0,0,1]=3 16460 B11R0.148 C=CCCCOCCCC(C)O 34a_100000758997_200000718107 [0,2,0,0,0,0|0,0,1]=3 16461 B11R0.148 C=CCCCOCCCC(C)O 7a_100000758997_200000718107 [0,2,0,0,0,0|0,0,1]=3 16462 B11R0.148 C=CCCCOCCCN(C)C 7a_100000758997_100000757444 [0,2,0,0,0,0|0,0,2]=4 16463 B11R0.148 C=CCCCOCCNC(C)C 34a_100000224655_100000757094 [0,2,0,0,0,0|0,0,2]=4 16464 B11R0.148 C=CCCCOCCOC(C)C 34a_100000211219_100000757094 [0,2,0,0,0,0|0,0,2]=4 16465 B11R0.148 C=CCCCOCCOC(C)C 34a_100000758997_100000211751 [0,2,0,0,0,0|0,0,2]=4 16466 B11R0.148 C=CCCCOCCOC(C)C 7a_100000211219_100000757094 [0,2,0,0,0,0|0,0,2]=4 16467 B11R0.148 C=CCCCOCCOC(C)C 7a_100000758997_100000211751 [0,2,0,0,0,0|0,0,2]=4 16468 B11R0.148 C=CCCCOCCSC(C)C 34a_100000758997_100000730970 [0,2,0,0,0,0|0,0,2]=4 16469 B11R0.148 C=CCCCOCCSC(C)C 34a_200011212901_100000757094 [0,2,0,0,0,0|0,0,2]=4 16470 B11R0.148 C=CCCCOCCSC(C)C 7a_100000758997_100000730970 [0,2,0,0,0,0|0,0,2]=4 16471 B11R0.148 C=CCCCOCCSC(C)C 7a_200011212901_100000757094 [0,2,0,0,0,0|0,0,2]=4 16472 B11R0.148 C=CCCCSCCCC(C)C 62a_100011214892_100000757094 [0,2,0,0,0,0|0,1,1]=4 16473 B11R0.148 C=CCCCSCCCC(C)C 62a_100011713584_100011214892 [0,2,0,0,0,0|0,1,1]=4 16474 B11R0.148 C=CCCCSCCCC(C)O 62a_100011713584_200000718107 [0,2,0,0,0,0|0,1,1]=4 16475 B11R0.148 C=CCCCSCCCC(C)O 62a_200000718107_100000757094 [0,2,0,0,0,0|0,1,1]=4 16476 B11R0.148 C=CCCOCCCCC(=O)C 34a_100011205117_100009817362 [0,2,0,0,0,0|0,0,2]=4 16477 B11R0.148 C=CCCOCCCCC(C)C 34a_100011205117_100011216152 [0,2,0,0,0,0|0,0,2]=4 16478 B11R0.148 C=CCCOCCCCC(C)C 34a_100011214890_100000754431 [0,2,0,0,0,0|0,0,2]=4 16479 B11R0.148 C=CCCOCCCCC(C)C 7a_100011214890_100000754431 [0,2,0,0,0,0|0,0,2]=4 16480 B11R0.148 C=CCCOCCCNC(C)C 34a_100000182298_100000754431 [0,2,0,0,0,0|0,0,2]=4 16481 B11R0.148 C=CCCOCCNCC(C)C 34a_100015185251_100000754431 [0,2,0,0,0,0|0,0,2]=4 16482 B11R0.148 C=CCCOCCOCC(C)C 34a_100000703358_100000754431 [0,2,0,0,0,0|0,0,2]=4 16483 B11R0.148 C=CCCOCCOCC(C)C 7a_100000703358_100000754431 [0,2,0,0,0,0|0,0,2]=4 16484 B11R0.148 C=CCCOCCSCC(C)C 34a_200000230437_100000754431 [0,2,0,0,0,0|0,0,2]=4 16485 B11R0.148 C=CCCOCCSCC(C)C 7a_200000230437_100000754431 [0,2,0,0,0,0|0,0,2]=4 16486 B11R0.148 C=CCOCCOCCC(C)C 34a_100000037705_100000210312 [0,2,0,0,0,0|0,0,2]=4 16487 B11R0.148 C=CCOCCOCCC(C)C 7a_100000037705_100000210626 [0,2,0,0,0,0|0,0,2]=4 16488 B11R0.148 C=CCOCCOCCC(C)O 34a_100000037705_100012276601 [0,2,0,0,0,0|0,0,2]=4 16489 B11R0.148 C=CCOCCOCCC(C)O 7a_100000037705_100012276601 [0,2,0,0,0,0|0,0,2]=4 16490 B11R0.148 C=COCCOCCCC(C)C 34a_100000033082_100011214892 [0,2,0,0,0,0|0,0,2]=4 16491 B11R0.148 C=COCCOCCCC(C)C 34a_100000210774_100000039644 [0,2,0,0,0,0|0,0,2]=4 16492 B11R0.148 C=COCCOCCCC(C)C 7a_100000210774_100000039644 [0,2,0,0,0,0|0,0,2]=4 16493 B11R0.148 C=COCCOCCCC(C)O 34a_100000033082_200000718107 [0,2,0,0,0,0|0,0,2]=4 16494 B11R0.148 CC#CCCOCCCC(=O)C 34a_100000750427_100000685027 [0,2,0,0,0,0|0,0,2]=4 16495 B11R0.148 CC#CCCOCCCC(C)C 34a_100000750427_100011214892 [0,2,0,0,0,0|0,0,1]=3 16496 B11R0.148 CC#CCCOCCCC(C)O 34a_100000750427_200000718107 [0,2,0,0,0,0|0,0,1]=3 16497 B11R0.148 CC#CCCOCCOC(C)C 34a_100000750427_100000211751 [0,2,0,0,0,0|0,0,2]=4 16498 B11R0.148 CC#CCCOCCSC(C)C 34a_100000750427_100000730970 [0,2,0,0,0,0|0,0,2]=4 16499 B11R0.148 CC#CCOCCCCC(=O)C 34a_100000761923_100009817362 [0,2,0,0,0,0|0,0,2]=4 16500 B11R0.148 CC#CCOCCCCC(C)C 34a_100000761923_100011216152 [0,2,0,0,0,0|0,0,2]=4 16501 B11R0.148 CC#CCOCCCCC(C)C 34a_100011214890_100000748600 [0,2,0,0,0,0|0,0,2]=4 16502 B11R0.148 CC#CCOCCCCC(C)C 7a_100011214890_100000748600 [0,2,0,0,0,0|0,0,2]=4 16503 B11R0.148 CC#CCOCCCNC(C)C 34a_100000182298_100000748600 [0,2,0,0,0,0|0,0,2]=4 16504 B11R0.148 CC#CCOCCNCC(C)C 34a_100015185251_100000748600 [0,2,0,0,0,0|0,0,2]=4 16505 B11R0.148 CC#CCOCCOCC(C)C 34a_100000703358_100000748600 [0,2,0,0,0,0|0,0,2]=4 16506 B11R0.148 CC#CCOCCOCC(C)C 7a_100000703358_100000748600 [0,2,0,0,0,0|0,0,2]=4 16507 B11R0.148 CC#CCOCCSCC(C)C 34a_200000230437_100000748600 [0,2,0,0,0,0|0,0,2]=4 16508 B11R0.148 CC#CCOCCSCC(C)C 7a_200000230437_100000748600 [0,2,0,0,0,0|0,0,2]=4 16509 B11R0.148 CC(=CCCOCCCCBr)C 34a_100011216708_100011217483 [0,2,0,0,0,0|0,0,2]=4 16510 B11R0.148 CC(=CCCOCCCCCl)C 34a_100000210776_100011217483 [0,2,0,0,0,0|0,0,2]=4 16511 B11R0.148 CC(=CCCOCCCCCl)C 7a_100000210776_100011217483 [0,2,0,0,0,0|0,0,2]=4 16512 B11R0.148 CC(=CCCOCCCCF)C 34a_100011995726_100011217483 [0,2,0,0,0,0|0,0,2]=4 16513 B11R0.148 CC(=CCCOCCCCF)C 7a_100011995726_100011217483 [0,2,0,0,0,0|0,0,2]=4 16514 B11R0.148 CC(=CCCOCCCCI)C 34a_200012148704_100011217483 [0,2,0,0,0,0|0,0,2]=4 16515 B11R0.148 CC(=CCCOCCCCN)C 34a_100000750430_100011217483 [0,2,0,0,0,0|0,0,2]=4 16516 B11R0.148 CC(=CCOCCCCCBr)C 34a_100000746331_100000761012 [0,2,0,0,0,0|0,0,2]=4 16517 B11R0.148 CC(=CCOCCCCCBr)C 7a_100000746331_100000761012 [0,2,0,0,0,0|0,0,2]=4 16518 B11R0.148 CC(=CCOCCCCCCl)C 34a_100000746330_100000761012 [0,2,0,0,0,0|0,0,2]=4 16519 B11R0.148 CC(=CCOCCCCCCl)C 7a_100000746330_100000761012 [0,2,0,0,0,0|0,0,2]=4 16520 B11R0.148 CC(=CCOCCCCCF)C 34a_100000753907_100000729378 [0,2,0,0,0,0|0,0,2]=4 16521 B11R0.148 CC(=CCOCCCCCI)C 34a_200012148887_100000761012 [0,2,0,0,0,0|0,0,2]=4 16522 B11R0.148 CC(=CCOCCCCCI)C 7a_200012148887_100000761012 [0,2,0,0,0,0|0,0,2]=4 16523 B11R0.148 CC(=CCOCCCCCN)C 34a_100000762737_100000761012 [0,2,0,0,0,0|0,0,2]=4 16524 B11R0.148 CC(=CCOCCCCCO)C 34a_100000753907_100000746330 [0,2,0,0,0,0|0,0,2]=4 16525 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,2,0,0,0,0|1,0,1]=4 16526 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [0,2,0,0,0,0|2,0,0]=4 16527 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [0,2,0,0,0,0|1,0,0]=3 16528 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [0,2,0,0,0,0|1,0,0]=3 16529 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [0,2,0,0,0,0|1,0,0]=3 16530 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,2,0,0,0,0|1,0,0]=3 16531 B11R0.148 CC(=O)CCCCOCCON 34a_100000700252_100009817362 [0,2,0,0,0,0|2,0,0]=4 16532 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [0,2,0,0,0,0|1,1,0]=4 16533 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [0,2,0,0,0,0|1,1,0]=4 16534 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,2,0,0,0,0|1,1,0]=4 16535 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,2,0,0,0,0|1,1,0]=4 16536 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [0,2,0,0,0,0|1,0,1]=4 16537 B11R0.148 CC(=O)CCCOCCCC#N 7a_100000759063_100000687738 [0,2,0,0,0,0|0,0,2]=4 16538 B11R0.148 CC(=O)CCCOCCCC=O 7a_100000759063_200011292268 [0,2,0,0,0,0|0,0,2]=4 16539 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [0,2,0,0,0,0|0,0,1]=3 16540 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [0,2,0,0,0,0|0,0,1]=3 16541 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [0,2,0,0,0,0|0,0,1]=3 16542 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [0,2,0,0,0,0|0,0,1]=3 16543 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [0,2,0,0,0,0|0,0,1]=3 16544 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [0,2,0,0,0,0|0,0,1]=3 16545 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [0,2,0,0,0,0|0,0,1]=3 16546 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [0,2,0,0,0,0|0,0,1]=3 16547 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,2,0,0,0,0|0,0,1]=3 16548 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [0,2,0,0,0,0|0,0,1]=3 16549 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [0,2,0,0,0,0|0,0,1]=3 16550 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [0,2,0,0,0,0|0,1,1]=4 16551 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [0,2,0,0,0,0|0,1,1]=4 16552 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [0,2,0,0,0,0|0,1,1]=4 16553 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [0,2,0,0,0,0|0,1,1]=4 16554 B11R0.148 CC(=O)CCOCCCCC#N 7a_100000759926_100000211819 [0,2,0,0,0,0|0,0,2]=4 16555 B11R0.148 CC(=O)CCOCCCCC=O 7a_100000759926_100000139335 [0,2,0,0,0,0|0,0,2]=4 16556 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [0,2,0,0,0,0|0,0,1]=3 16557 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [0,2,0,0,0,0|0,0,1]=3 16558 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [0,2,0,0,0,0|0,0,1]=3 16559 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [0,2,0,0,0,0|0,0,1]=3 16560 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [0,2,0,0,0,0|0,0,1]=3 16561 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,2,0,0,0,0|0,0,1]=3 16562 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,2,0,0,0,0|0,0,1]=3 16563 B11R0.148 CC(=O)CCOCCOCCBr 7a_100000692535_100000053229 [0,2,0,0,0,0|1,0,1]=4 16564 B11R0.148 CC(=O)CCOCCOCCCl 7a_100011215305_100000053229 [0,2,0,0,0,0|1,0,1]=4 16565 B11R0.148 CC(=O)CCOCCOCCF 7a_200015357709_100000053229 [0,2,0,0,0,0|1,0,1]=4 16566 B11R0.148 CC(=O)CCOCCOCCI 7a_100012149058_100000053229 [0,2,0,0,0,0|1,0,1]=4 16567 B11R0.148 CC(=O)CCOCCOCCO 1458a_100000070787_100000032323 [0,2,0,0,0,0|1,0,1]=4 16568 B11R0.148 CC(=O)CCOCCOCCO 1458a_100009915118_200000210301 [0,2,0,0,0,0|1,0,1]=4 16569 B11R0.148 CC(=O)CCOCCOCCO 34a_100000759926_100000692535 [0,2,0,0,0,0|1,0,1]=4 16570 B11R0.148 CC(=O)CCOCCOCCO 7a_100000759926_100011215305 [0,2,0,0,0,0|1,0,1]=4 16571 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [0,2,0,0,0,0|0,1,1]=4 16572 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [0,2,0,0,0,0|0,1,1]=4 16573 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,2,0,0,0,0|0,1,1]=4 16574 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,2,0,0,0,0|0,1,1]=4 16575 B11R0.148 CC(=O)NCCCOCCCF 34a_100000752032_100011934791 [0,2,0,0,0,0|1,0,1]=4 16576 B11R0.148 CC(=O)NCCCOCCCO 240690a_100011310245_100015343762 [0,2,0,0,0,0|1,0,1]=4 16577 B11R0.148 CC(=O)NCCCOCCCO 34a_100000752032_100000230001 [0,2,0,0,0,0|1,0,1]=4 16578 B11R0.148 CC(=O)NCCOCCCCCl 7a_100000210776_100000189650 [0,2,0,0,0,0|1,0,1]=4 16579 B11R0.148 CC(=O)NCCOCCCCF 34a_100000158858_100000729493 [0,2,0,0,0,0|1,0,1]=4 16580 B11R0.148 CC(=O)NCCOCCCCF 7a_100011995726_100000189650 [0,2,0,0,0,0|1,0,1]=4 16581 B11R0.148 CC(=O)NCCOCCCCO 34a_100000158858_100011216708 [0,2,0,0,0,0|1,0,1]=4 16582 B11R0.148 CC(=O)OCCCOCCCBr 34a_100011217188_100000042594 [0,2,0,0,0,0|1,0,1]=4 16583 B11R0.148 CC(=O)OCCCOCCCCl 34a_100000230001_100000042594 [0,2,0,0,0,0|1,0,1]=4 16584 B11R0.148 CC(=O)OCCCOCCCF 34a_100000759539_100000042594 [0,2,0,0,0,0|1,0,1]=4 16585 B11R0.148 CC(=O)OCCCOCCCN 34a_100000182051_100000042594 [0,2,0,0,0,0|1,0,1]=4 16586 B11R0.148 CC(=O)OCCOCCCCBr 34a_100011216708_100009814007 [0,2,0,0,0,0|1,0,1]=4 16587 B11R0.148 CC(=O)OCCOCCCCCl 34a_100000210776_100009814007 [0,2,0,0,0,0|1,0,1]=4 16588 B11R0.148 CC(=O)OCCOCCCCCl 7a_100000210776_100009814007 [0,2,0,0,0,0|1,0,1]=4 16589 B11R0.148 CC(=O)OCCOCCCCF 34a_100011995726_100009814007 [0,2,0,0,0,0|1,0,1]=4 16590 B11R0.148 CC(=O)OCCOCCCCF 7a_100011995726_100009814007 [0,2,0,0,0,0|1,0,1]=4 16591 B11R0.148 CC(=O)OCCOCCCCI 34a_200012148704_100009814007 [0,2,0,0,0,0|1,0,1]=4 16592 B11R0.148 CC(=O)OCCOCCCCN 34a_100000750430_100009814007 [0,2,0,0,0,0|1,0,1]=4 16593 B11R0.148 CC(=O)OCOCCCCCBr 34a_100000746331_100009813279 [0,2,0,0,0,0|1,0,1]=4 16594 B11R0.148 CC(=O)OCOCCCCCCl 34a_100000746330_100009813279 [0,2,0,0,0,0|1,0,1]=4 16595 B11R0.148 CC(=O)OCOCCCCCI 34a_200012148887_100009813279 [0,2,0,0,0,0|1,0,1]=4 16596 B11R0.148 CC(=O)OCOCCCCCN 34a_100000762737_100009813279 [0,2,0,0,0,0|1,0,1]=4 16597 B11R0.148 CC(=O)SCCCOCCCBr 34a_100011217188_100000038929 [0,2,0,0,0,0|1,0,1]=4 16598 B11R0.148 CC(=O)SCCCOCCCCl 34a_100000230001_100000038929 [0,2,0,0,0,0|1,0,1]=4 16599 B11R0.148 CC(=O)SCCCOCCCF 34a_100000759539_100000038929 [0,2,0,0,0,0|1,0,1]=4 16600 B11R0.148 CC(=O)SCCCOCCCN 34a_100000182051_100000038929 [0,2,0,0,0,0|1,0,1]=4 16601 B11R0.148 CC(=S)OCCCOCCCBr 34a_100011217188_200135323944 [0,2,0,0,0,0|1,0,1]=4 16602 B11R0.148 CC(=S)OCCCOCCCCl 34a_100000230001_200135323944 [0,2,0,0,0,0|1,0,1]=4 16603 B11R0.148 CC(=S)OCCCOCCCF 34a_100000759539_200135323944 [0,2,0,0,0,0|1,0,1]=4 16604 B11R0.148 CC(=S)OCCCOCCCN 34a_100000182051_200135323944 [0,2,0,0,0,0|1,0,1]=4 16605 B11R0.148 CC(Br)CCOCCCCCF 34a_100009893172_100000729378 [0,2,0,0,0,0|0,0,0]=2 16606 B11R0.148 CC(Br)CCOCCCCCO 34a_100009893172_100000746330 [0,2,0,0,0,0|0,0,0]=2 16607 B11R0.148 CC(Br)CCOCCOCCO 34a_100009893172_100000692535 [0,2,0,0,0,0|1,0,0]=3 16608 B11R0.148 CC(Br)COCCCCCCF 34a_100012180447_100015922095 [0,2,0,0,0,0|2,0,0]=4 16609 B11R0.148 CC(Br)COCCCCCCO 34a_100012180447_100000766143 [0,2,0,0,0,0|2,0,0]=4 16610 B11R0.148 CC(C)CCCCCCCO[13CH3] 34a_200000210741_200025704644 [0,2,0,0,0,0|1,0,0]=3 16611 B11R0.148 CC(C)CCCCCCCO[13CH3] 7a_200000210741_200025704644 [0,2,0,0,0,0|1,0,0]=3 16612 B11R0.148 CC(C)CCCCCCNCF 34a_100000211014_100015361967 [0,2,0,0,0,0|2,0,0]=4 16613 B11R0.148 CC(C)CCCCCNCCF 2230a_100011290863_100011217306 [0,2,0,0,0,0|2,0,0]=4 16614 B11R0.148 CC(C)CCCCCNCCF 34a_100000724931_100000210682 [0,2,0,0,0,0|2,0,0]=4 16615 B11R0.148 CC(C)CCCCCNCCF 34a_100011290863_100011217306 [0,2,0,0,0,0|2,0,0]=4 16616 B11R0.148 CC(C)CCCCCNCCO 2230a_100011290863_100000211926 [0,2,0,0,0,0|2,0,0]=4 16617 B11R0.148 CC(C)CCCCCNCCO 2230a_100016997473_100000210682 [0,2,0,0,0,0|2,0,0]=4 16618 B11R0.148 CC(C)CCCCCNCCO 34a_100011290863_100000211926 [0,2,0,0,0,0|2,0,0]=4 16619 B11R0.148 CC(C)CCCCCNCCO 34a_100016990907_100000210682 [0,2,0,0,0,0|2,0,0]=4 16620 B11R0.148 CC(C)CCCCCOCCBr 34a_100000211926_100000210682 [0,2,0,0,0,0|2,0,0]=4 16621 B11R0.148 CC(C)CCCCCOCCF 34a_100011995859_100011217306 [0,2,0,0,0,0|2,0,0]=4 16622 B11R0.148 CC(C)CCCCCOCCF 7a_100011995859_100011217306 [0,2,0,0,0,0|2,0,0]=4 16623 B11R0.148 CC(C)CCCCCOCCN 34a_100000210304_100000210682 [0,2,0,0,0,0|2,0,0]=4 16624 B11R0.148 CC(C)CCCCCOCCO 34a_100011995859_100000211926 [0,2,0,0,0,0|2,0,0]=4 16625 B11R0.148 CC(C)CCCCCOCCO 7a_100011995859_100000211926 [0,2,0,0,0,0|2,0,0]=4 16626 B11R0.148 CC(C)CCCCCSCCF 62a_100000210682_100011217306 [0,2,0,0,0,0|2,0,0]=4 16627 B11R0.148 CC(C)CCCCCSCCF 62a_100011217306_100000210682 [0,2,0,0,0,0|2,0,0]=4 16628 B11R0.148 CC(C)CCCCCSCCO 62a_100000210682_100000211926 [0,2,0,0,0,0|2,0,0]=4 16629 B11R0.148 CC(C)CCCCCSCCO 62a_100000211926_100000210682 [0,2,0,0,0,0|2,0,0]=4 16630 B11R0.148 CC(C)CCCCNCCCF 2230a_100015189416_100011216152 [0,2,0,0,0,0|2,0,0]=4 16631 B11R0.148 CC(C)CCCCNCCCF 34a_100015189416_100011216152 [0,2,0,0,0,0|2,0,0]=4 16632 B11R0.148 CC(C)CCCCOCCC#N 7a_100011214890_100000184422 [0,2,0,0,0,0|1,0,1]=4 16633 B11R0.148 CC(C)CCCCOCCCBr 34a_100011217188_100011216152 [0,2,0,0,0,0|1,0,0]=3 16634 B11R0.148 CC(C)CCCCOCCCCl 34a_100000230001_100011216152 [0,2,0,0,0,0|1,0,0]=3 16635 B11R0.148 CC(C)CCCCOCCCF 34a_100000759539_100011216152 [0,2,0,0,0,0|1,0,0]=3 16636 B11R0.148 CC(C)CCCCOCCCF 34a_100011214890_100011934791 [0,2,0,0,0,0|1,0,0]=3 16637 B11R0.148 CC(C)CCCCOCCCF 7a_100011214890_100011934791 [0,2,0,0,0,0|1,0,0]=3 16638 B11R0.148 CC(C)CCCCOCCCN 34a_100000182051_100011216152 [0,2,0,0,0,0|1,0,0]=3 16639 B11R0.148 CC(C)CCCCOCCCO 34a_100011214890_100000230001 [0,2,0,0,0,0|1,0,0]=3 16640 B11R0.148 CC(C)CCCCOCCCO 7a_100011214890_100011215043 [0,2,0,0,0,0|1,0,0]=3 16641 B11R0.148 CC(C)CCCCOCCON 34a_100000700252_100011216152 [0,2,0,0,0,0|2,0,0]=4 16642 B11R0.148 CC(C)CCCCSCCCF 62a_100011216152_100011934791 [0,2,0,0,0,0|1,1,0]=4 16643 B11R0.148 CC(C)CCCCSCCCF 62a_100011934791_100011216152 [0,2,0,0,0,0|1,1,0]=4 16644 B11R0.148 CC(C)CCCCSCCCO 62a_100011215043_100011216152 [0,2,0,0,0,0|1,1,0]=4 16645 B11R0.148 CC(C)CCCCSCCCO 62a_100011216152_100011215043 [0,2,0,0,0,0|1,1,0]=4 16646 B11R0.148 CC(C)CCCNCCCC#N 2230a_200000737386_100000687738 [0,2,0,0,0,0|1,0,1]=4 16647 B11R0.148 CC(C)CCCNCCCC=O 2230a_200000737386_200011292268 [0,2,0,0,0,0|1,0,1]=4 16648 B11R0.148 CC(C)CCCNCCCCF 2230a_200000737386_100000729493 [0,2,0,0,0,0|1,0,0]=3 16649 B11R0.148 CC(C)CCCNCCCCF 34a_200000737386_100000729493 [0,2,0,0,0,0|1,0,0]=3 16650 B11R0.148 CC(C)CCCNCCCCO 2230a_100000750430_100011214892 [0,2,0,0,0,0|1,0,0]=3 16651 B11R0.148 CC(C)CCCNCCCCO 2230a_200000737386_100000210776 [0,2,0,0,0,0|1,0,0]=3 16652 B11R0.148 CC(C)CCCNCCCCO 34a_100000750430_100011214892 [0,2,0,0,0,0|1,0,0]=3 16653 B11R0.148 CC(C)CCCNCCCCO 34a_200000737386_100011216708 [0,2,0,0,0,0|1,0,0]=3 16654 B11R0.148 CC(C)CCCOCC#CCCl 34a_200000047223_100011214892 [0,2,0,0,0,0|0,0,2]=4 16655 B11R0.148 CC(C)CCCOCC#CCO 34a_100000210774_200000047223 [0,2,0,0,0,0|0,0,2]=4 16656 B11R0.148 CC(C)CCCOCC#CCO 7a_100000210774_200000047223 [0,2,0,0,0,0|0,0,2]=4 16657 B11R0.148 CC(C)CCCOCCCC#N 7a_100000210774_100000687738 [0,2,0,0,0,0|0,0,1]=3 16658 B11R0.148 CC(C)CCCOCCCC=O 7a_100000210774_200011292268 [0,2,0,0,0,0|0,0,1]=3 16659 B11R0.148 CC(C)CCCOCCCCBr 34a_100011216708_100011214892 [0,2,0,0,0,0|0,0,0]=2 16660 B11R0.148 CC(C)CCCOCCCCCl 34a_100000210776_100011214892 [0,2,0,0,0,0|0,0,0]=2 16661 B11R0.148 CC(C)CCCOCCCCCl 7a_100000210776_100011214892 [0,2,0,0,0,0|0,0,0]=2 16662 B11R0.148 CC(C)CCCOCCCCF 34a_100000210774_100000729493 [0,2,0,0,0,0|0,0,0]=2 16663 B11R0.148 CC(C)CCCOCCCCF 34a_100011995726_100011214892 [0,2,0,0,0,0|0,0,0]=2 16664 B11R0.148 CC(C)CCCOCCCCF 7a_100000210774_100000729493 [0,2,0,0,0,0|0,0,0]=2 16665 B11R0.148 CC(C)CCCOCCCCF 7a_100011995726_100011214892 [0,2,0,0,0,0|0,0,0]=2 16666 B11R0.148 CC(C)CCCOCCCCI 34a_200012148704_100011214892 [0,2,0,0,0,0|0,0,0]=2 16667 B11R0.148 CC(C)CCCOCCCCN 34a_100000750430_100011214892 [0,2,0,0,0,0|0,0,0]=2 16668 B11R0.148 CC(C)CCCOCCCCO 34a_100000210774_100011216708 [0,2,0,0,0,0|0,0,0]=2 16669 B11R0.148 CC(C)CCCOCCCCO 7a_100000210774_100000210776 [0,2,0,0,0,0|0,0,0]=2 16670 B11R0.148 CC(C)CCCSCCCC#N 62a_100000687738_100011214892 [0,2,0,0,0,0|0,1,1]=4 16671 B11R0.148 CC(C)CCCSCCCC#N 62a_100011214892_100000687738 [0,2,0,0,0,0|0,1,1]=4 16672 B11R0.148 CC(C)CCCSCCCC=O 62a_100011214892_200011292268 [0,2,0,0,0,0|0,1,1]=4 16673 B11R0.148 CC(C)CCCSCCCC=O 62a_200011292268_100011214892 [0,2,0,0,0,0|0,1,1]=4 16674 B11R0.148 CC(C)CCCSCCCCF 62a_100000729493_100011214892 [0,2,0,0,0,0|0,1,0]=3 16675 B11R0.148 CC(C)CCCSCCCCF 62a_100011214892_100000729493 [0,2,0,0,0,0|0,1,0]=3 16676 B11R0.148 CC(C)CCCSCCCCO 62a_100000210776_100011214892 [0,2,0,0,0,0|0,1,0]=3 16677 B11R0.148 CC(C)CCCSCCCCO 62a_100011214892_100000210776 [0,2,0,0,0,0|0,1,0]=3 16678 B11R0.148 CC(C)CCNCCCCCO 2230a_100000762737_100000210312 [0,2,0,0,0,0|1,0,0]=3 16679 B11R0.148 CC(C)CCNCCCCCO 269862a_100000762737_100000185833 [0,2,0,0,0,0|1,0,0]=3 16680 B11R0.148 CC(C)CCNCCCCCO 34a_100000762737_100000210312 [0,2,0,0,0,0|1,0,0]=3 16681 B11R0.148 CC(C)CCNCCOCCO 2230a_100000211614_100000210312 [0,2,0,0,0,0|2,0,0]=4 16682 B11R0.148 CC(C)CCNCCOCCO 269862a_100000211614_100000185833 [0,2,0,0,0,0|2,0,0]=4 16683 B11R0.148 CC(C)CCNCCOCCO 34a_100000211614_100000210312 [0,2,0,0,0,0|2,0,0]=4 16684 B11R0.148 CC(C)CCNCCSCCO 2230a_100011219999_100000210312 [0,2,0,0,0,0|2,0,0]=4 16685 B11R0.148 CC(C)CCNCCSCCO 269862a_100011219999_100000185833 [0,2,0,0,0,0|2,0,0]=4 16686 B11R0.148 CC(C)CCOCCCCC#N 7a_100000210254_100000211819 [0,2,0,0,0,0|0,0,1]=3 16687 B11R0.148 CC(C)CCOCCCCC=O 7a_100000210254_100000139335 [0,2,0,0,0,0|0,0,1]=3 16688 B11R0.148 CC(C)CCOCCCCCBr 34a_100000746331_100000210312 [0,2,0,0,0,0|0,0,0]=2 16689 B11R0.148 CC(C)CCOCCCCCBr 7a_100000746331_100000210626 [0,2,0,0,0,0|0,0,0]=2 16690 B11R0.148 CC(C)CCOCCCCCCl 34a_100000746330_100000210312 [0,2,0,0,0,0|0,0,0]=2 16691 B11R0.148 CC(C)CCOCCCCCCl 7a_100000746330_100000210626 [0,2,0,0,0,0|0,0,0]=2 16692 B11R0.148 CC(C)CCOCCCCCF 34a_100000210254_100000729378 [0,2,0,0,0,0|0,0,0]=2 16693 B11R0.148 CC(C)CCOCCCCCF 7a_100000210254_100000729378 [0,2,0,0,0,0|0,0,0]=2 16694 B11R0.148 CC(C)CCOCCCCCI 34a_200012148887_100000210312 [0,2,0,0,0,0|0,0,0]=2 16695 B11R0.148 CC(C)CCOCCCCCI 7a_200012148887_100000210626 [0,2,0,0,0,0|0,0,0]=2 16696 B11R0.148 CC(C)CCOCCCCCN 34a_100000762737_100000210312 [0,2,0,0,0,0|0,0,0]=2 16697 B11R0.148 CC(C)CCOCCCCCO 34a_100000210254_100000746330 [0,2,0,0,0,0|0,0,0]=2 16698 B11R0.148 CC(C)CCOCCCCCO 7a_100000210254_100000746330 [0,2,0,0,0,0|0,0,0]=2 16699 B11R0.148 CC(C)CCOCCOCC#N 7a_100000210254_200000047693 [0,2,0,0,0,0|1,0,1]=4 16700 B11R0.148 CC(C)CCOCCOCCBr 34a_100000692535_100000210312 [0,2,0,0,0,0|1,0,0]=3 16701 B11R0.148 CC(C)CCOCCOCCBr 7a_100000692535_100000210626 [0,2,0,0,0,0|1,0,0]=3 16702 B11R0.148 CC(C)CCOCCOCCCl 34a_100011215305_100000210312 [0,2,0,0,0,0|1,0,0]=3 16703 B11R0.148 CC(C)CCOCCOCCCl 7a_100011215305_100000210626 [0,2,0,0,0,0|1,0,0]=3 16704 B11R0.148 CC(C)CCOCCOCCF 34a_200015357709_100000210312 [0,2,0,0,0,0|1,0,0]=3 16705 B11R0.148 CC(C)CCOCCOCCF 7a_200015357709_100000210626 [0,2,0,0,0,0|1,0,0]=3 16706 B11R0.148 CC(C)CCOCCOCCI 34a_100012149058_100000210312 [0,2,0,0,0,0|1,0,0]=3 16707 B11R0.148 CC(C)CCOCCOCCI 7a_100012149058_100000210626 [0,2,0,0,0,0|1,0,0]=3 16708 B11R0.148 CC(C)CCOCCOCCN 34a_100000211614_100000210312 [0,2,0,0,0,0|1,0,0]=3 16709 B11R0.148 CC(C)CCOCCOCCO 34a_100000210254_100000692535 [0,2,0,0,0,0|1,0,0]=3 16710 B11R0.148 CC(C)CCOCCOCCO 7a_100000210254_100011215305 [0,2,0,0,0,0|1,0,0]=3 16711 B11R0.148 CC(C)CCSCCCCC#N 62a_100000210312_100000211819 [0,2,0,0,0,0|0,1,1]=4 16712 B11R0.148 CC(C)CCSCCCCC#N 62a_100011219923_100000210312 [0,2,0,0,0,0|0,1,1]=4 16713 B11R0.148 CC(C)CCSCCCCC=O 62a_100000139335_100000210312 [0,2,0,0,0,0|0,1,1]=4 16714 B11R0.148 CC(C)CCSCCCCC=O 62a_100000210312_100000139335 [0,2,0,0,0,0|0,1,1]=4 16715 B11R0.148 CC(C)CCSCCCCCF 62a_100000210312_100000729378 [0,2,0,0,0,0|0,1,0]=3 16716 B11R0.148 CC(C)CCSCCCCCF 62a_100000729378_100000210312 [0,2,0,0,0,0|0,1,0]=3 16717 B11R0.148 CC(C)CCSCCCCCO 62a_100000210312_100000746330 [0,2,0,0,0,0|0,1,0]=3 16718 B11R0.148 CC(C)CCSCCCCCO 62a_100000746330_100000210312 [0,2,0,0,0,0|0,1,0]=3 16719 B11R0.148 CC(C)CCSCCOCCO 62a_100000210312_100011215305 [0,2,0,0,0,0|1,1,0]=4 16720 B11R0.148 CC(C)CCSCCOCCO 62a_100011215305_100000210312 [0,2,0,0,0,0|1,1,0]=4 16721 B11R0.148 CC(C)CNCCCCCCF 2230a_100000210953_100015922095 [0,2,0,0,0,0|2,0,0]=4 16722 B11R0.148 CC(C)CNCCCCCCF 34a_100000210953_100015922095 [0,2,0,0,0,0|2,0,0]=4 16723 B11R0.148 CC(C)CNCCCCCCO 2230a_100000210953_100000766143 [0,2,0,0,0,0|2,0,0]=4 16724 B11R0.148 CC(C)CNCCCCCCO 2230a_100000686447_100000210760 [0,2,0,0,0,0|2,0,0]=4 16725 B11R0.148 CC(C)CNCCCCCCO 270004a_100000686447_100000210432 [0,2,0,0,0,0|2,0,0]=4 16726 B11R0.148 CC(C)CNCCCCCCO 34a_100000210953_100000766143 [0,2,0,0,0,0|2,0,0]=4 16727 B11R0.148 CC(C)CNCCCCCCO 34a_100000686447_100000210624 [0,2,0,0,0,0|2,0,0]=4 16728 B11R0.148 CC(C)CNCCOCCCF 34a_100015185251_100011934791 [0,2,0,0,0,0|1,0,0]=3 16729 B11R0.148 CC(C)CNCCOCCCO 34a_100015185251_100000230001 [0,2,0,0,0,0|1,0,0]=3 16730 B11R0.148 CC(C)COCCCCCCBr 34a_100011215345_100000210624 [0,2,0,0,0,0|2,0,0]=4 16731 B11R0.148 CC(C)COCCCCCCBr 7a_100011215345_100000210760 [0,2,0,0,0,0|2,0,0]=4 16732 B11R0.148 CC(C)COCCCCCCCl 34a_100000766143_100000210624 [0,2,0,0,0,0|2,0,0]=4 16733 B11R0.148 CC(C)COCCCCCCCl 7a_100000766143_100000210760 [0,2,0,0,0,0|2,0,0]=4 16734 B11R0.148 CC(C)COCCCCCCF 34a_100000210257_100015922095 [0,2,0,0,0,0|2,0,0]=4 16735 B11R0.148 CC(C)COCCCCCCF 34a_100000732779_100000210624 [0,2,0,0,0,0|2,0,0]=4 16736 B11R0.148 CC(C)COCCCCCCF 7a_100000732779_100000210760 [0,2,0,0,0,0|2,0,0]=4 16737 B11R0.148 CC(C)COCCCCCCN 34a_100000686447_100000210624 [0,2,0,0,0,0|2,0,0]=4 16738 B11R0.148 CC(C)COCCCCCCO 34a_100000210257_100000766143 [0,2,0,0,0,0|2,0,0]=4 16739 B11R0.148 CC(C)COCCOCCC#N 7a_100000703358_100000184422 [0,2,0,0,0,0|1,0,1]=4 16740 B11R0.148 CC(C)COCCOCCCF 34a_100000703358_100011934791 [0,2,0,0,0,0|1,0,0]=3 16741 B11R0.148 CC(C)COCCOCCCF 7a_100000703358_100011934791 [0,2,0,0,0,0|1,0,0]=3 16742 B11R0.148 CC(C)COCCOCCCO 34a_100000703358_100000230001 [0,2,0,0,0,0|1,0,0]=3 16743 B11R0.148 CC(C)COCCOCCCO 7a_100000703358_100011215043 [0,2,0,0,0,0|1,0,0]=3 16744 B11R0.148 CC(C)CSCCCCCCF 62a_100000210624_100015922095 [0,2,0,0,0,0|2,0,0]=4 16745 B11R0.148 CC(C)CSCCCCCCF 62a_100015922095_100000210760 [0,2,0,0,0,0|2,0,0]=4 16746 B11R0.148 CC(C)CSCCCCCCO 62a_100000210624_100000766143 [0,2,0,0,0,0|2,0,0]=4 16747 B11R0.148 CC(C)CSCCCCCCO 62a_100000766143_100000210760 [0,2,0,0,0,0|2,0,0]=4 16748 B11R0.148 CC(C)CSCCOCCC#N 7a_200000230437_100000184422 [0,2,0,0,0,0|1,0,1]=4 16749 B11R0.148 CC(C)CSCCOCCCF 34a_200000230437_100011934791 [0,2,0,0,0,0|1,0,0]=3 16750 B11R0.148 CC(C)CSCCOCCCF 7a_200000230437_100011934791 [0,2,0,0,0,0|1,0,0]=3 16751 B11R0.148 CC(C)CSCCOCCCO 34a_200000230437_100000230001 [0,2,0,0,0,0|1,0,0]=3 16752 B11R0.148 CC(C)CSCCOCCCO 7a_200000230437_100011215043 [0,2,0,0,0,0|1,0,0]=3 16753 B11R0.148 CC(C)NCCCCCCCO 2230a_100011996573_100000210206 [0,2,0,0,0,0|2,0,0]=4 16754 B11R0.148 CC(C)NCCCCCCCO 2230a_100138425928_100000760002 [0,2,0,0,0,0|2,0,0]=4 16755 B11R0.148 CC(C)NCCCCCCCO 34a_100011996573_100000210206 [0,2,0,0,0,0|2,0,0]=4 16756 B11R0.148 CC(C)NCCCCCCCO 34a_100138425928_100000760002 [0,2,0,0,0,0|2,0,0]=4 16757 B11R0.148 CC(C)NCCCOCCCF 34a_100000182298_100011934791 [0,2,0,0,0,0|1,0,0]=3 16758 B11R0.148 CC(C)NCCCOCCCO 2230a_100011310245_100000210206 [0,2,0,0,0,0|1,0,0]=3 16759 B11R0.148 CC(C)NCCCOCCCO 34a_100000182298_100000230001 [0,2,0,0,0,0|1,0,0]=3 16760 B11R0.148 CC(C)NCCCOCCCO 34a_100011310245_100000210206 [0,2,0,0,0,0|1,0,0]=3 16761 B11R0.148 CC(C)NCCOCCCCF 34a_100000224655_100000729493 [0,2,0,0,0,0|1,0,0]=3 16762 B11R0.148 CC(C)NCCOCCCCO 34a_100000224655_100011216708 [0,2,0,0,0,0|1,0,0]=3 16763 B11R0.148 CC(C)OCCCCCCCBr 34a_100000760002_100000210206 [0,2,0,0,0,0|2,0,0]=4 16764 B11R0.148 CC(C)OCCCCCCCBr 7a_100000760002_100000210206 [0,2,0,0,0,0|2,0,0]=4 16765 B11R0.148 CC(C)OCCCCCCCN 34a_100011996573_100000210206 [0,2,0,0,0,0|2,0,0]=4 16766 B11R0.148 CC(C)OCCCCCCCO 34a_100000212225_100000760002 [0,2,0,0,0,0|2,0,0]=4 16767 B11R0.148 CC(C)OCCCNCCCF 2230a_100000737246_100011934791 [0,2,0,0,0,0|2,0,0]=4 16768 B11R0.148 CC(C)OCCCNCCCF 34a_100000737246_100011934791 [0,2,0,0,0,0|2,0,0]=4 16769 B11R0.148 CC(C)OCCCNCCCO 2230a_100000737246_100000230001 [0,2,0,0,0,0|2,0,0]=4 16770 B11R0.148 CC(C)OCCCNCCCO 34a_100000737246_100000230001 [0,2,0,0,0,0|2,0,0]=4 16771 B11R0.148 CC(C)OCCCOCCCN 34a_100011310245_100000210206 [0,2,0,0,0,0|1,0,0]=3 16772 B11R0.148 CC(C)OCCNCCCCF 2230a_100000701111_100000729493 [0,2,0,0,0,0|2,0,0]=4 16773 B11R0.148 CC(C)OCCNCCCCF 34a_100000701111_100000729493 [0,2,0,0,0,0|2,0,0]=4 16774 B11R0.148 CC(C)OCCNCCCCO 2230a_100000701111_100000210776 [0,2,0,0,0,0|2,0,0]=4 16775 B11R0.148 CC(C)OCCNCCCCO 2230a_100000750430_100000211751 [0,2,0,0,0,0|2,0,0]=4 16776 B11R0.148 CC(C)OCCNCCCCO 34a_100000701111_100011216708 [0,2,0,0,0,0|2,0,0]=4 16777 B11R0.148 CC(C)OCCNCCCCO 34a_100000750430_100000211751 [0,2,0,0,0,0|2,0,0]=4 16778 B11R0.148 CC(C)OCCOCCCC#N 7a_100000211219_100000687738 [0,2,0,0,0,0|1,0,1]=4 16779 B11R0.148 CC(C)OCCOCCCC=O 7a_100000211219_200011292268 [0,2,0,0,0,0|1,0,1]=4 16780 B11R0.148 CC(C)OCCOCCCCBr 34a_100011216708_100000211751 [0,2,0,0,0,0|1,0,0]=3 16781 B11R0.148 CC(C)OCCOCCCCCl 34a_100000210776_100000211751 [0,2,0,0,0,0|1,0,0]=3 16782 B11R0.148 CC(C)OCCOCCCCCl 7a_100000210776_100000211751 [0,2,0,0,0,0|1,0,0]=3 16783 B11R0.148 CC(C)OCCOCCCCF 34a_100000211219_100000729493 [0,2,0,0,0,0|1,0,0]=3 16784 B11R0.148 CC(C)OCCOCCCCF 34a_100011995726_100000211751 [0,2,0,0,0,0|1,0,0]=3 16785 B11R0.148 CC(C)OCCOCCCCF 7a_100000211219_100000729493 [0,2,0,0,0,0|1,0,0]=3 16786 B11R0.148 CC(C)OCCOCCCCF 7a_100011995726_100000211751 [0,2,0,0,0,0|1,0,0]=3 16787 B11R0.148 CC(C)OCCOCCCCI 34a_200012148704_100000211751 [0,2,0,0,0,0|1,0,0]=3 16788 B11R0.148 CC(C)OCCOCCCCN 34a_100000750430_100000211751 [0,2,0,0,0,0|1,0,0]=3 16789 B11R0.148 CC(C)OCCOCCCCO 34a_100000211219_100011216708 [0,2,0,0,0,0|1,0,0]=3 16790 B11R0.148 CC(C)OCCOCCCCO 7a_100000211219_100000210776 [0,2,0,0,0,0|1,0,0]=3 16791 B11R0.148 CC(C)OCCSCCCCF 62a_100000211751_100000729493 [0,2,0,0,0,0|1,1,0]=4 16792 B11R0.148 CC(C)OCCSCCCCF 62a_100000729493_100000211751 [0,2,0,0,0,0|1,1,0]=4 16793 B11R0.148 CC(C)OCCSCCCCO 62a_100000210776_100000211751 [0,2,0,0,0,0|1,1,0]=4 16794 B11R0.148 CC(C)OCCSCCCCO 62a_100000211751_100000210776 [0,2,0,0,0,0|1,1,0]=4 16795 B11R0.148 CC(C)OCNCCCCCO 2230a_100000762737_100000709892 [0,2,0,0,0,0|2,0,0]=4 16796 B11R0.148 CC(C)OCNCCCCCO 34a_100000762737_100000709892 [0,2,0,0,0,0|2,0,0]=4 16797 B11R0.148 CC(C)OCOCCCCCBr 34a_100000746331_100000709892 [0,2,0,0,0,0|1,0,0]=3 16798 B11R0.148 CC(C)OCOCCCCCCl 34a_100000746330_100000709892 [0,2,0,0,0,0|1,0,0]=3 16799 B11R0.148 CC(C)OCOCCCCCI 34a_200012148887_100000709892 [0,2,0,0,0,0|1,0,0]=3 16800 B11R0.148 CC(C)OCOCCCCCN 34a_100000762737_100000709892 [0,2,0,0,0,0|1,0,0]=3 16801 B11R0.148 CC(C)OCOCCOCCBr 34a_100000692535_100000709892 [0,2,0,0,0,0|2,0,0]=4 16802 B11R0.148 CC(C)OCOCCOCCCl 34a_100011215305_100000709892 [0,2,0,0,0,0|2,0,0]=4 16803 B11R0.148 CC(C)OCOCCOCCF 34a_200015357709_100000709892 [0,2,0,0,0,0|2,0,0]=4 16804 B11R0.148 CC(C)OCOCCOCCI 34a_100012149058_100000709892 [0,2,0,0,0,0|2,0,0]=4 16805 B11R0.148 CC(C)OCOCCOCCN 34a_100000211614_100000709892 [0,2,0,0,0,0|2,0,0]=4 16806 B11R0.148 CC(C)OCSCCCCCF 62a_100000709892_100000729378 [0,2,0,0,0,0|1,1,0]=4 16807 B11R0.148 CC(C)OCSCCCCCF 62a_100000729378_100000709892 [0,2,0,0,0,0|1,1,0]=4 16808 B11R0.148 CC(C)OCSCCCCCO 62a_100000709892_100000746330 [0,2,0,0,0,0|1,1,0]=4 16809 B11R0.148 CC(C)OCSCCCCCO 62a_100000746330_100000709892 [0,2,0,0,0,0|1,1,0]=4 16810 B11R0.148 CC(C)SCCCCCCCO 62a_100000210206_100000760002 [0,2,0,0,0,0|2,0,0]=4 16811 B11R0.148 CC(C)SCCCCCCCO 62a_100000760002_100000210206 [0,2,0,0,0,0|2,0,0]=4 16812 B11R0.148 CC(C)SCCNCCCCF 2230a_100000731138_100000729493 [0,2,0,0,0,0|2,0,0]=4 16813 B11R0.148 CC(C)SCCNCCCCF 34a_100000731138_100000729493 [0,2,0,0,0,0|2,0,0]=4 16814 B11R0.148 CC(C)SCCNCCCCO 2230a_100000731138_100000210776 [0,2,0,0,0,0|2,0,0]=4 16815 B11R0.148 CC(C)SCCNCCCCO 2230a_100000750430_100000730970 [0,2,0,0,0,0|2,0,0]=4 16816 B11R0.148 CC(C)SCCNCCCCO 34a_100000731138_100011216708 [0,2,0,0,0,0|2,0,0]=4 16817 B11R0.148 CC(C)SCCNCCCCO 34a_100000750430_100000730970 [0,2,0,0,0,0|2,0,0]=4 16818 B11R0.148 CC(C)SCCOCCCC#N 7a_200011212901_100000687738 [0,2,0,0,0,0|1,0,1]=4 16819 B11R0.148 CC(C)SCCOCCCC=O 7a_200011212901_200011292268 [0,2,0,0,0,0|1,0,1]=4 16820 B11R0.148 CC(C)SCCOCCCCBr 34a_100011216708_100000730970 [0,2,0,0,0,0|1,0,0]=3 16821 B11R0.148 CC(C)SCCOCCCCCl 34a_100000210776_100000730970 [0,2,0,0,0,0|1,0,0]=3 16822 B11R0.148 CC(C)SCCOCCCCCl 7a_100000210776_100000730970 [0,2,0,0,0,0|1,0,0]=3 16823 B11R0.148 CC(C)SCCOCCCCF 34a_100011995726_100000730970 [0,2,0,0,0,0|1,0,0]=3 16824 B11R0.148 CC(C)SCCOCCCCF 34a_200011212901_100000729493 [0,2,0,0,0,0|1,0,0]=3 16825 B11R0.148 CC(C)SCCOCCCCF 7a_100011995726_100000730970 [0,2,0,0,0,0|1,0,0]=3 16826 B11R0.148 CC(C)SCCOCCCCF 7a_200011212901_100000729493 [0,2,0,0,0,0|1,0,0]=3 16827 B11R0.148 CC(C)SCCOCCCCI 34a_200012148704_100000730970 [0,2,0,0,0,0|1,0,0]=3 16828 B11R0.148 CC(C)SCCOCCCCN 34a_100000750430_100000730970 [0,2,0,0,0,0|1,0,0]=3 16829 B11R0.148 CC(C)SCCOCCCCO 34a_200011212901_100011216708 [0,2,0,0,0,0|1,0,0]=3 16830 B11R0.148 CC(C)SCCOCCCCO 7a_200011212901_100000210776 [0,2,0,0,0,0|1,0,0]=3 16831 B11R0.148 CC(C)SCCSCCCCF 62a_100000729493_100000730970 [0,2,0,0,0,0|1,1,0]=4 16832 B11R0.148 CC(C)SCCSCCCCF 62a_100000730970_100000729493 [0,2,0,0,0,0|1,1,0]=4 16833 B11R0.148 CC(C)SCCSCCCCO 62a_100000210776_100000730970 [0,2,0,0,0,0|1,1,0]=4 16834 B11R0.148 CC(C)SCCSCCCCO 62a_100000730970_100000210776 [0,2,0,0,0,0|1,1,0]=4 16835 B11R0.148 CC(F)COCCCCCCF 34a_100015925927_100015922095 [0,2,0,0,0,0|2,0,0]=4 16836 B11R0.148 CC(F)COCCCCCCO 34a_100015925927_100000766143 [0,2,0,0,0,0|2,0,0]=4 16837 B11R0.148 CC(O)CCCNCCCCO 2230a_100000750430_200000718107 [0,2,0,0,0,0|1,0,0]=3 16838 B11R0.148 CC(O)CCCNCCCCO 34a_100000750430_200000718107 [0,2,0,0,0,0|1,0,0]=3 16839 B11R0.148 CC(O)CCCOCC#CCCl 34a_200000047223_200000718107 [0,2,0,0,0,0|0,0,2]=4 16840 B11R0.148 CC(O)CCCOCCCCBr 34a_100011216708_200000718107 [0,2,0,0,0,0|0,0,0]=2 16841 B11R0.148 CC(O)CCCOCCCCCl 34a_100000210776_200000718107 [0,2,0,0,0,0|0,0,0]=2 16842 B11R0.148 CC(O)CCCOCCCCCl 7a_100000210776_200000718107 [0,2,0,0,0,0|0,0,0]=2 16843 B11R0.148 CC(O)CCCOCCCCF 34a_100011995726_200000718107 [0,2,0,0,0,0|0,0,0]=2 16844 B11R0.148 CC(O)CCCOCCCCF 7a_100011995726_200000718107 [0,2,0,0,0,0|0,0,0]=2 16845 B11R0.148 CC(O)CCCOCCCCI 34a_200012148704_200000718107 [0,2,0,0,0,0|0,0,0]=2 16846 B11R0.148 CC(O)CCCOCCCCN 34a_100000750430_200000718107 [0,2,0,0,0,0|0,0,0]=2 16847 B11R0.148 CC(O)CCCSCCCC#N 62a_100000687738_200000718107 [0,2,0,0,0,0|0,1,1]=4 16848 B11R0.148 CC(O)CCCSCCCC#N 62a_200000718107_100000687738 [0,2,0,0,0,0|0,1,1]=4 16849 B11R0.148 CC(O)CCCSCCCC=O 62a_200000718107_200011292268 [0,2,0,0,0,0|0,1,1]=4 16850 B11R0.148 CC(O)CCCSCCCC=O 62a_200011292268_200000718107 [0,2,0,0,0,0|0,1,1]=4 16851 B11R0.148 CC(O)CCCSCCCCF 62a_100000729493_200000718107 [0,2,0,0,0,0|0,1,0]=3 16852 B11R0.148 CC(O)CCCSCCCCF 62a_200000718107_100000729493 [0,2,0,0,0,0|0,1,0]=3 16853 B11R0.148 CC(O)CCCSCCCCO 62a_100000210776_200000718107 [0,2,0,0,0,0|0,1,0]=3 16854 B11R0.148 CC(O)CCCSCCCCO 62a_200000718107_100000210776 [0,2,0,0,0,0|0,1,0]=3 16855 B11R0.148 CC(O)CCNCCCCC#N 2230a_200000755665_100000211819 [0,2,0,0,0,0|1,0,1]=4 16856 B11R0.148 CC(O)CCNCCCCC=O 2230a_200000755665_100000139335 [0,2,0,0,0,0|1,0,1]=4 16857 B11R0.148 CC(O)CCNCCCCCF 2230a_200000755665_100000729378 [0,2,0,0,0,0|1,0,0]=3 16858 B11R0.148 CC(O)CCNCCCCCO 2230a_100000762737_100012276601 [0,2,0,0,0,0|1,0,0]=3 16859 B11R0.148 CC(O)CCNCCCCCO 2230a_200000755665_100000746330 [0,2,0,0,0,0|1,0,0]=3 16860 B11R0.148 CC(O)CCNCCCCCO 34a_100000762737_100012276601 [0,2,0,0,0,0|1,0,0]=3 16861 B11R0.148 CC(O)CCNCCOCCO 2230a_100000211614_100012276601 [0,2,0,0,0,0|2,0,0]=4 16862 B11R0.148 CC(O)CCNCCOCCO 2230a_200000755665_100011215305 [0,2,0,0,0,0|2,0,0]=4 16863 B11R0.148 CC(O)CCNCCOCCO 34a_100000211614_100012276601 [0,2,0,0,0,0|2,0,0]=4 16864 B11R0.148 CC(O)CCNCCSCCO 2230a_100011219999_100012276601 [0,2,0,0,0,0|2,0,0]=4 16865 B11R0.148 CC(O)CCOCCCCCBr 34a_100000746331_100012276601 [0,2,0,0,0,0|0,0,0]=2 16866 B11R0.148 CC(O)CCOCCCCCBr 7a_100000746331_100012276601 [0,2,0,0,0,0|0,0,0]=2 16867 B11R0.148 CC(O)CCOCCCCCCl 34a_100000746330_100012276601 [0,2,0,0,0,0|0,0,0]=2 16868 B11R0.148 CC(O)CCOCCCCCCl 7a_100000746330_100012276601 [0,2,0,0,0,0|0,0,0]=2 16869 B11R0.148 CC(O)CCOCCCCCI 34a_200012148887_100012276601 [0,2,0,0,0,0|0,0,0]=2 16870 B11R0.148 CC(O)CCOCCCCCI 7a_200012148887_100012276601 [0,2,0,0,0,0|0,0,0]=2 16871 B11R0.148 CC(O)CCOCCCCCN 34a_100000762737_100012276601 [0,2,0,0,0,0|0,0,0]=2 16872 B11R0.148 CC(O)CCOCCOCCBr 34a_100000692535_100012276601 [0,2,0,0,0,0|1,0,0]=3 16873 B11R0.148 CC(O)CCOCCOCCBr 7a_100000692535_100012276601 [0,2,0,0,0,0|1,0,0]=3 16874 B11R0.148 CC(O)CCOCCOCCCl 34a_100011215305_100012276601 [0,2,0,0,0,0|1,0,0]=3 16875 B11R0.148 CC(O)CCOCCOCCCl 7a_100011215305_100012276601 [0,2,0,0,0,0|1,0,0]=3 16876 B11R0.148 CC(O)CCOCCOCCF 34a_200015357709_100012276601 [0,2,0,0,0,0|1,0,0]=3 16877 B11R0.148 CC(O)CCOCCOCCF 7a_200015357709_100012276601 [0,2,0,0,0,0|1,0,0]=3 16878 B11R0.148 CC(O)CCOCCOCCI 34a_100012149058_100012276601 [0,2,0,0,0,0|1,0,0]=3 16879 B11R0.148 CC(O)CCOCCOCCI 7a_100012149058_100012276601 [0,2,0,0,0,0|1,0,0]=3 16880 B11R0.148 CC(O)CCOCCOCCN 34a_100000211614_100012276601 [0,2,0,0,0,0|1,0,0]=3 16881 B11R0.148 CC(O)CCSCCCCC#N 62a_100011219923_100012276601 [0,2,0,0,0,0|0,1,1]=4 16882 B11R0.148 CC(O)CCSCCCCC#N 62a_100012276601_100000211819 [0,2,0,0,0,0|0,1,1]=4 16883 B11R0.148 CC(O)CCSCCCCC=O 62a_100000139335_100012276601 [0,2,0,0,0,0|0,1,1]=4 16884 B11R0.148 CC(O)CCSCCCCC=O 62a_100012276601_100000139335 [0,2,0,0,0,0|0,1,1]=4 16885 B11R0.148 CC(O)CCSCCCCCF 62a_100000729378_100012276601 [0,2,0,0,0,0|0,1,0]=3 16886 B11R0.148 CC(O)CCSCCCCCF 62a_100012276601_100000729378 [0,2,0,0,0,0|0,1,0]=3 16887 B11R0.148 CC(O)CCSCCCCCO 62a_100000746330_100012276601 [0,2,0,0,0,0|0,1,0]=3 16888 B11R0.148 CC(O)CCSCCCCCO 62a_100012276601_100000746330 [0,2,0,0,0,0|0,1,0]=3 16889 B11R0.148 CC(O)CCSCCOCCO 62a_100011215305_100012276601 [0,2,0,0,0,0|1,1,0]=4 16890 B11R0.148 CC(O)CCSCCOCCO 62a_100012276601_100011215305 [0,2,0,0,0,0|1,1,0]=4 16891 B11R0.148 CC(O)CNCCCCCCF 2230a_100000210904_100015922095 [0,2,0,0,0,0|2,0,0]=4 16892 B11R0.148 CC(O)CNCCCCCCF 34a_100000210904_100015922095 [0,2,0,0,0,0|2,0,0]=4 16893 B11R0.148 CC(O)CNCCCCCCO 2230a_100000210904_100000766143 [0,2,0,0,0,0|2,0,0]=4 16894 B11R0.148 CC(O)CNCCCCCCO 2230a_100000686447_100011218427 [0,2,0,0,0,0|2,0,0]=4 16895 B11R0.148 CC(O)CNCCCCCCO 34a_100000210904_100000766143 [0,2,0,0,0,0|2,0,0]=4 16896 B11R0.148 CC(O)CNCCCCCCO 34a_100000686447_100011218427 [0,2,0,0,0,0|2,0,0]=4 16897 B11R0.148 CC(O)COCCCCCCBr 34a_100011215345_100011218427 [0,2,0,0,0,0|2,0,0]=4 16898 B11R0.148 CC(O)COCCCCCCBr 7a_100011215345_100011218427 [0,2,0,0,0,0|2,0,0]=4 16899 B11R0.148 CC(O)COCCCCCCCl 34a_100000766143_100011218427 [0,2,0,0,0,0|2,0,0]=4 16900 B11R0.148 CC(O)COCCCCCCCl 7a_100000766143_100011218427 [0,2,0,0,0,0|2,0,0]=4 16901 B11R0.148 CC(O)COCCCCCCF 34a_100000732779_100011218427 [0,2,0,0,0,0|2,0,0]=4 16902 B11R0.148 CC(O)COCCCCCCF 7a_100000732779_100011218427 [0,2,0,0,0,0|2,0,0]=4 16903 B11R0.148 CC(O)COCCCCCCN 34a_100000686447_100011218427 [0,2,0,0,0,0|2,0,0]=4 16904 B11R0.148 CC(O)CSCCCCCCF 62a_100011218427_100015922095 [0,2,0,0,0,0|2,0,0]=4 16905 B11R0.148 CC(O)CSCCCCCCF 62a_100015922095_100011218427 [0,2,0,0,0,0|2,0,0]=4 16906 B11R0.148 CC(O)CSCCCCCCO 62a_100000766143_100011218427 [0,2,0,0,0,0|2,0,0]=4 16907 B11R0.148 CC(O)CSCCCCCCO 62a_100011218427_100000766143 [0,2,0,0,0,0|2,0,0]=4 16908 B11R0.148 CC/C=C\CCNCCC(C)O 2230a_200000755665_100015370543 [0,2,0,0,0,0|1,0,1]=4 16909 B11R0.148 CC/C=C\CCOCCC(=O)C 34a_100000759926_100015370543 [0,2,0,0,0,0|0,0,2]=4 16910 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100000759926_100015370543 [0,2,0,0,0,0|0,0,2]=4 16911 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100016288707_100000053229 [0,2,0,0,0,0|0,0,2]=4 16912 B11R0.148 CC/C=C\CCOCCC(C)Br 34a_100009893172_100015370543 [0,2,0,0,0,0|0,0,1]=3 16913 B11R0.148 CC/C=C\CCOCCC(C)C 34a_100000210254_100015370543 [0,2,0,0,0,0|0,0,1]=3 16914 B11R0.148 CC/C=C\CCOCCC(C)C 34a_100016288707_100000210312 [0,2,0,0,0,0|0,0,1]=3 16915 B11R0.148 CC/C=C\CCOCCC(C)C 7a_100000210254_100015370543 [0,2,0,0,0,0|0,0,1]=3 16916 B11R0.148 CC/C=C\CCOCCC(C)C 7a_100016288707_100000210626 [0,2,0,0,0,0|0,0,1]=3 16917 B11R0.148 CC/C=C\CCOCCC(C)O 34a_100016288707_100012276601 [0,2,0,0,0,0|0,0,1]=3 16918 B11R0.148 CC/C=C\CCOCCC(C)O 7a_100016288707_100012276601 [0,2,0,0,0,0|0,0,1]=3 16919 B11R0.148 CC/C=C\CCOCCC(F)F 34a_100103093639_100015370543 [0,2,0,0,0,0|1,0,1]=4 16920 B11R0.148 CC/C=C\CCOCCN(C)C 7a_100016288707_100000755713 [0,2,0,0,0,0|1,0,1]=4 16921 B11R0.148 CC/C=C\CCOCC[C@@H](C)N 34a_100000706166_100015370543 [0,2,0,0,0,0|0,0,1]=3 16922 B11R0.148 CC/C=C\CCOCOC(C)C 34a_100016288707_100000709892 [0,2,0,0,0,0|1,0,1]=4 16923 B11R0.148 CC/C=C\CCSCCC(C)C 62a_100000210312_100015370543 [0,2,0,0,0,0|0,1,1]=4 16924 B11R0.148 CC/C=C\CCSCCC(C)C 62a_100015370543_100000210312 [0,2,0,0,0,0|0,1,1]=4 16925 B11R0.148 CC/C=C\CCSCCC(C)O 62a_100012276601_100015370543 [0,2,0,0,0,0|0,1,1]=4 16926 B11R0.148 CC/C=C\CCSCCC(C)O 62a_100015370543_100012276601 [0,2,0,0,0,0|0,1,1]=4 16927 B11R0.148 CC/C=C\CNCCCC(C)C 2230a_200000737386_100103147603 [0,2,0,0,0,0|1,0,1]=4 16928 B11R0.148 CC/C=C\CNCCCC(C)C 34a_200000737386_100103147603 [0,2,0,0,0,0|1,0,1]=4 16929 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100000759063_100103147603 [0,2,0,0,0,0|0,0,2]=4 16930 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100016268518_100000685027 [0,2,0,0,0,0|0,0,2]=4 16931 B11R0.148 CC/C=C\COCCCC(=O)C 7a_100000759063_100103147603 [0,2,0,0,0,0|0,0,2]=4 16932 B11R0.148 CC/C=C\COCCCC(C)C 34a_100000210774_100103147603 [0,2,0,0,0,0|0,0,1]=3 16933 B11R0.148 CC/C=C\COCCCC(C)C 34a_100016268518_100011214892 [0,2,0,0,0,0|0,0,1]=3 16934 B11R0.148 CC/C=C\COCCCC(C)C 7a_100000210774_100103147603 [0,2,0,0,0,0|0,0,1]=3 16935 B11R0.148 CC/C=C\COCCCC(C)O 34a_100016268518_200000718107 [0,2,0,0,0,0|0,0,1]=3 16936 B11R0.148 CC/C=C\COCCNC(C)C 34a_100000224655_100103147603 [0,2,0,0,0,0|0,0,2]=4 16937 B11R0.148 CC/C=C\COCCOC(C)C 34a_100000211219_100103147603 [0,2,0,0,0,0|0,0,2]=4 16938 B11R0.148 CC/C=C\COCCOC(C)C 34a_100016268518_100000211751 [0,2,0,0,0,0|0,0,2]=4 16939 B11R0.148 CC/C=C\COCCOC(C)C 7a_100000211219_100103147603 [0,2,0,0,0,0|0,0,2]=4 16940 B11R0.148 CC/C=C\COCCSC(C)C 34a_100016268518_100000730970 [0,2,0,0,0,0|0,0,2]=4 16941 B11R0.148 CC/C=C\COCCSC(C)C 34a_200011212901_100103147603 [0,2,0,0,0,0|0,0,2]=4 16942 B11R0.148 CC/C=C\COCCSC(C)C 7a_200011212901_100103147603 [0,2,0,0,0,0|0,0,2]=4 16943 B11R0.148 CC/C=C\CSCCCC(C)C 62a_100011214892_100103147603 [0,2,0,0,0,0|0,1,1]=4 16944 B11R0.148 CC/C=C\CSCCCC(C)C 62a_100103147603_100011214892 [0,2,0,0,0,0|0,1,1]=4 16945 B11R0.148 CC/C=C\CSCCCC(C)O 62a_100103147603_200000718107 [0,2,0,0,0,0|0,1,1]=4 16946 B11R0.148 CC/C=C\CSCCCC(C)O 62a_200000718107_100103147603 [0,2,0,0,0,0|0,1,1]=4 16947 B11R0.148 CC=C=CCCOCCC(C)C 34a_100011020354_100000210312 [0,2,0,0,0,0|0,0,2]=4 16948 B11R0.148 CC=C=CCCOCCC(C)O 34a_100011020354_100012276601 [0,2,0,0,0,0|0,0,2]=4 16949 B11R0.148 CC=CCCCOCCC(C)C 34a_100020645299_100000210312 [0,2,0,0,0,0|0,0,1]=3 16950 B11R0.148 CC=CCCCOCCC(C)O 34a_100020645299_100012276601 [0,2,0,0,0,0|0,0,1]=3 16951 B11R0.148 CC=CCCCOCOC(C)C 34a_100020645299_100000709892 [0,2,0,0,0,0|1,0,1]=4 16952 B11R0.148 CC=CCOCCCCC(C)C 34a_100011214890_100000070051 [0,2,0,0,0,0|0,0,2]=4 16953 B11R0.148 CC=CCOCCCCC(C)C 7a_100011214890_100000070051 [0,2,0,0,0,0|0,0,2]=4 16954 B11R0.148 CC=CCOCCCNC(C)C 34a_100000182298_100000070051 [0,2,0,0,0,0|0,0,2]=4 16955 B11R0.148 CC=CCOCCNCC(C)C 34a_100015185251_100000070051 [0,2,0,0,0,0|0,0,2]=4 16956 B11R0.148 CC=CCOCCOCC(C)C 34a_100000703358_100000070051 [0,2,0,0,0,0|0,0,2]=4 16957 B11R0.148 CC=CCOCCOCC(C)C 7a_100000703358_100000070051 [0,2,0,0,0,0|0,0,2]=4 16958 B11R0.148 CC=CCOCCSCC(C)C 34a_200000230437_100000070051 [0,2,0,0,0,0|0,0,2]=4 16959 B11R0.148 CC=CCOCCSCC(C)C 7a_200000230437_100000070051 [0,2,0,0,0,0|0,0,2]=4 16960 B11R0.148 CCC#CCCOCCC(=O)C 7a_100000036655_100000053229 [0,2,0,0,0,0|0,0,2]=4 16961 B11R0.148 CCC#CCCOCCC(C)C 34a_100000036655_100000210312 [0,2,0,0,0,0|0,0,1]=3 16962 B11R0.148 CCC#CCCOCCC(C)C 7a_100000036655_100000210626 [0,2,0,0,0,0|0,0,1]=3 16963 B11R0.148 CCC#CCCOCCC(C)O 34a_100000036655_100012276601 [0,2,0,0,0,0|0,0,1]=3 16964 B11R0.148 CCC#CCCOCCC(C)O 7a_100000036655_100012276601 [0,2,0,0,0,0|0,0,1]=3 16965 B11R0.148 CCC#CCCOCCN(C)C 7a_100000036655_100000755713 [0,2,0,0,0,0|1,0,1]=4 16966 B11R0.148 CCC#CCCOCOC(C)C 34a_100000036655_100000709892 [0,2,0,0,0,0|1,0,1]=4 16967 B11R0.148 CCC#CCNCCCC(C)C 2230a_200000737386_100009813939 [0,2,0,0,0,0|1,0,1]=4 16968 B11R0.148 CCC#CCNCCCC(C)C 34a_200000737386_100009813939 [0,2,0,0,0,0|1,0,1]=4 16969 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000032950_100000685027 [0,2,0,0,0,0|0,0,2]=4 16970 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000759063_100009813939 [0,2,0,0,0,0|0,0,2]=4 16971 B11R0.148 CCC#CCOCCCC(=O)C 7a_100000759063_100009813939 [0,2,0,0,0,0|0,0,2]=4 16972 B11R0.148 CCC#CCOCCCC(C)C 34a_100000032950_100011214892 [0,2,0,0,0,0|0,0,1]=3 16973 B11R0.148 CCC#CCOCCCC(C)C 34a_100000210774_100009813939 [0,2,0,0,0,0|0,0,1]=3 16974 B11R0.148 CCC#CCOCCCC(C)C 7a_100000210774_100009813939 [0,2,0,0,0,0|0,0,1]=3 16975 B11R0.148 CCC#CCOCCCC(C)O 34a_100000032950_200000718107 [0,2,0,0,0,0|0,0,1]=3 16976 B11R0.148 CCC#CCOCCNC(C)C 34a_100000224655_100009813939 [0,2,0,0,0,0|0,0,2]=4 16977 B11R0.148 CCC#CCOCCOC(C)C 34a_100000032950_100000211751 [0,2,0,0,0,0|0,0,2]=4 16978 B11R0.148 CCC#CCOCCOC(C)C 34a_100000211219_100009813939 [0,2,0,0,0,0|0,0,2]=4 16979 B11R0.148 CCC#CCOCCOC(C)C 7a_100000211219_100009813939 [0,2,0,0,0,0|0,0,2]=4 16980 B11R0.148 CCC#CCOCCSC(C)C 34a_100000032950_100000730970 [0,2,0,0,0,0|0,0,2]=4 16981 B11R0.148 CCC#CCOCCSC(C)C 34a_200011212901_100009813939 [0,2,0,0,0,0|0,0,2]=4 16982 B11R0.148 CCC#CCOCCSC(C)C 7a_200011212901_100009813939 [0,2,0,0,0,0|0,0,2]=4 16983 B11R0.148 CCC#CCSCCCC(C)C 62a_100009813939_100011214892 [0,2,0,0,0,0|0,1,1]=4 16984 B11R0.148 CCC#CCSCCCC(C)C 62a_100011214892_100009813939 [0,2,0,0,0,0|0,1,1]=4 16985 B11R0.148 CCC#CCSCCCC(C)O 62a_100009813939_200000718107 [0,2,0,0,0,0|0,1,1]=4 16986 B11R0.148 CCC#CCSCCCC(C)O 62a_200000718107_100009813939 [0,2,0,0,0,0|0,1,1]=4 16987 B11R0.148 CCC/C=C/COCCC(=O)C 7a_100016278788_100000053229 [0,2,0,0,0,0|0,0,2]=4 16988 B11R0.148 CCC/C=C/COCCC(C)C 34a_100016278788_100000210312 [0,2,0,0,0,0|0,0,1]=3 16989 B11R0.148 CCC/C=C/COCCC(C)C 7a_100016278788_100000210626 [0,2,0,0,0,0|0,0,1]=3 16990 B11R0.148 CCC/C=C/COCCC(C)O 34a_100016278788_100012276601 [0,2,0,0,0,0|0,0,1]=3 16991 B11R0.148 CCC/C=C/COCCC(C)O 7a_100016278788_100012276601 [0,2,0,0,0,0|0,0,1]=3 16992 B11R0.148 CCC/C=C/COCCN(C)C 7a_100016278788_100000755713 [0,2,0,0,0,0|1,0,1]=4 16993 B11R0.148 CCC/C=C/COCOC(C)C 34a_100016278788_100000709892 [0,2,0,0,0,0|1,0,1]=4 16994 B11R0.148 CCCC#CCCOCC(C)C 34a_100000042726_100000210624 [0,2,0,0,0,0|1,0,1]=4 16995 B11R0.148 CCCC#CCCOCC(C)C 7a_100000042726_100000210760 [0,2,0,0,0,0|1,0,1]=4 16996 B11R0.148 CCCC#CCCOCC(C)O 34a_100000042726_100011218427 [0,2,0,0,0,0|1,0,1]=4 16997 B11R0.148 CCCC#CCCOCC(C)O 7a_100000042726_100011218427 [0,2,0,0,0,0|1,0,1]=4 16998 B11R0.148 CCCC#CCCOC[C@@H](C)O 34a_100000042726_100009817552 [0,2,0,0,0,0|1,0,1]=4 16999 B11R0.148 CCCC#CCCOC[C@@H](C)O 7a_100000042726_100009817552 [0,2,0,0,0,0|1,0,1]=4 17000 B11R0.148 CCCC#CCOCCC(=O)C 7a_100000034806_100000053229 [0,2,0,0,0,0|0,0,2]=4 17001 B11R0.148 CCCC#CCOCCC(C)C 34a_100000034806_100000210312 [0,2,0,0,0,0|0,0,1]=3 17002 B11R0.148 CCCC#CCOCCC(C)C 7a_100000034806_100000210626 [0,2,0,0,0,0|0,0,1]=3 17003 B11R0.148 CCCC#CCOCCC(C)O 34a_100000034806_100012276601 [0,2,0,0,0,0|0,0,1]=3 17004 B11R0.148 CCCC#CCOCCC(C)O 7a_100000034806_100012276601 [0,2,0,0,0,0|0,0,1]=3 17005 B11R0.148 CCCC#CCOCCN(C)C 7a_100000034806_100000755713 [0,2,0,0,0,0|1,0,1]=4 17006 B11R0.148 CCCC#CCOCOC(C)C 34a_100000034806_100000709892 [0,2,0,0,0,0|1,0,1]=4 17007 B11R0.148 CCCC/C=C/COCC(C)C 34a_200016272032_100000210624 [0,2,0,0,0,0|1,0,1]=4 17008 B11R0.148 CCCC/C=C/COCC(C)C 7a_200016272032_100000210760 [0,2,0,0,0,0|1,0,1]=4 17009 B11R0.148 CCCC/C=C/COCC(C)O 34a_200016272032_100011218427 [0,2,0,0,0,0|1,0,1]=4 17010 B11R0.148 CCCC/C=C/COCC(C)O 7a_200016272032_100011218427 [0,2,0,0,0,0|1,0,1]=4 17011 B11R0.148 CCCC/C=C/COC[C@@H](C)O 34a_200016272032_100009817552 [0,2,0,0,0,0|1,0,1]=4 17012 B11R0.148 CCCC/C=C/COC[C@@H](C)O 7a_200016272032_100009817552 [0,2,0,0,0,0|1,0,1]=4 17013 B11R0.148 CCCC/C=C\CCOC(C)C 34a_200016286491_100000210206 [0,2,0,0,0,0|1,0,1]=4 17014 B11R0.148 CCCC/C=C\CCOC(C)C 7a_200016286491_100000210206 [0,2,0,0,0,0|1,0,1]=4 17015 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [0,2,0,0,0,0|1,0,1]=4 17016 B11R0.148 CCCCC#CCCCN(C)C 2230a_100102631434_200000047210 [0,2,0,0,0,0|1,0,1]=4 17017 B11R0.148 CCCCC#CCCCN(C)C 269982a_100102631434_200000047210 [0,2,0,0,0,0|1,0,1]=4 17018 B11R0.148 CCCCC#CCCOC(C)C 34a_100000037610_100000210206 [0,2,0,0,0,0|1,0,1]=4 17019 B11R0.148 CCCCC#CCCOC(C)C 7a_100000037610_100000210206 [0,2,0,0,0,0|1,0,1]=4 17020 B11R0.148 CCCCC#CCOCC(C)C 34a_200000034558_100000210624 [0,2,0,0,0,0|1,0,1]=4 17021 B11R0.148 CCCCC#CCOCC(C)C 7a_200000034558_100000210760 [0,2,0,0,0,0|1,0,1]=4 17022 B11R0.148 CCCCC#CCOCC(C)O 34a_200000034558_100011218427 [0,2,0,0,0,0|1,0,1]=4 17023 B11R0.148 CCCCC#CCOCC(C)O 7a_200000034558_100011218427 [0,2,0,0,0,0|1,0,1]=4 17024 B11R0.148 CCCCC#CCOC[C@@H](C)O 34a_200000034558_100009817552 [0,2,0,0,0,0|1,0,1]=4 17025 B11R0.148 CCCCC#CCOC[C@@H](C)O 7a_200000034558_100009817552 [0,2,0,0,0,0|1,0,1]=4 17026 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [0,2,0,0,0,0|1,0,1]=4 17027 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [0,2,0,0,0,0|1,0,1]=4 17028 B11R0.148 CCCCC/C=C/COC(C)C 34a_100016258190_100000210206 [0,2,0,0,0,0|1,0,1]=4 17029 B11R0.148 CCCCC/C=C/COC(C)C 7a_100016258190_100000210206 [0,2,0,0,0,0|1,0,1]=4 17030 B11R0.148 CCCCCC#CCNC(C)C 2230a_100138425928_100009816472 [0,2,0,0,0,0|1,0,1]=4 17031 B11R0.148 CCCCCC#CCNC(C)C 34a_100138425928_100009816472 [0,2,0,0,0,0|1,0,1]=4 17032 B11R0.148 CCCCCC#CCOC(C)C 34a_100000212225_100009816472 [0,2,0,0,0,0|1,0,1]=4 17033 B11R0.148 CCCCCC#CCOC(C)C 34a_200000033628_100000210206 [0,2,0,0,0,0|1,0,1]=4 17034 B11R0.148 CCCCCC#CCOC(C)C 7a_200000033628_100000210206 [0,2,0,0,0,0|1,0,1]=4 17035 B11R0.148 CCCCCC#CCSC(C)C 62a_100000210206_100009816472 [0,2,0,0,0,0|1,0,1]=4 17036 B11R0.148 CCCCCC#CCSC(C)C 62a_100009816472_100000210206 [0,2,0,0,0,0|1,0,1]=4 17037 B11R0.148 CCCCCC=NNCC(C)O 4a_200000730056_100000737632 [0,2,0,0,0,0|2,0,0]=4 17038 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,2,0,0,0,0|1,0,0]=3 17039 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,2,0,0,0,0|1,0,0]=3 17040 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,2,0,0,0,0|1,0,0]=3 17041 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [0,2,0,0,0,0|1,0,0]=3 17042 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [0,2,0,0,0,0|1,0,0]=3 17043 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [0,2,0,0,0,0|1,0,0]=3 17044 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [0,2,0,0,0,0|1,0,0]=3 17045 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [0,2,0,0,0,0|1,0,0]=3 17046 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [0,2,0,0,0,0|1,0,0]=3 17047 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,2,0,0,0,0|1,0,1]=4 17048 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,2,0,0,0,0|1,0,1]=4 17049 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,2,0,0,0,0|1,0,1]=4 17050 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,2,0,0,0,0|1,0,1]=4 17051 B11R0.148 CCCCCCCCNC(C)C 2230a_100000229939_100000210206 [0,2,0,0,0,0|1,0,0]=3 17052 B11R0.148 CCCCCCCCNC(C)C 2230a_100138425928_100000210759 [0,2,0,0,0,0|1,0,0]=3 17053 B11R0.148 CCCCCCCCNC(C)C 34a_100000229939_100000210206 [0,2,0,0,0,0|1,0,0]=3 17054 B11R0.148 CCCCCCCCNC(C)C 34a_100138425928_100000210759 [0,2,0,0,0,0|1,0,0]=3 17055 B11R0.148 CCCCCCCCOC(C)C 34a_100000210232_100000210206 [0,2,0,0,0,0|1,0,0]=3 17056 B11R0.148 CCCCCCCCOC(C)C 34a_100000212225_100000210759 [0,2,0,0,0,0|1,0,0]=3 17057 B11R0.148 CCCCCCCCOC(C)C 7a_100000210232_100000210206 [0,2,0,0,0,0|1,0,0]=3 17058 B11R0.148 CCCCCCCCSC(C)C 62a_100000210206_100000210317 [0,2,0,0,0,0|1,0,0]=3 17059 B11R0.148 CCCCCCCCSC(C)C 62a_100000210759_100000210206 [0,2,0,0,0,0|1,0,0]=3 17060 B11R0.148 CCCCCCCNCC(C)C 2230a_100000210953_100000210681 [0,2,0,0,0,0|1,0,0]=3 17061 B11R0.148 CCCCCCCNCC(C)C 2230a_100000229938_100000210760 [0,2,0,0,0,0|1,0,0]=3 17062 B11R0.148 CCCCCCCNCC(C)C 270004a_100000229938_100000210432 [0,2,0,0,0,0|1,0,0]=3 17063 B11R0.148 CCCCCCCNCC(C)C 34a_100000210953_100000210614 [0,2,0,0,0,0|1,0,0]=3 17064 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [0,2,0,0,0,0|1,0,0]=3 17065 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [0,2,0,0,0,0|1,0,0]=3 17066 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [0,2,0,0,0,0|1,0,0]=3 17067 B11R0.148 CCCCCCCNCC(F)F 2230a_100000229938_100011934356 [0,2,0,0,0,0|2,0,0]=4 17068 B11R0.148 CCCCCCCNCC(F)F 34a_100000765723_100000210614 [0,2,0,0,0,0|2,0,0]=4 17069 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [0,2,0,0,0,0|1,0,0]=3 17070 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,2,0,0,0,0|1,0,1]=4 17071 B11R0.148 CCCCCCCOCC(C)Br 34a_100012180447_100000210614 [0,2,0,0,0,0|1,0,0]=3 17072 B11R0.148 CCCCCCCOCC(C)C 34a_100000210257_100000210614 [0,2,0,0,0,0|1,0,0]=3 17073 B11R0.148 CCCCCCCOCC(C)C 34a_100000210272_100000210624 [0,2,0,0,0,0|1,0,0]=3 17074 B11R0.148 CCCCCCCOCC(C)C 7a_100000210272_100000210760 [0,2,0,0,0,0|1,0,0]=3 17075 B11R0.148 CCCCCCCOCC(C)F 34a_100015925927_100000210614 [0,2,0,0,0,0|1,0,0]=3 17076 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [0,2,0,0,0,0|1,0,0]=3 17077 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [0,2,0,0,0,0|1,0,0]=3 17078 B11R0.148 CCCCCCCOCC(F)F 34a_100000210272_100011934356 [0,2,0,0,0,0|2,0,0]=4 17079 B11R0.148 CCCCCCCOCC(F)F 34a_100000743014_100000210614 [0,2,0,0,0,0|2,0,0]=4 17080 B11R0.148 CCCCCCCOCC(F)F 7a_100000210272_100011934356 [0,2,0,0,0,0|2,0,0]=4 17081 B11R0.148 CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210614 [0,2,0,0,0,0|1,0,0]=3 17082 B11R0.148 CCCCCCCOC[C@@H](C)N 34a_100000737577_100000210614 [0,2,0,0,0,0|1,0,0]=3 17083 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [0,2,0,0,0,0|1,0,0]=3 17084 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [0,2,0,0,0,0|1,0,0]=3 17085 B11R0.148 CCCCCCCSCC(C)C 62a_100000210614_100000210760 [0,2,0,0,0,0|1,0,0]=3 17086 B11R0.148 CCCCCCCSCC(C)C 62a_100000210624_100000210316 [0,2,0,0,0,0|1,0,0]=3 17087 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [0,2,0,0,0,0|1,0,0]=3 17088 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [0,2,0,0,0,0|1,0,0]=3 17089 B11R0.148 CCCCCCCSCC(F)F 62a_100000210614_100011934356 [0,2,0,0,0,0|2,0,0]=4 17090 B11R0.148 CCCCCCCSCC(F)F 62a_100011934356_100000210316 [0,2,0,0,0,0|2,0,0]=4 17091 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [0,2,0,0,0,0|1,0,0]=3 17092 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [0,2,0,0,0,0|1,0,0]=3 17093 B11R0.148 CCCCCCNCCC(C)C 2230a_100000210581_100000210312 [0,2,0,0,0,0|1,0,0]=3 17094 B11R0.148 CCCCCCNCCC(C)C 269862a_100000210581_100000185833 [0,2,0,0,0,0|1,0,0]=3 17095 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [0,2,0,0,0,0|1,0,0]=3 17096 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [0,2,0,0,0,0|1,0,0]=3 17097 B11R0.148 CCCCCCNCOC(C)C 2230a_100000210581_100000709892 [0,2,0,0,0,0|2,0,0]=4 17098 B11R0.148 CCCCCCOCC=C(C)C 34a_100000210259_100000761012 [0,2,0,0,0,0|0,0,2]=4 17099 B11R0.148 CCCCCCOCC=C(C)C 34a_100000753907_100000210314 [0,2,0,0,0,0|0,0,2]=4 17100 B11R0.148 CCCCCCOCC=C(C)C 7a_100000210259_100000761012 [0,2,0,0,0,0|0,0,2]=4 17101 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,2,0,0,0,0|0,0,1]=3 17102 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,2,0,0,0,0|0,0,1]=3 17103 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,2,0,0,0,0|0,0,1]=3 17104 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [0,2,0,0,0,0|1,0,1]=4 17105 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [0,2,0,0,0,0|1,0,1]=4 17106 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [0,2,0,0,0,0|1,0,1]=4 17107 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [0,2,0,0,0,0|1,0,1]=4 17108 B11R0.148 CCCCCCOCCC(C)Br 34a_100009893172_100000210314 [0,2,0,0,0,0|0,0,0]=2 17109 B11R0.148 CCCCCCOCCC(C)C 34a_100000210254_100000210314 [0,2,0,0,0,0|0,0,0]=2 17110 B11R0.148 CCCCCCOCCC(C)C 34a_100000210259_100000210312 [0,2,0,0,0,0|0,0,0]=2 17111 B11R0.148 CCCCCCOCCC(C)C 7a_100000210254_100000210314 [0,2,0,0,0,0|0,0,0]=2 17112 B11R0.148 CCCCCCOCCC(C)C 7a_100000210259_100000210626 [0,2,0,0,0,0|0,0,0]=2 17113 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [0,2,0,0,0,0|0,0,0]=2 17114 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [0,2,0,0,0,0|0,0,0]=2 17115 B11R0.148 CCCCCCOCCC(F)F 34a_100103093639_100000210314 [0,2,0,0,0,0|1,0,0]=3 17116 B11R0.148 CCCCCCOCCN(C)C 7a_100000210259_100000755713 [0,2,0,0,0,0|1,0,0]=3 17117 B11R0.148 CCCCCCOCC[C@@H](C)N 34a_100000706166_100000210314 [0,2,0,0,0,0|0,0,0]=2 17118 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [0,2,0,0,0,0|1,0,1]=4 17119 B11R0.148 CCCCCCOCOC(C)C 34a_100000210259_100000709892 [0,2,0,0,0,0|1,0,0]=3 17120 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,2,0,0,0,0|0,1,1]=4 17121 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,2,0,0,0,0|0,1,1]=4 17122 B11R0.148 CCCCCCSCCC(C)C 62a_100000210312_100000210757 [0,2,0,0,0,0|0,1,0]=3 17123 B11R0.148 CCCCCCSCCC(C)C 62a_100000210314_100000210312 [0,2,0,0,0,0|0,1,0]=3 17124 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [0,2,0,0,0,0|0,1,0]=3 17125 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [0,2,0,0,0,0|0,1,0]=3 17126 B11R0.148 CCCCCCSCCN(C)C 62a_100000210314_100000755713 [0,2,0,0,0,0|1,1,0]=4 17127 B11R0.148 CCCCCCSCOC(C)C 62a_100000210314_100000709892 [0,2,0,0,0,0|1,1,0]=4 17128 B11R0.148 CCCCCCSCOC(C)C 62a_100000709892_100000210757 [0,2,0,0,0,0|1,1,0]=4 17129 B11R0.148 CCCCCNCCC=C(C)C 2230a_100000209983_100011217483 [0,2,0,0,0,0|1,0,1]=4 17130 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [0,2,0,0,0,0|1,0,1]=4 17131 B11R0.148 CCCCCNCCCC(C)C 2230a_100000209983_100011214892 [0,2,0,0,0,0|1,0,0]=3 17132 B11R0.148 CCCCCNCCCC(C)C 2230a_200000737386_100000210326 [0,2,0,0,0,0|1,0,0]=3 17133 B11R0.148 CCCCCNCCCC(C)C 34a_200000737386_100000718602 [0,2,0,0,0,0|1,0,0]=3 17134 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [0,2,0,0,0,0|1,0,0]=3 17135 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [0,2,0,0,0,0|1,0,0]=3 17136 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [0,2,0,0,0,0|1,0,1]=4 17137 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [0,2,0,0,0,0|1,0,1]=4 17138 B11R0.148 CCCCCNCCOC(C)C 2230a_100000209983_100000211751 [0,2,0,0,0,0|1,0,0]=3 17139 B11R0.148 CCCCCNCCOC(C)C 2230a_100000701111_100000210326 [0,2,0,0,0,0|1,0,0]=3 17140 B11R0.148 CCCCCNCCOC(C)C 34a_100000224656_100000210206 [0,2,0,0,0,0|1,0,0]=3 17141 B11R0.148 CCCCCNCCOC(C)C 34a_100000701111_100000718602 [0,2,0,0,0,0|1,0,0]=3 17142 B11R0.148 CCCCCNCCSC(C)C 2230a_100000209983_100000730970 [0,2,0,0,0,0|1,0,0]=3 17143 B11R0.148 CCCCCNCCSC(C)C 2230a_100000731138_100000210326 [0,2,0,0,0,0|1,0,0]=3 17144 B11R0.148 CCCCCNCCSC(C)C 34a_100000731138_100000718602 [0,2,0,0,0,0|1,0,0]=3 17145 B11R0.148 CCCCCNN=CCC(C)C 4a_100000694160_100000185833 [0,2,0,0,0,0|1,0,1]=4 17146 B11R0.148 CCCCCOCCC=C(C)C 34a_100000210253_100011217483 [0,2,0,0,0,0|0,0,1]=3 17147 B11R0.148 CCCCCOCCC=C(C)C 7a_100000210253_100011217483 [0,2,0,0,0,0|0,0,1]=3 17148 B11R0.148 CCCCCOCCC=C(F)F 34a_100000210253_200009816681 [0,2,0,0,0,0|0,0,2]=4 17149 B11R0.148 CCCCCOCCC=C(F)F 7a_100000210253_200009816681 [0,2,0,0,0,0|0,0,2]=4 17150 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,2,0,0,0,0|0,0,0]=2 17151 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,2,0,0,0,0|0,0,0]=2 17152 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,2,0,0,0,0|0,0,0]=2 17153 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,2,0,0,0,0|0,0,0]=2 17154 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [0,2,0,0,0,0|0,0,1]=3 17155 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [0,2,0,0,0,0|0,0,1]=3 17156 B11R0.148 CCCCCOCCCC(C)C 34a_100000210253_100011214892 [0,2,0,0,0,0|0,0,0]=2 17157 B11R0.148 CCCCCOCCCC(C)C 34a_100000210774_100000718602 [0,2,0,0,0,0|0,0,0]=2 17158 B11R0.148 CCCCCOCCCC(C)C 7a_100000210253_100011214892 [0,2,0,0,0,0|0,0,0]=2 17159 B11R0.148 CCCCCOCCCC(C)C 7a_100000210774_100000210326 [0,2,0,0,0,0|0,0,0]=2 17160 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [0,2,0,0,0,0|0,0,0]=2 17161 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [0,2,0,0,0,0|0,0,0]=2 17162 B11R0.148 CCCCCOCCCN(C)C 7a_100000210253_100000757444 [0,2,0,0,0,0|0,0,0]=2 17163 B11R0.148 CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000718602 [0,2,0,0,0,0|1,0,0]=3 17164 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [0,2,0,0,0,0|0,0,1]=3 17165 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [0,2,0,0,0,0|0,0,1]=3 17166 B11R0.148 CCCCCOCCNC(=O)N 34a_100000181757_100000718602 [0,2,0,0,0,0|1,0,1]=4 17167 B11R0.148 CCCCCOCCNC(=O)N 7a_100000210253_200000034859 [0,2,0,0,0,0|1,0,1]=4 17168 B11R0.148 CCCCCOCCNC(C)C 34a_100000224655_100000718602 [0,2,0,0,0,0|0,0,0]=2 17169 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [0,2,0,0,0,0|0,0,1]=3 17170 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [0,2,0,0,0,0|0,0,1]=3 17171 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [0,2,0,0,0,0|1,0,1]=4 17172 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [0,2,0,0,0,0|1,0,1]=4 17173 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [0,2,0,0,0,0|1,0,1]=4 17174 B11R0.148 CCCCCOCCOC(C)C 34a_100000210253_100000211751 [0,2,0,0,0,0|0,0,0]=2 17175 B11R0.148 CCCCCOCCOC(C)C 34a_100000211219_100000718602 [0,2,0,0,0,0|0,0,0]=2 17176 B11R0.148 CCCCCOCCOC(C)C 34a_100011215259_100000210206 [0,2,0,0,0,0|0,0,0]=2 17177 B11R0.148 CCCCCOCCOC(C)C 7a_100000210253_100000211751 [0,2,0,0,0,0|0,0,0]=2 17178 B11R0.148 CCCCCOCCOC(C)C 7a_100000211219_100000210326 [0,2,0,0,0,0|0,0,0]=2 17179 B11R0.148 CCCCCOCCOC(C)C 7a_100011215259_100000210206 [0,2,0,0,0,0|0,0,0]=2 17180 B11R0.148 CCCCCOCCSC(C)C 34a_100000210253_100000730970 [0,2,0,0,0,0|0,0,0]=2 17181 B11R0.148 CCCCCOCCSC(C)C 34a_200011212901_100000718602 [0,2,0,0,0,0|0,0,0]=2 17182 B11R0.148 CCCCCOCCSC(C)C 7a_100000210253_100000730970 [0,2,0,0,0,0|0,0,0]=2 17183 B11R0.148 CCCCCOCCSC(C)C 7a_200011212901_100000210326 [0,2,0,0,0,0|0,0,0]=2 17184 B11R0.148 CCCCCSCCC=C(C)C 62a_100000210326_100011217483 [0,2,0,0,0,0|0,1,1]=4 17185 B11R0.148 CCCCCSCCC=C(C)C 62a_100011217483_100000210326 [0,2,0,0,0,0|0,1,1]=4 17186 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,2,0,0,0,0|0,1,0]=3 17187 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,2,0,0,0,0|0,1,0]=3 17188 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [0,2,0,0,0,0|0,1,1]=4 17189 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [0,2,0,0,0,0|0,1,1]=4 17190 B11R0.148 CCCCCSCCCC(C)C 62a_100000210326_100011214892 [0,2,0,0,0,0|0,1,0]=3 17191 B11R0.148 CCCCCSCCCC(C)C 62a_100011214892_100000210326 [0,2,0,0,0,0|0,1,0]=3 17192 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [0,2,0,0,0,0|0,1,0]=3 17193 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [0,2,0,0,0,0|0,1,0]=3 17194 B11R0.148 CCCCCSCCCN(C)C 62a_100000210326_100000757444 [0,2,0,0,0,0|0,1,0]=3 17195 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [0,2,0,0,0,0|0,1,1]=4 17196 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [0,2,0,0,0,0|0,1,1]=4 17197 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [0,2,0,0,0,0|0,1,1]=4 17198 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [0,2,0,0,0,0|0,1,1]=4 17199 B11R0.148 CCCCCSCCOC(C)C 62a_100000210326_100000211751 [0,2,0,0,0,0|0,1,0]=3 17200 B11R0.148 CCCCCSCCOC(C)C 62a_100000211751_100000210326 [0,2,0,0,0,0|0,1,0]=3 17201 B11R0.148 CCCCCSCCSC(C)C 62a_100000210326_100000730970 [0,2,0,0,0,0|0,1,0]=3 17202 B11R0.148 CCCCCSCCSC(C)C 62a_100000730970_100000210326 [0,2,0,0,0,0|0,1,0]=3 17203 B11R0.148 CCCCNCCCCB(O)O 2230a_100000102301_200009817182 [0,2,0,0,0,0|2,0,0]=4 17204 B11R0.148 CCCCNCCCCB(O)O 7a_106832991798_200009817182 [0,2,0,0,0,0|2,0,0]=4 17205 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,2,0,0,0,0|1,0,0]=3 17206 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [0,2,0,0,0,0|1,0,1]=4 17207 B11R0.148 CCCCNCCCCC(C)C 2230a_100000102301_100011216152 [0,2,0,0,0,0|1,0,0]=3 17208 B11R0.148 CCCCNCCCCC(C)C 7a_106832991798_100011216152 [0,2,0,0,0,0|1,0,0]=3 17209 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [0,2,0,0,0,0|1,0,1]=4 17210 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [0,2,0,0,0,0|1,0,1]=4 17211 B11R0.148 CCCCNCCCOC(=S)C 2230a_100000102301_200135323944 [0,2,0,0,0,0|1,0,1]=4 17212 B11R0.148 CCCCNCCCOC(=S)C 7a_106832991798_200135323944 [0,2,0,0,0,0|1,0,1]=4 17213 B11R0.148 CCCCNCCCOC(C)C 2230a_100000737246_100000210211 [0,2,0,0,0,0|1,0,0]=3 17214 B11R0.148 CCCCNCCCOC(C)C 34a_100000737246_100000210210 [0,2,0,0,0,0|1,0,0]=3 17215 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [0,2,0,0,0,0|1,0,1]=4 17216 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [0,2,0,0,0,0|1,0,1]=4 17217 B11R0.148 CCCCNCCOCC(F)F 2230a_100000102301_200012177212 [0,2,0,0,0,0|2,0,0]=4 17218 B11R0.148 CCCCNCCOCC(F)F 7a_106832991798_200012177212 [0,2,0,0,0,0|2,0,0]=4 17219 B11R0.148 CCCCOCCCCB(O)O 34a_100000210227_200009817182 [0,2,0,0,0,0|1,0,0]=3 17220 B11R0.148 CCCCOCCCCB(O)O 7a_100000210227_200009817182 [0,2,0,0,0,0|1,0,0]=3 17221 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,2,0,0,0,0|0,0,0]=2 17222 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,2,0,0,0,0|0,0,0]=2 17223 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [0,2,0,0,0,0|0,0,1]=3 17224 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [0,2,0,0,0,0|0,0,1]=3 17225 B11R0.148 CCCCOCCCCC(C)C 34a_100000210227_100011216152 [0,2,0,0,0,0|0,0,0]=2 17226 B11R0.148 CCCCOCCCCC(C)C 34a_100011214890_100000210210 [0,2,0,0,0,0|0,0,0]=2 17227 B11R0.148 CCCCOCCCCC(C)C 7a_100000210227_100011216152 [0,2,0,0,0,0|0,0,0]=2 17228 B11R0.148 CCCCOCCCCC(C)C 7a_100011214890_100000210211 [0,2,0,0,0,0|0,0,0]=2 17229 B11R0.148 CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210210 [0,2,0,0,0,0|1,0,0]=3 17230 B11R0.148 CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210211 [0,2,0,0,0,0|1,0,0]=3 17231 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [0,2,0,0,0,0|0,0,1]=3 17232 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [0,2,0,0,0,0|0,0,1]=3 17233 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [0,2,0,0,0,0|0,0,1]=3 17234 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [0,2,0,0,0,0|0,0,1]=3 17235 B11R0.148 CCCCOCCCNC(C)C 2230a_200000211371_100000210206 [0,2,0,0,0,0|0,0,0]=2 17236 B11R0.148 CCCCOCCCNC(C)C 34a_100000182298_100000210210 [0,2,0,0,0,0|0,0,0]=2 17237 B11R0.148 CCCCOCCCNC(C)C 34a_200000211371_100000210206 [0,2,0,0,0,0|0,0,0]=2 17238 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [0,2,0,0,0,0|0,0,1]=3 17239 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [0,2,0,0,0,0|0,0,1]=3 17240 B11R0.148 CCCCOCCCOC(=S)C 34a_100000210227_200135323944 [0,2,0,0,0,0|0,0,1]=3 17241 B11R0.148 CCCCOCCCOC(=S)C 7a_100000210227_200135323944 [0,2,0,0,0,0|0,0,1]=3 17242 B11R0.148 CCCCOCCCOC(C)C 34a_200011215613_100000210206 [0,2,0,0,0,0|0,0,0]=2 17243 B11R0.148 CCCCOCCCOC(C)C 7a_200011215613_100000210206 [0,2,0,0,0,0|0,0,0]=2 17244 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [0,2,0,0,0,0|0,0,1]=3 17245 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [0,2,0,0,0,0|0,0,1]=3 17246 B11R0.148 CCCCOCCNCC(=O)N 2230a_100000711301_100000743108 [0,2,0,0,0,0|1,0,1]=4 17247 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,2,0,0,0,0|1,0,1]=4 17248 B11R0.148 CCCCOCCNCC(C)C 2230a_100000210953_100000743108 [0,2,0,0,0,0|0,0,0]=2 17249 B11R0.148 CCCCOCCNCC(C)C 34a_100000210953_100000743108 [0,2,0,0,0,0|0,0,0]=2 17250 B11R0.148 CCCCOCCNCC(C)C 34a_100015185251_100000210210 [0,2,0,0,0,0|0,0,0]=2 17251 B11R0.148 CCCCOCCNCC(C)O 2230a_100000210904_100000743108 [0,2,0,0,0,0|0,0,0]=2 17252 B11R0.148 CCCCOCCNCC(C)O 34a_100000210904_100000743108 [0,2,0,0,0,0|0,0,0]=2 17253 B11R0.148 CCCCOCCNCC(F)F 34a_100000765723_100000743108 [0,2,0,0,0,0|1,0,0]=3 17254 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [0,2,0,0,0,0|0,0,1]=3 17255 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [0,2,0,0,0,0|0,0,1]=3 17256 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210227_100000076697 [0,2,0,0,0,0|1,0,1]=4 17257 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210238_100000187820 [0,2,0,0,0,0|1,0,1]=4 17258 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210227_100000076697 [0,2,0,0,0,0|1,0,1]=4 17259 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210238_100000187820 [0,2,0,0,0,0|1,0,1]=4 17260 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [0,2,0,0,0,0|0,0,1]=3 17261 B11R0.148 CCCCOCCOCC(=O)[O-] 34a_100000210238_100020667443 [0,2,0,0,0,0|1,0,1]=4 17262 B11R0.148 CCCCOCCOCC(C)Br 34a_100012180447_100000743108 [0,2,0,0,0,0|0,0,0]=2 17263 B11R0.148 CCCCOCCOCC(C)C 34a_100000210238_100000210624 [0,2,0,0,0,0|0,0,0]=2 17264 B11R0.148 CCCCOCCOCC(C)C 34a_100000210257_100000743108 [0,2,0,0,0,0|0,0,0]=2 17265 B11R0.148 CCCCOCCOCC(C)C 34a_100000703358_100000210210 [0,2,0,0,0,0|0,0,0]=2 17266 B11R0.148 CCCCOCCOCC(C)C 7a_100000210238_100000210760 [0,2,0,0,0,0|0,0,0]=2 17267 B11R0.148 CCCCOCCOCC(C)C 7a_100000703358_100000210211 [0,2,0,0,0,0|0,0,0]=2 17268 B11R0.148 CCCCOCCOCC(C)F 34a_100015925927_100000743108 [0,2,0,0,0,0|0,0,0]=2 17269 B11R0.148 CCCCOCCOCC(C)O 34a_100000210238_100011218427 [0,2,0,0,0,0|0,0,0]=2 17270 B11R0.148 CCCCOCCOCC(C)O 7a_100000210238_100011218427 [0,2,0,0,0,0|0,0,0]=2 17271 B11R0.148 CCCCOCCOCC(F)F 34a_100000210227_200012177212 [0,2,0,0,0,0|1,0,0]=3 17272 B11R0.148 CCCCOCCOCC(F)F 34a_100000210238_100011934356 [0,2,0,0,0,0|1,0,0]=3 17273 B11R0.148 CCCCOCCOCC(F)F 34a_100000704375_100000210210 [0,2,0,0,0,0|1,0,0]=3 17274 B11R0.148 CCCCOCCOCC(F)F 34a_100000743014_100000743108 [0,2,0,0,0,0|1,0,0]=3 17275 B11R0.148 CCCCOCCOCC(F)F 7a_100000210227_200012177212 [0,2,0,0,0,0|1,0,0]=3 17276 B11R0.148 CCCCOCCOCC(F)F 7a_100000210238_100011934356 [0,2,0,0,0,0|1,0,0]=3 17277 B11R0.148 CCCCOCCOCC(F)F 7a_100000704375_100000210211 [0,2,0,0,0,0|1,0,0]=3 17278 B11R0.148 CCCCOCCOC[C@@H](C)Cl 34a_100016084084_100000743108 [0,2,0,0,0,0|0,0,0]=2 17279 B11R0.148 CCCCOCCOC[C@@H](C)N 34a_100000737577_100000743108 [0,2,0,0,0,0|0,0,0]=2 17280 B11R0.148 CCCCOCCOC[C@@H](C)O 34a_100000210238_100009817552 [0,2,0,0,0,0|0,0,0]=2 17281 B11R0.148 CCCCOCCOC[C@@H](C)O 7a_100000210238_100009817552 [0,2,0,0,0,0|0,0,0]=2 17282 B11R0.148 CCCCOCCOC[N+](=O)[O-] 34a_100000210238_100000761209 [0,2,0,0,0,0|2,0,0]=4 17283 B11R0.148 CCCCOCCSCC(=O)N 62a_100000743108_100000747473 [0,2,0,0,0,0|1,0,1]=4 17284 B11R0.148 CCCCOCCSCC(=O)N 62a_100000747473_100000743108 [0,2,0,0,0,0|1,0,1]=4 17285 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100000743108_100020667443 [0,2,0,0,0,0|1,0,1]=4 17286 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100020667443_100000743108 [0,2,0,0,0,0|1,0,1]=4 17287 B11R0.148 CCCCOCCSCC(C)C 34a_200000230437_100000210210 [0,2,0,0,0,0|0,0,0]=2 17288 B11R0.148 CCCCOCCSCC(C)C 62a_100000210624_100000743108 [0,2,0,0,0,0|0,0,0]=2 17289 B11R0.148 CCCCOCCSCC(C)C 62a_100000743108_100000210760 [0,2,0,0,0,0|0,0,0]=2 17290 B11R0.148 CCCCOCCSCC(C)C 7a_200000230437_100000210211 [0,2,0,0,0,0|0,0,0]=2 17291 B11R0.148 CCCCOCCSCC(C)O 62a_100000743108_100011218427 [0,2,0,0,0,0|0,0,0]=2 17292 B11R0.148 CCCCOCCSCC(C)O 62a_100011218427_100000743108 [0,2,0,0,0,0|0,0,0]=2 17293 B11R0.148 CCCCOCCSCC(F)F 62a_100000743108_100011934356 [0,2,0,0,0,0|1,0,0]=3 17294 B11R0.148 CCCCOCCSCC(F)F 62a_100011934356_100000743108 [0,2,0,0,0,0|1,0,0]=3 17295 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100000743108_100009817552 [0,2,0,0,0,0|0,0,0]=2 17296 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100009817552_100000743108 [0,2,0,0,0,0|0,0,0]=2 17297 B11R0.148 CCCCOCCSC[N+](=O)[O-] 62a_100000743108_100000761209 [0,2,0,0,0,0|2,0,0]=4 17298 B11R0.148 CCCCOCNCC=C(C)C 34a_100000718196_100011995733 [0,2,0,0,0,0|0,0,2]=4 17299 B11R0.148 CCCCOCNCCC(C)O 2230a_200000755665_100011995733 [0,2,0,0,0,0|0,0,0]=2 17300 B11R0.148 CCCCOCOCC=C(C)C 34a_100000753907_100011995733 [0,2,0,0,0,0|0,0,2]=4 17301 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [0,2,0,0,0,0|0,0,1]=3 17302 B11R0.148 CCCCOCOCCC(=O)N 34a_100000757172_100011995733 [0,2,0,0,0,0|1,0,1]=4 17303 B11R0.148 CCCCOCOCCC(C)Br 34a_100009893172_100011995733 [0,2,0,0,0,0|0,0,0]=2 17304 B11R0.148 CCCCOCOCCC(C)C 34a_100000210254_100011995733 [0,2,0,0,0,0|0,0,0]=2 17305 B11R0.148 CCCCOCOCCC(F)F 34a_100103093639_100011995733 [0,2,0,0,0,0|1,0,0]=3 17306 B11R0.148 CCCCOCOCC[C@@H](C)N 34a_100000706166_100011995733 [0,2,0,0,0,0|0,0,0]=2 17307 B11R0.148 CCCCOCSCC=C(C)C 62a_100000761012_100011995733 [0,2,0,0,0,0|0,0,2]=4 17308 B11R0.148 CCCCOCSCC=C(C)C 62a_100011995733_100000761012 [0,2,0,0,0,0|0,0,2]=4 17309 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [0,2,0,0,0,0|0,0,1]=3 17310 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [0,2,0,0,0,0|0,0,1]=3 17311 B11R0.148 CCCCOCSCCC(=O)N 62a_100000744528_100011995733 [0,2,0,0,0,0|1,0,1]=4 17312 B11R0.148 CCCCOCSCCC(=O)N 62a_100011995733_100000744528 [0,2,0,0,0,0|1,0,1]=4 17313 B11R0.148 CCCCOCSCCC(C)C 62a_100000210312_100011995733 [0,2,0,0,0,0|0,0,0]=2 17314 B11R0.148 CCCCOCSCCC(C)C 62a_100011995733_100000210312 [0,2,0,0,0,0|0,0,0]=2 17315 B11R0.148 CCCCOCSCCC(C)O 62a_100011995733_100012276601 [0,2,0,0,0,0|0,0,0]=2 17316 B11R0.148 CCCCOCSCCC(C)O 62a_100012276601_100011995733 [0,2,0,0,0,0|0,0,0]=2 17317 B11R0.148 CCCCOCSCCN(C)C 62a_100011995733_100000755713 [0,2,0,0,0,0|1,0,0]=3 17318 B11R0.148 CCCCOCSCOC(=O)C 62a_100000076356_100011995733 [0,2,0,0,0,0|1,0,1]=4 17319 B11R0.148 CCCCOCSCOC(=O)C 62a_100011995733_100000076356 [0,2,0,0,0,0|1,0,1]=4 17320 B11R0.148 CCCCOCSCOC(C)C 62a_100000709892_100011995733 [0,2,0,0,0,0|1,0,0]=3 17321 B11R0.148 CCCCOCSCOC(C)C 62a_100011995733_100000709892 [0,2,0,0,0,0|1,0,0]=3 17322 B11R0.148 CCCCSCCCCB(O)O 62a_100000210211_200009817182 [0,2,0,0,0,0|1,1,0]=4 17323 B11R0.148 CCCCSCCCCB(O)O 62a_200009817182_100000210210 [0,2,0,0,0,0|1,1,0]=4 17324 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,2,0,0,0,0|0,1,0]=3 17325 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,2,0,0,0,0|0,1,0]=3 17326 B11R0.148 CCCCSCCCCC(C)C 62a_100000210211_100011216152 [0,2,0,0,0,0|0,1,0]=3 17327 B11R0.148 CCCCSCCCCC(C)C 62a_100011216152_100000210210 [0,2,0,0,0,0|0,1,0]=3 17328 B11R0.148 CCCCSCCCCN(C)C 62a_100000210211_100000690147 [0,2,0,0,0,0|0,1,0]=3 17329 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [0,2,0,0,0,0|0,1,1]=4 17330 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [0,2,0,0,0,0|0,1,1]=4 17331 B11R0.148 CCCCSCCCOC(=S)C 62a_100000210211_200135323944 [0,2,0,0,0,0|0,1,1]=4 17332 B11R0.148 CCCCSCCCOC(=S)C 62a_200135323944_100000210210 [0,2,0,0,0,0|0,1,1]=4 17333 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [0,2,0,0,0,0|0,1,1]=4 17334 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [0,2,0,0,0,0|0,1,1]=4 17335 B11R0.148 CCCCSCCNCC(C)C 2230a_100025743550_100000210760 [0,2,0,0,0,0|0,1,0]=3 17336 B11R0.148 CCCCSCCNCC(C)C 270004a_100025743550_100000210432 [0,2,0,0,0,0|0,1,0]=3 17337 B11R0.148 CCCCSCCNCC(C)O 2230a_100025743550_100011218427 [0,2,0,0,0,0|0,1,0]=3 17338 B11R0.148 CCCCSCCNCC(F)F 2230a_100025743550_100011934356 [0,2,0,0,0,0|1,1,0]=4 17339 B11R0.148 CCCCSCCNC[C@@H](C)O 2230a_100025743550_100009817552 [0,2,0,0,0,0|0,1,0]=3 17340 B11R0.148 CCCCSCCOCC(C)C 34a_200000230436_100000210624 [0,2,0,0,0,0|0,1,0]=3 17341 B11R0.148 CCCCSCCOCC(C)C 7a_200000230436_100000210760 [0,2,0,0,0,0|0,1,0]=3 17342 B11R0.148 CCCCSCCOCC(C)O 34a_200000230436_100011218427 [0,2,0,0,0,0|0,1,0]=3 17343 B11R0.148 CCCCSCCOCC(C)O 7a_200000230436_100011218427 [0,2,0,0,0,0|0,1,0]=3 17344 B11R0.148 CCCCSCCOCC(F)F 34a_200000230436_100011934356 [0,2,0,0,0,0|1,1,0]=4 17345 B11R0.148 CCCCSCCOCC(F)F 62a_100000210211_200012177212 [0,2,0,0,0,0|1,1,0]=4 17346 B11R0.148 CCCCSCCOCC(F)F 62a_200012177212_100000210210 [0,2,0,0,0,0|1,1,0]=4 17347 B11R0.148 CCCCSCCOCC(F)F 7a_200000230436_100011934356 [0,2,0,0,0,0|1,1,0]=4 17348 B11R0.148 CCCCSCCOC[C@@H](C)O 34a_200000230436_100009817552 [0,2,0,0,0,0|0,1,0]=3 17349 B11R0.148 CCCCSCCOC[C@@H](C)O 7a_200000230436_100009817552 [0,2,0,0,0,0|0,1,0]=3 17350 B11R0.148 CCCNCCCCCC(C)C 2230a_100011290863_100000210303 [0,2,0,0,0,0|1,0,0]=3 17351 B11R0.148 CCCNCCCCCC(C)C 34a_100011290863_100000210303 [0,2,0,0,0,0|1,0,0]=3 17352 B11R0.148 CCCNCCCOCC(C)C 2230a_100000205972_100000210303 [0,2,0,0,0,0|2,0,0]=4 17353 B11R0.148 CCCNCCCOCC(C)C 34a_100000205972_100000210303 [0,2,0,0,0,0|2,0,0]=4 17354 B11R0.148 CCCOCCCCCC(C)C 34a_100000210258_100000210682 [0,2,0,0,0,0|1,0,0]=3 17355 B11R0.148 CCCOCCCCCC(C)C 34a_100011995859_100000210303 [0,2,0,0,0,0|1,0,0]=3 17356 B11R0.148 CCCOCCCCCC(C)C 7a_100011995859_100000210303 [0,2,0,0,0,0|1,0,0]=3 17357 B11R0.148 CCCOCCCCNC(C)C 34a_100011521146_100000210303 [0,2,0,0,0,0|2,0,0]=4 17358 B11R0.148 CCCOCCCNCC(C)C 2230a_100011217757_100000210760 [0,2,0,0,0,0|2,0,0]=4 17359 B11R0.148 CCCOCCCNCC(C)C 270004a_100011217757_100000210432 [0,2,0,0,0,0|2,0,0]=4 17360 B11R0.148 CCCOCCCNCC(C)C 34a_100011217757_100000210624 [0,2,0,0,0,0|2,0,0]=4 17361 B11R0.148 CCCOCCCNCC(C)O 2230a_100011217757_100011218427 [0,2,0,0,0,0|2,0,0]=4 17362 B11R0.148 CCCOCCCNCC(C)O 34a_100011217757_100011218427 [0,2,0,0,0,0|2,0,0]=4 17363 B11R0.148 CCCOCCCNC[C@@H](C)O 2230a_100011217757_100009817552 [0,2,0,0,0,0|2,0,0]=4 17364 B11R0.148 CCCOCCCNC[C@@H](C)O 34a_100011217757_100009817552 [0,2,0,0,0,0|2,0,0]=4 17365 B11R0.148 CCCOCCNCCC(C)C 2230a_100161115042_100000210312 [0,2,0,0,0,0|1,0,0]=3 17366 B11R0.148 CCCOCCNCCC(C)C 269862a_100161115042_100000185833 [0,2,0,0,0,0|1,0,0]=3 17367 B11R0.148 CCCOCCNCCC(C)C 34a_100161115042_100000210312 [0,2,0,0,0,0|1,0,0]=3 17368 B11R0.148 CCCOCCNCCC(C)O 2230a_100161115042_100012276601 [0,2,0,0,0,0|1,0,0]=3 17369 B11R0.148 CCCOCCNCCC(C)O 2230a_200000755665_100011215938 [0,2,0,0,0,0|1,0,0]=3 17370 B11R0.148 CCCOCCNCCC(C)O 34a_100161115042_100012276601 [0,2,0,0,0,0|1,0,0]=3 17371 B11R0.148 CCCOCCNCOC(C)C 2230a_100161115042_100000709892 [0,2,0,0,0,0|2,0,0]=4 17372 B11R0.148 CCCOCCNCOC(C)C 34a_100161115042_100000709892 [0,2,0,0,0,0|2,0,0]=4 17373 B11R0.148 CCCOCCOCC=C(C)C 34a_100000752267_100000761012 [0,2,0,0,0,0|0,0,2]=4 17374 B11R0.148 CCCOCCOCC=C(C)C 34a_100000753907_100011215938 [0,2,0,0,0,0|0,0,2]=4 17375 B11R0.148 CCCOCCOCC=C(C)C 7a_100000752267_100000761012 [0,2,0,0,0,0|0,0,2]=4 17376 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [0,2,0,0,0,0|0,0,1]=3 17377 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [0,2,0,0,0,0|0,0,1]=3 17378 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [0,2,0,0,0,0|0,0,1]=3 17379 B11R0.148 CCCOCCOCCC(=O)N 34a_100000752267_100000731001 [0,2,0,0,0,0|1,0,1]=4 17380 B11R0.148 CCCOCCOCCC(=O)N 34a_100000757172_100011215938 [0,2,0,0,0,0|1,0,1]=4 17381 B11R0.148 CCCOCCOCCC(=O)N 7a_100000752267_100000744528 [0,2,0,0,0,0|1,0,1]=4 17382 B11R0.148 CCCOCCOCCC(=O)N 7a_100000757172_100011215938 [0,2,0,0,0,0|1,0,1]=4 17383 B11R0.148 CCCOCCOCCC(C)Br 34a_100009893172_100011215938 [0,2,0,0,0,0|0,0,0]=2 17384 B11R0.148 CCCOCCOCCC(C)C 34a_100000210254_100011215938 [0,2,0,0,0,0|0,0,0]=2 17385 B11R0.148 CCCOCCOCCC(C)C 34a_100000752267_100000210312 [0,2,0,0,0,0|0,0,0]=2 17386 B11R0.148 CCCOCCOCCC(C)C 7a_100000210254_100011215938 [0,2,0,0,0,0|0,0,0]=2 17387 B11R0.148 CCCOCCOCCC(C)C 7a_100000752267_100000210626 [0,2,0,0,0,0|0,0,0]=2 17388 B11R0.148 CCCOCCOCCC(C)O 34a_100000752267_100012276601 [0,2,0,0,0,0|0,0,0]=2 17389 B11R0.148 CCCOCCOCCC(C)O 7a_100000752267_100012276601 [0,2,0,0,0,0|0,0,0]=2 17390 B11R0.148 CCCOCCOCCC(F)F 34a_100103093639_100011215938 [0,2,0,0,0,0|1,0,0]=3 17391 B11R0.148 CCCOCCOCCN(C)C 7a_100000752267_100000755713 [0,2,0,0,0,0|1,0,0]=3 17392 B11R0.148 CCCOCCOCC[C@@H](C)N 34a_100000706166_100011215938 [0,2,0,0,0,0|0,0,0]=2 17393 B11R0.148 CCCOCCOCOC(=O)C 34a_100000752267_100009813279 [0,2,0,0,0,0|1,0,1]=4 17394 B11R0.148 CCCOCCOCOC(C)C 34a_100000752267_100000709892 [0,2,0,0,0,0|1,0,0]=3 17395 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [0,2,0,0,0,0|0,1,1]=4 17396 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [0,2,0,0,0,0|0,1,1]=4 17397 B11R0.148 CCCOCCSCCC(C)C 62a_100000210312_100011215938 [0,2,0,0,0,0|0,1,0]=3 17398 B11R0.148 CCCOCCSCCC(C)C 62a_100011215938_100000210312 [0,2,0,0,0,0|0,1,0]=3 17399 B11R0.148 CCCOCCSCCC(C)O 62a_100011215938_100012276601 [0,2,0,0,0,0|0,1,0]=3 17400 B11R0.148 CCCOCCSCCC(C)O 62a_100012276601_100011215938 [0,2,0,0,0,0|0,1,0]=3 17401 B11R0.148 CCCOCCSCCN(C)C 62a_100011215938_100000755713 [0,2,0,0,0,0|1,1,0]=4 17402 B11R0.148 CCCOCCSCOC(C)C 62a_100000709892_100011215938 [0,2,0,0,0,0|1,1,0]=4 17403 B11R0.148 CCCOCCSCOC(C)C 62a_100011215938_100000709892 [0,2,0,0,0,0|1,1,0]=4 17404 B11R0.148 CCCOCOCCOC(=O)C 34a_100000210258_100000076355 [0,2,0,0,0,0|1,0,1]=4 17405 B11R0.148 CCCSCCCCCC(C)C 62a_100000210303_100000210682 [0,2,0,0,0,0|1,0,0]=3 17406 B11R0.148 CCCSCCCCCC(C)C 62a_100000210682_100000210303 [0,2,0,0,0,0|1,0,0]=3 17407 B11R0.148 CCCSCCNCCC(C)C 2230a_100020603323_100000210312 [0,2,0,0,0,0|1,0,0]=3 17408 B11R0.148 CCCSCCNCCC(C)C 269862a_100020603323_100000185833 [0,2,0,0,0,0|1,0,0]=3 17409 B11R0.148 CCCSCCNCCC(C)O 2230a_100020603323_100012276601 [0,2,0,0,0,0|1,0,0]=3 17410 B11R0.148 CCCSCCNCOC(C)C 2230a_100020603323_100000709892 [0,2,0,0,0,0|2,0,0]=4 17411 B11R0.148 CCCSCCOCC=C(C)C 34a_200000230433_100000761012 [0,2,0,0,0,0|0,0,2]=4 17412 B11R0.148 CCCSCCOCC=C(C)C 7a_200000230433_100000761012 [0,2,0,0,0,0|0,0,2]=4 17413 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [0,2,0,0,0,0|0,0,1]=3 17414 B11R0.148 CCCSCCOCCC(=O)N 34a_200000230433_100000731001 [0,2,0,0,0,0|1,0,1]=4 17415 B11R0.148 CCCSCCOCCC(=O)N 7a_200000230433_100000744528 [0,2,0,0,0,0|1,0,1]=4 17416 B11R0.148 CCCSCCOCCC(C)C 34a_200000230433_100000210312 [0,2,0,0,0,0|0,0,0]=2 17417 B11R0.148 CCCSCCOCCC(C)C 7a_200000230433_100000210626 [0,2,0,0,0,0|0,0,0]=2 17418 B11R0.148 CCCSCCOCCC(C)O 34a_200000230433_100012276601 [0,2,0,0,0,0|0,0,0]=2 17419 B11R0.148 CCCSCCOCCC(C)O 7a_200000230433_100012276601 [0,2,0,0,0,0|0,0,0]=2 17420 B11R0.148 CCCSCCOCCN(C)C 7a_200000230433_100000755713 [0,2,0,0,0,0|1,0,0]=3 17421 B11R0.148 CCCSCCOCOC(=O)C 34a_200000230433_100009813279 [0,2,0,0,0,0|1,0,1]=4 17422 B11R0.148 CCCSCCOCOC(C)C 34a_200000230433_100000709892 [0,2,0,0,0,0|1,0,0]=3 17423 B11R0.148 CCCSCOCCOC(=O)C 62a_100000076355_100000210303 [0,2,0,0,0,0|1,0,1]=4 17424 B11R0.148 CCCSCOCCOC(=O)C 62a_100000210303_100000076355 [0,2,0,0,0,0|1,0,1]=4 17425 B11R0.148 CCNCCCCCCC(C)C 2230a_100000211014_100000210202 [0,2,0,0,0,0|1,0,0]=3 17426 B11R0.148 CCNCCCCCCC(C)C 34a_100000211014_100000210202 [0,2,0,0,0,0|1,0,0]=3 17427 B11R0.148 CCNCCOCCOC(=O)C 2230a_100015525214_200000083610 [0,2,0,0,0,0|1,0,1]=4 17428 B11R0.148 CCOCCCCCNC(C)C 34a_100011629493_100000210202 [0,2,0,0,0,0|2,0,0]=4 17429 B11R0.148 CCOCCCNCCC(C)C 2230a_100000210961_100000210312 [0,2,0,0,0,0|1,0,0]=3 17430 B11R0.148 CCOCCCNCCC(C)C 269862a_100000210961_100000185833 [0,2,0,0,0,0|1,0,0]=3 17431 B11R0.148 CCOCCCNCCC(C)C 34a_100000210961_100000210312 [0,2,0,0,0,0|1,0,0]=3 17432 B11R0.148 CCOCCCNCCC(C)O 2230a_100000210961_100012276601 [0,2,0,0,0,0|1,0,0]=3 17433 B11R0.148 CCOCCCNCCC(C)O 2230a_200000755665_100012232248 [0,2,0,0,0,0|1,0,0]=3 17434 B11R0.148 CCOCCCNCCC(C)O 34a_100000210961_100012276601 [0,2,0,0,0,0|1,0,0]=3 17435 B11R0.148 CCOCCCNCOC(C)C 2230a_100000210961_100000709892 [0,2,0,0,0,0|2,0,0]=4 17436 B11R0.148 CCOCCCNCOC(C)C 34a_100000210961_100000709892 [0,2,0,0,0,0|2,0,0]=4 17437 B11R0.148 CCOCCCOCC=C(C)C 34a_100000753907_100012232248 [0,2,0,0,0,0|0,0,2]=4 17438 B11R0.148 CCOCCCOCC=C(C)C 34a_100000757476_100000761012 [0,2,0,0,0,0|0,0,2]=4 17439 B11R0.148 CCOCCCOCC=C(C)C 7a_100000757476_100000761012 [0,2,0,0,0,0|0,0,2]=4 17440 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [0,2,0,0,0,0|0,0,1]=3 17441 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [0,2,0,0,0,0|0,0,1]=3 17442 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [0,2,0,0,0,0|0,0,1]=3 17443 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757172_100012232248 [0,2,0,0,0,0|1,0,1]=4 17444 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757476_100000731001 [0,2,0,0,0,0|1,0,1]=4 17445 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757172_100012232248 [0,2,0,0,0,0|1,0,1]=4 17446 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757476_100000744528 [0,2,0,0,0,0|1,0,1]=4 17447 B11R0.148 CCOCCCOCCC(C)Br 34a_100009893172_100012232248 [0,2,0,0,0,0|0,0,0]=2 17448 B11R0.148 CCOCCCOCCC(C)C 34a_100000210254_100012232248 [0,2,0,0,0,0|0,0,0]=2 17449 B11R0.148 CCOCCCOCCC(C)C 34a_100000757476_100000210312 [0,2,0,0,0,0|0,0,0]=2 17450 B11R0.148 CCOCCCOCCC(C)C 7a_100000210254_100012232248 [0,2,0,0,0,0|0,0,0]=2 17451 B11R0.148 CCOCCCOCCC(C)C 7a_100000757476_100000210626 [0,2,0,0,0,0|0,0,0]=2 17452 B11R0.148 CCOCCCOCCC(C)O 34a_100000757476_100012276601 [0,2,0,0,0,0|0,0,0]=2 17453 B11R0.148 CCOCCCOCCC(C)O 7a_100000757476_100012276601 [0,2,0,0,0,0|0,0,0]=2 17454 B11R0.148 CCOCCCOCCC(F)F 34a_100103093639_100012232248 [0,2,0,0,0,0|1,0,0]=3 17455 B11R0.148 CCOCCCOCCN(C)C 7a_100000757476_100000755713 [0,2,0,0,0,0|1,0,0]=3 17456 B11R0.148 CCOCCCOCC[C@@H](C)N 34a_100000706166_100012232248 [0,2,0,0,0,0|0,0,0]=2 17457 B11R0.148 CCOCCCOCOC(=O)C 34a_100000757476_100009813279 [0,2,0,0,0,0|1,0,1]=4 17458 B11R0.148 CCOCCCOCOC(C)C 34a_100000757476_100000709892 [0,2,0,0,0,0|1,0,0]=3 17459 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [0,2,0,0,0,0|0,1,1]=4 17460 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [0,2,0,0,0,0|0,1,1]=4 17461 B11R0.148 CCOCCCSCCC(C)C 62a_100000210312_100012232248 [0,2,0,0,0,0|0,1,0]=3 17462 B11R0.148 CCOCCCSCCC(C)C 62a_100012232248_100000210312 [0,2,0,0,0,0|0,1,0]=3 17463 B11R0.148 CCOCCCSCCC(C)O 62a_100012232248_100012276601 [0,2,0,0,0,0|0,1,0]=3 17464 B11R0.148 CCOCCCSCCC(C)O 62a_100012276601_100012232248 [0,2,0,0,0,0|0,1,0]=3 17465 B11R0.148 CCOCCCSCCN(C)C 62a_100012232248_100000755713 [0,2,0,0,0,0|1,1,0]=4 17466 B11R0.148 CCOCCCSCOC(C)C 62a_100000709892_100012232248 [0,2,0,0,0,0|1,1,0]=4 17467 B11R0.148 CCOCCCSCOC(C)C 62a_100012232248_100000709892 [0,2,0,0,0,0|1,1,0]=4 17468 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [0,2,0,0,0,0|1,0,1]=4 17469 B11R0.148 CCOCCNCCCC(C)C 2230a_102516460346_100011214892 [0,2,0,0,0,0|1,0,0]=3 17470 B11R0.148 CCOCCNCCCC(C)C 2230a_200000737386_100011215890 [0,2,0,0,0,0|1,0,0]=3 17471 B11R0.148 CCOCCNCCCC(C)C 34a_102516460346_100011214892 [0,2,0,0,0,0|1,0,0]=3 17472 B11R0.148 CCOCCNCCCC(C)C 34a_200000737386_100000210147 [0,2,0,0,0,0|1,0,0]=3 17473 B11R0.148 CCOCCNCCCC(C)O 2230a_102516460346_200000718107 [0,2,0,0,0,0|1,0,0]=3 17474 B11R0.148 CCOCCNCCCC(C)O 34a_102516460346_200000718107 [0,2,0,0,0,0|1,0,0]=3 17475 B11R0.148 CCOCCNCCCS(=O)C 2230a_200000753449_100011215890 [0,2,0,0,0,0|2,0,0]=4 17476 B11R0.148 CCOCCNCCOC(C)C 2230a_100000701111_100011215890 [0,2,0,0,0,0|2,0,0]=4 17477 B11R0.148 CCOCCNCCOC(C)C 2230a_102516460346_100000211751 [0,2,0,0,0,0|2,0,0]=4 17478 B11R0.148 CCOCCNCCOC(C)C 34a_100000701111_100000210147 [0,2,0,0,0,0|2,0,0]=4 17479 B11R0.148 CCOCCNCCOC(C)C 34a_102516460346_100000211751 [0,2,0,0,0,0|2,0,0]=4 17480 B11R0.148 CCOCCNCCSC(C)C 2230a_100000731138_100011215890 [0,2,0,0,0,0|2,0,0]=4 17481 B11R0.148 CCOCCNCCSC(C)C 2230a_102516460346_100000730970 [0,2,0,0,0,0|2,0,0]=4 17482 B11R0.148 CCOCCNCCSC(C)C 34a_100000731138_100000210147 [0,2,0,0,0,0|2,0,0]=4 17483 B11R0.148 CCOCCNCCSC(C)C 34a_102516460346_100000730970 [0,2,0,0,0,0|2,0,0]=4 17484 B11R0.148 CCOCCOCCC=C(C)C 34a_100000210136_100011217483 [0,2,0,0,0,0|0,0,2]=4 17485 B11R0.148 CCOCCOCCC=C(C)C 7a_100000210136_100011217483 [0,2,0,0,0,0|0,0,2]=4 17486 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [0,2,0,0,0,0|0,0,1]=3 17487 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [0,2,0,0,0,0|0,0,1]=3 17488 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [0,2,0,0,0,0|0,0,1]=3 17489 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [0,2,0,0,0,0|0,0,1]=3 17490 B11R0.148 CCOCCOCCCC(=O)N 34a_100000210136_100102525003 [0,2,0,0,0,0|1,0,1]=4 17491 B11R0.148 CCOCCOCCCC(=O)N 7a_100000210136_100102525003 [0,2,0,0,0,0|1,0,1]=4 17492 B11R0.148 CCOCCOCCCC(C)C 34a_100000210136_100011214892 [0,2,0,0,0,0|0,0,0]=2 17493 B11R0.148 CCOCCOCCCC(C)C 34a_100000210774_100000210147 [0,2,0,0,0,0|0,0,0]=2 17494 B11R0.148 CCOCCOCCCC(C)C 7a_100000210136_100011214892 [0,2,0,0,0,0|0,0,0]=2 17495 B11R0.148 CCOCCOCCCC(C)C 7a_100000210774_100011215890 [0,2,0,0,0,0|0,0,0]=2 17496 B11R0.148 CCOCCOCCCC(C)O 34a_100000210136_200000718107 [0,2,0,0,0,0|0,0,0]=2 17497 B11R0.148 CCOCCOCCCC(C)O 7a_100000210136_200000718107 [0,2,0,0,0,0|0,0,0]=2 17498 B11R0.148 CCOCCOCCCN(C)C 7a_100000210136_100000757444 [0,2,0,0,0,0|1,0,0]=3 17499 B11R0.148 CCOCCOCCC[N+](=O)[O-] 34a_200000037920_100000210147 [0,2,0,0,0,0|2,0,0]=4 17500 B11R0.148 CCOCCOCCNC(=O)C 11a_100102712874_100015343762 [0,2,0,0,0,0|1,0,1]=4 17501 B11R0.148 CCOCCOCCNC(=O)C 1626a_100102712874_100015343762 [0,2,0,0,0,0|1,0,1]=4 17502 B11R0.148 CCOCCOCCNC(=O)C 240690a_100102712874_100015343762 [0,2,0,0,0,0|1,0,1]=4 17503 B11R0.148 CCOCCOCCNC(=O)C 34a_100000158858_100000210147 [0,2,0,0,0,0|1,0,1]=4 17504 B11R0.148 CCOCCOCCNC(=O)C 527a_100102712874_100103153847 [0,2,0,0,0,0|1,0,1]=4 17505 B11R0.148 CCOCCOCCNC(=O)C 7a_100000210136_100000189650 [0,2,0,0,0,0|1,0,1]=4 17506 B11R0.148 CCOCCOCCNC(C)C 2230a_100102712874_100000210206 [0,2,0,0,0,0|1,0,0]=3 17507 B11R0.148 CCOCCOCCNC(C)C 2230a_100138425928_100011211534 [0,2,0,0,0,0|1,0,0]=3 17508 B11R0.148 CCOCCOCCNC(C)C 34a_100000224655_100000210147 [0,2,0,0,0,0|1,0,0]=3 17509 B11R0.148 CCOCCOCCNC(C)C 34a_100102712874_100000210206 [0,2,0,0,0,0|1,0,0]=3 17510 B11R0.148 CCOCCOCCNC(C)C 34a_100138425928_100011211534 [0,2,0,0,0,0|1,0,0]=3 17511 B11R0.148 CCOCCOCCOC(=O)C 34a_100000210136_100009814007 [0,2,0,0,0,0|1,0,1]=4 17512 B11R0.148 CCOCCOCCOC(=O)C 34a_100121572206_200000083610 [0,2,0,0,0,0|1,0,1]=4 17513 B11R0.148 CCOCCOCCOC(=O)C 7a_100000210136_100009814007 [0,2,0,0,0,0|1,0,1]=4 17514 B11R0.148 CCOCCOCCOC(C)C 34a_100000210136_100000211751 [0,2,0,0,0,0|1,0,0]=3 17515 B11R0.148 CCOCCOCCOC(C)C 34a_100000210240_100000210206 [0,2,0,0,0,0|1,0,0]=3 17516 B11R0.148 CCOCCOCCOC(C)C 34a_100000211219_100000210147 [0,2,0,0,0,0|1,0,0]=3 17517 B11R0.148 CCOCCOCCOC(C)C 34a_100000212225_100011211534 [0,2,0,0,0,0|1,0,0]=3 17518 B11R0.148 CCOCCOCCOC(C)C 7a_100000210136_100000211751 [0,2,0,0,0,0|1,0,0]=3 17519 B11R0.148 CCOCCOCCOC(C)C 7a_100000210240_100000210206 [0,2,0,0,0,0|1,0,0]=3 17520 B11R0.148 CCOCCOCCOC(C)C 7a_100000211219_100011215890 [0,2,0,0,0,0|1,0,0]=3 17521 B11R0.148 CCOCCOCCSC(C)C 34a_100000210136_100000730970 [0,2,0,0,0,0|1,0,0]=3 17522 B11R0.148 CCOCCOCCSC(C)C 34a_200011212901_100000210147 [0,2,0,0,0,0|1,0,0]=3 17523 B11R0.148 CCOCCOCCSC(C)C 62a_100000210206_100011211534 [0,2,0,0,0,0|1,0,0]=3 17524 B11R0.148 CCOCCOCCSC(C)C 62a_100011211534_100000210206 [0,2,0,0,0,0|1,0,0]=3 17525 B11R0.148 CCOCCOCCSC(C)C 7a_100000210136_100000730970 [0,2,0,0,0,0|1,0,0]=3 17526 B11R0.148 CCOCCOCCSC(C)C 7a_200011212901_100011215890 [0,2,0,0,0,0|1,0,0]=3 17527 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [0,2,0,0,0,0|0,1,1]=4 17528 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [0,2,0,0,0,0|0,1,1]=4 17529 B11R0.148 CCOCCSCCCC(C)C 62a_100000210147_100011214892 [0,2,0,0,0,0|0,1,0]=3 17530 B11R0.148 CCOCCSCCCC(C)C 62a_100011214892_100011215890 [0,2,0,0,0,0|0,1,0]=3 17531 B11R0.148 CCOCCSCCCC(C)O 62a_100000210147_200000718107 [0,2,0,0,0,0|0,1,0]=3 17532 B11R0.148 CCOCCSCCCC(C)O 62a_200000718107_100011215890 [0,2,0,0,0,0|0,1,0]=3 17533 B11R0.148 CCOCCSCCCN(C)C 62a_100000210147_100000757444 [0,2,0,0,0,0|1,1,0]=4 17534 B11R0.148 CCOCCSCCOC(C)C 62a_100000210147_100000211751 [0,2,0,0,0,0|1,1,0]=4 17535 B11R0.148 CCOCCSCCOC(C)C 62a_100000211751_100011215890 [0,2,0,0,0,0|1,1,0]=4 17536 B11R0.148 CCOCCSCCSC(C)C 62a_100000210147_100000730970 [0,2,0,0,0,0|1,1,0]=4 17537 B11R0.148 CCOCCSCCSC(C)C 62a_100000730970_100011215890 [0,2,0,0,0,0|1,1,0]=4 17538 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [0,2,0,0,0,0|1,1,0]=4 17539 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [0,2,0,0,0,0|1,1,0]=4 17540 B11R0.148 CCOCSCCCCC(C)C 62a_100000739092_100011216152 [0,2,0,0,0,0|1,1,0]=4 17541 B11R0.148 CCOCSCCCCC(C)C 62a_100011216152_100000739092 [0,2,0,0,0,0|1,1,0]=4 17542 B11R0.148 CCOCSCCCCN(C)C 62a_100000739092_100000690147 [0,2,0,0,0,0|1,1,0]=4 17543 B11R0.148 CCSCCCOCC=C(C)C 34a_100011216438_100000761012 [0,2,0,0,0,0|0,0,2]=4 17544 B11R0.148 CCSCCCOCC=C(C)C 7a_100011216438_100000761012 [0,2,0,0,0,0|0,0,2]=4 17545 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [0,2,0,0,0,0|0,0,1]=3 17546 B11R0.148 CCSCCCOCCC(=O)N 34a_100011216438_100000731001 [0,2,0,0,0,0|1,0,1]=4 17547 B11R0.148 CCSCCCOCCC(=O)N 7a_100011216438_100000744528 [0,2,0,0,0,0|1,0,1]=4 17548 B11R0.148 CCSCCCOCCC(C)C 34a_100011216438_100000210312 [0,2,0,0,0,0|0,0,0]=2 17549 B11R0.148 CCSCCCOCCC(C)C 7a_100011216438_100000210626 [0,2,0,0,0,0|0,0,0]=2 17550 B11R0.148 CCSCCCOCCC(C)O 34a_100011216438_100012276601 [0,2,0,0,0,0|0,0,0]=2 17551 B11R0.148 CCSCCCOCCC(C)O 7a_100011216438_100012276601 [0,2,0,0,0,0|0,0,0]=2 17552 B11R0.148 CCSCCCOCCN(C)C 7a_100011216438_100000755713 [0,2,0,0,0,0|1,0,0]=3 17553 B11R0.148 CCSCCCOCOC(=O)C 34a_100011216438_100009813279 [0,2,0,0,0,0|1,0,1]=4 17554 B11R0.148 CCSCCCOCOC(C)C 34a_100011216438_100000709892 [0,2,0,0,0,0|1,0,0]=3 17555 B11R0.148 CCSCCNCCCC(C)C 2230a_100000106463_100011214892 [0,2,0,0,0,0|1,0,0]=3 17556 B11R0.148 CCSCCNCCCC(C)C 2230a_200000737386_100000757381 [0,2,0,0,0,0|1,0,0]=3 17557 B11R0.148 CCSCCNCCCC(C)C 34a_200000737386_100000757381 [0,2,0,0,0,0|1,0,0]=3 17558 B11R0.148 CCSCCNCCCC(C)O 2230a_100000106463_200000718107 [0,2,0,0,0,0|1,0,0]=3 17559 B11R0.148 CCSCCNCCCS(=O)C 2230a_200000753449_100000757381 [0,2,0,0,0,0|2,0,0]=4 17560 B11R0.148 CCSCCNCCOC(C)C 2230a_100000106463_100000211751 [0,2,0,0,0,0|2,0,0]=4 17561 B11R0.148 CCSCCNCCOC(C)C 2230a_100000701111_100000757381 [0,2,0,0,0,0|2,0,0]=4 17562 B11R0.148 CCSCCNCCOC(C)C 34a_100000701111_100000757381 [0,2,0,0,0,0|2,0,0]=4 17563 B11R0.148 CCSCCNCCSC(C)C 2230a_100000106463_100000730970 [0,2,0,0,0,0|2,0,0]=4 17564 B11R0.148 CCSCCNCCSC(C)C 2230a_100000731138_100000757381 [0,2,0,0,0,0|2,0,0]=4 17565 B11R0.148 CCSCCNCCSC(C)C 34a_100000731138_100000757381 [0,2,0,0,0,0|2,0,0]=4 17566 B11R0.148 CCSCCOCCC=C(C)C 34a_100000212035_100011217483 [0,2,0,0,0,0|0,0,2]=4 17567 B11R0.148 CCSCCOCCC=C(C)C 7a_100000212035_100011217483 [0,2,0,0,0,0|0,0,2]=4 17568 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [0,2,0,0,0,0|0,0,1]=3 17569 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [0,2,0,0,0,0|0,0,1]=3 17570 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [0,2,0,0,0,0|0,0,1]=3 17571 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [0,2,0,0,0,0|0,0,1]=3 17572 B11R0.148 CCSCCOCCCC(=O)N 34a_100000212035_100102525003 [0,2,0,0,0,0|1,0,1]=4 17573 B11R0.148 CCSCCOCCCC(=O)N 7a_100000212035_100102525003 [0,2,0,0,0,0|1,0,1]=4 17574 B11R0.148 CCSCCOCCCC(C)C 34a_100000210774_100000757381 [0,2,0,0,0,0|0,0,0]=2 17575 B11R0.148 CCSCCOCCCC(C)C 34a_100000212035_100011214892 [0,2,0,0,0,0|0,0,0]=2 17576 B11R0.148 CCSCCOCCCC(C)C 7a_100000210774_100000757381 [0,2,0,0,0,0|0,0,0]=2 17577 B11R0.148 CCSCCOCCCC(C)C 7a_100000212035_100011214892 [0,2,0,0,0,0|0,0,0]=2 17578 B11R0.148 CCSCCOCCCC(C)O 34a_100000212035_200000718107 [0,2,0,0,0,0|0,0,0]=2 17579 B11R0.148 CCSCCOCCCC(C)O 7a_100000212035_200000718107 [0,2,0,0,0,0|0,0,0]=2 17580 B11R0.148 CCSCCOCCCN(C)C 7a_100000212035_100000757444 [0,2,0,0,0,0|1,0,0]=3 17581 B11R0.148 CCSCCOCCC[N+](=O)[O-] 34a_200000037920_100000757381 [0,2,0,0,0,0|2,0,0]=4 17582 B11R0.148 CCSCCOCCNC(=O)C 34a_100000158858_100000757381 [0,2,0,0,0,0|1,0,1]=4 17583 B11R0.148 CCSCCOCCNC(=O)C 7a_100000212035_100000189650 [0,2,0,0,0,0|1,0,1]=4 17584 B11R0.148 CCSCCOCCNC(C)C 34a_100000224655_100000757381 [0,2,0,0,0,0|1,0,0]=3 17585 B11R0.148 CCSCCOCCOC(=O)C 34a_100000212035_100009814007 [0,2,0,0,0,0|1,0,1]=4 17586 B11R0.148 CCSCCOCCOC(=O)C 62a_100000210202_200000083610 [0,2,0,0,0,0|1,0,1]=4 17587 B11R0.148 CCSCCOCCOC(=O)C 62a_200000083610_100000210202 [0,2,0,0,0,0|1,0,1]=4 17588 B11R0.148 CCSCCOCCOC(=O)C 7a_100000212035_100009814007 [0,2,0,0,0,0|1,0,1]=4 17589 B11R0.148 CCSCCOCCOC(C)C 34a_100000211219_100000757381 [0,2,0,0,0,0|1,0,0]=3 17590 B11R0.148 CCSCCOCCOC(C)C 34a_100000212035_100000211751 [0,2,0,0,0,0|1,0,0]=3 17591 B11R0.148 CCSCCOCCOC(C)C 7a_100000211219_100000757381 [0,2,0,0,0,0|1,0,0]=3 17592 B11R0.148 CCSCCOCCOC(C)C 7a_100000212035_100000211751 [0,2,0,0,0,0|1,0,0]=3 17593 B11R0.148 CCSCCOCCSC(C)C 34a_100000212035_100000730970 [0,2,0,0,0,0|1,0,0]=3 17594 B11R0.148 CCSCCOCCSC(C)C 34a_200011212901_100000757381 [0,2,0,0,0,0|1,0,0]=3 17595 B11R0.148 CCSCCOCCSC(C)C 7a_100000212035_100000730970 [0,2,0,0,0,0|1,0,0]=3 17596 B11R0.148 CCSCCOCCSC(C)C 7a_200011212901_100000757381 [0,2,0,0,0,0|1,0,0]=3 17597 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [0,2,0,0,0,0|0,1,1]=4 17598 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [0,2,0,0,0,0|0,1,1]=4 17599 B11R0.148 CCSCCSCCCC(C)C 62a_100000757381_100011214892 [0,2,0,0,0,0|0,1,0]=3 17600 B11R0.148 CCSCCSCCCC(C)C 62a_100011214892_100000757381 [0,2,0,0,0,0|0,1,0]=3 17601 B11R0.148 CCSCCSCCCC(C)O 62a_100000757381_200000718107 [0,2,0,0,0,0|0,1,0]=3 17602 B11R0.148 CCSCCSCCCC(C)O 62a_200000718107_100000757381 [0,2,0,0,0,0|0,1,0]=3 17603 B11R0.148 CCSCCSCCCN(C)C 62a_100000757381_100000757444 [0,2,0,0,0,0|1,1,0]=4 17604 B11R0.148 CCSCCSCCOC(C)C 62a_100000211751_100000757381 [0,2,0,0,0,0|1,1,0]=4 17605 B11R0.148 CCSCCSCCOC(C)C 62a_100000757381_100000211751 [0,2,0,0,0,0|1,1,0]=4 17606 B11R0.148 CCSCCSCCSC(C)C 62a_100000730970_100000757381 [0,2,0,0,0,0|1,1,0]=4 17607 B11R0.148 CCSCCSCCSC(C)C 62a_100000757381_100000730970 [0,2,0,0,0,0|1,1,0]=4 17608 B11R0.148 CN(C)CCCCCCCCO 2230a_100102631434_100000033203 [0,2,0,0,0,0|2,0,0]=4 17609 B11R0.148 CN(C)CCCCCCCCO 269982a_100102631434_100000033203 [0,2,0,0,0,0|2,0,0]=4 17610 B11R0.148 CN(C)CCCCSCCCF 62a_100011934791_100000690147 [0,2,0,0,0,0|1,1,0]=4 17611 B11R0.148 CN(C)CCCCSCCCO 62a_100011215043_100000690147 [0,2,0,0,0,0|1,1,0]=4 17612 B11R0.148 CN(C)CCCOCCCCCl 7a_100000210776_100000757444 [0,2,0,0,0,0|1,0,0]=3 17613 B11R0.148 CN(C)CCCOCCCCF 7a_100011995726_100000757444 [0,2,0,0,0,0|1,0,0]=3 17614 B11R0.148 CN(C)CCCSCCCCF 62a_100000729493_100000757444 [0,2,0,0,0,0|1,1,0]=4 17615 B11R0.148 CN(C)CCCSCCCCO 62a_100000210776_100000757444 [0,2,0,0,0,0|1,1,0]=4 17616 B11R0.148 CN(C)CCOCCCCCBr 7a_100000746331_100000755713 [0,2,0,0,0,0|1,0,0]=3 17617 B11R0.148 CN(C)CCOCCCCCCl 7a_100000746330_100000755713 [0,2,0,0,0,0|1,0,0]=3 17618 B11R0.148 CN(C)CCOCCCCCI 7a_200012148887_100000755713 [0,2,0,0,0,0|1,0,0]=3 17619 B11R0.148 CN(C)CCOCCOCCBr 7a_100000692535_100000755713 [0,2,0,0,0,0|2,0,0]=4 17620 B11R0.148 CN(C)CCOCCOCCCl 7a_100011215305_100000755713 [0,2,0,0,0,0|2,0,0]=4 17621 B11R0.148 CN(C)CCOCCOCCF 7a_200015357709_100000755713 [0,2,0,0,0,0|2,0,0]=4 17622 B11R0.148 CN(C)CCOCCOCCI 7a_100012149058_100000755713 [0,2,0,0,0,0|2,0,0]=4 17623 B11R0.148 CN(C)CCOCCOCCO 2230a_100102631434_100000032323 [0,2,0,0,0,0|2,0,0]=4 17624 B11R0.148 CN(C)CCOCCOCCO 2230a_200014138305_200000210301 [0,2,0,0,0,0|2,0,0]=4 17625 B11R0.148 CN(C)CCOCCOCCO 269982a_100102631434_100000032323 [0,2,0,0,0,0|2,0,0]=4 17626 B11R0.148 CN(C)CCOCCOCCO 269982a_200014138305_200000210301 [0,2,0,0,0,0|2,0,0]=4 17627 B11R0.148 CN(C)CCOCCOCCO 34a_200014138305_200000210301 [0,2,0,0,0,0|2,0,0]=4 17628 B11R0.148 CN(C)CCSCCCCCF 62a_100000729378_100000755713 [0,2,0,0,0,0|1,1,0]=4 17629 B11R0.148 CN(C)CCSCCCCCO 62a_100000746330_100000755713 [0,2,0,0,0,0|1,1,0]=4 17630 B11R0.148 CN([13CH3])CCOCCOCCO 2230a_200014138305_200025704644 [0,2,0,0,0,0|2,0,0]=4 17631 B11R0.148 CN([13CH3])CCOCCOCCO 269982a_200014138305_200025704644 [0,2,0,0,0,0|2,0,0]=4 17632 B11R0.148 CN([13CH3])CCOCCOCCO 34a_200014138305_200025704644 [0,2,0,0,0,0|2,0,0]=4 17633 B11R0.148 CNCCCCCOCC(C)C 34a_100000722520_100000210624 [0,2,0,0,0,0|2,0,0]=4 17634 B11R0.148 CNCCCCCOCC(C)O 34a_100000722520_100011218427 [0,2,0,0,0,0|2,0,0]=4 17635 B11R0.148 CNCCCCCOC[C@@H](C)O 34a_100000722520_100009817552 [0,2,0,0,0,0|2,0,0]=4 17636 B11R0.148 CNCCCOCCC=C(C)C 34a_100000213112_100011217483 [0,2,0,0,0,0|0,0,2]=4 17637 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [0,2,0,0,0,0|0,0,1]=3 17638 B11R0.148 CNCCCOCCCC(=O)N 34a_100000213112_100102525003 [0,2,0,0,0,0|1,0,1]=4 17639 B11R0.148 CNCCCOCCCC(C)C 34a_100000213112_100011214892 [0,2,0,0,0,0|0,0,0]=2 17640 B11R0.148 CNCCCOCCCC(C)O 34a_100000213112_200000718107 [0,2,0,0,0,0|0,0,0]=2 17641 B11R0.148 CNCCCOCCOC(=O)C 34a_100000213112_100009814007 [0,2,0,0,0,0|1,0,1]=4 17642 B11R0.148 CNCCCOCCOC(C)C 34a_100000213112_100000211751 [0,2,0,0,0,0|1,0,0]=3 17643 B11R0.148 CNCCCOCCSC(C)C 34a_100000213112_100000730970 [0,2,0,0,0,0|1,0,0]=3 17644 B11R0.148 CNCCOCCOCC(C)C 34a_100000228057_100000210624 [0,2,0,0,0,0|1,0,0]=3 17645 B11R0.148 CNCCOCCOCC(C)O 34a_100000228057_100011218427 [0,2,0,0,0,0|1,0,0]=3 17646 B11R0.148 CNCCOCCOCC(F)F 34a_100000228057_100011934356 [0,2,0,0,0,0|2,0,0]=4 17647 B11R0.148 CNCCOCCOC[C@@H](C)O 34a_100000228057_100009817552 [0,2,0,0,0,0|1,0,0]=3 17648 B11R0.148 COCCCCCCCC(C)C 34a_200000210741_200000210301 [0,2,0,0,0,0|1,0,0]=3 17649 B11R0.148 COCCCCCCCC(C)C 7a_200000210741_200000210301 [0,2,0,0,0,0|1,0,0]=3 17650 B11R0.148 COCCCCCCNC(C)C 2230a_100138425928_100011998445 [0,2,0,0,0,0|2,0,0]=4 17651 B11R0.148 COCCCCCCNC(C)C 34a_100138425928_100011998445 [0,2,0,0,0,0|2,0,0]=4 17652 B11R0.148 COCCCCCCOC(C)C 34a_100000212225_100011998445 [0,2,0,0,0,0|2,0,0]=4 17653 B11R0.148 COCCCCCCOC(C)C 34a_200012092642_100000210206 [0,2,0,0,0,0|2,0,0]=4 17654 B11R0.148 COCCCCCCOC(C)C 7a_200012092642_100000210206 [0,2,0,0,0,0|2,0,0]=4 17655 B11R0.148 COCCCCCCSC(C)C 62a_100000210206_100011998445 [0,2,0,0,0,0|2,0,0]=4 17656 B11R0.148 COCCCCCCSC(C)C 62a_100011998445_100000210206 [0,2,0,0,0,0|2,0,0]=4 17657 B11R0.148 COCCCCCNCC(C)C 2230a_100000747528_100000210760 [0,2,0,0,0,0|2,0,0]=4 17658 B11R0.148 COCCCCCNCC(C)C 270004a_100000747528_100000210432 [0,2,0,0,0,0|2,0,0]=4 17659 B11R0.148 COCCCCCNCC(C)C 34a_100000747528_100000210624 [0,2,0,0,0,0|2,0,0]=4 17660 B11R0.148 COCCCCCNCC(C)O 2230a_100000747528_100011218427 [0,2,0,0,0,0|2,0,0]=4 17661 B11R0.148 COCCCCCNCC(C)O 34a_100000747528_100011218427 [0,2,0,0,0,0|2,0,0]=4 17662 B11R0.148 COCCCCCNC[C@@H](C)O 2230a_100000747528_100009817552 [0,2,0,0,0,0|2,0,0]=4 17663 B11R0.148 COCCCCCNC[C@@H](C)O 34a_100000747528_100009817552 [0,2,0,0,0,0|2,0,0]=4 17664 B11R0.148 COCCCCNCCC(C)O 2230a_200000755665_100000730899 [0,2,0,0,0,0|1,0,0]=3 17665 B11R0.148 COCCCCOCC=C(C)C 34a_100000740925_100000761012 [0,2,0,0,0,0|0,0,2]=4 17666 B11R0.148 COCCCCOCC=C(C)C 34a_100000753907_100000755781 [0,2,0,0,0,0|0,0,2]=4 17667 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [0,2,0,0,0,0|0,0,1]=3 17668 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [0,2,0,0,0,0|0,0,1]=3 17669 B11R0.148 COCCCCOCCC(=O)N 34a_100000740925_100000731001 [0,2,0,0,0,0|1,0,1]=4 17670 B11R0.148 COCCCCOCCC(=O)N 34a_100000757172_100000755781 [0,2,0,0,0,0|1,0,1]=4 17671 B11R0.148 COCCCCOCCC(=O)N 7a_100000757172_100000730899 [0,2,0,0,0,0|1,0,1]=4 17672 B11R0.148 COCCCCOCCC(C)Br 34a_100009893172_100000755781 [0,2,0,0,0,0|0,0,0]=2 17673 B11R0.148 COCCCCOCCC(C)C 34a_100000210254_100000755781 [0,2,0,0,0,0|0,0,0]=2 17674 B11R0.148 COCCCCOCCC(C)C 34a_100000740925_100000210312 [0,2,0,0,0,0|0,0,0]=2 17675 B11R0.148 COCCCCOCCC(C)C 7a_100000210254_100000730899 [0,2,0,0,0,0|0,0,0]=2 17676 B11R0.148 COCCCCOCCC(C)O 34a_100000740925_100012276601 [0,2,0,0,0,0|0,0,0]=2 17677 B11R0.148 COCCCCOCCC(F)F 34a_100103093639_100000755781 [0,2,0,0,0,0|1,0,0]=3 17678 B11R0.148 COCCCCOCC[C@@H](C)N 34a_100000706166_100000755781 [0,2,0,0,0,0|0,0,0]=2 17679 B11R0.148 COCCCCOCOC(=O)C 34a_100000740925_100009813279 [0,2,0,0,0,0|1,0,1]=4 17680 B11R0.148 COCCCCOCOC(C)C 34a_100000740925_100000709892 [0,2,0,0,0,0|1,0,0]=3 17681 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [0,2,0,0,0,0|0,1,1]=4 17682 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [0,2,0,0,0,0|0,1,1]=4 17683 B11R0.148 COCCCCSCCC(C)C 62a_100000210312_100000730899 [0,2,0,0,0,0|0,1,0]=3 17684 B11R0.148 COCCCCSCCC(C)C 62a_100000730899_100000210312 [0,2,0,0,0,0|0,1,0]=3 17685 B11R0.148 COCCCCSCCC(C)O 62a_100000730899_100012276601 [0,2,0,0,0,0|0,1,0]=3 17686 B11R0.148 COCCCCSCCC(C)O 62a_100012276601_100000730899 [0,2,0,0,0,0|0,1,0]=3 17687 B11R0.148 COCCCCSCCN(C)C 62a_100000730899_100000755713 [0,2,0,0,0,0|1,1,0]=4 17688 B11R0.148 COCCCCSCOC(C)C 62a_100000709892_100000730899 [0,2,0,0,0,0|1,1,0]=4 17689 B11R0.148 COCCCCSCOC(C)C 62a_100000730899_100000709892 [0,2,0,0,0,0|1,1,0]=4 17690 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [0,2,0,0,0,0|1,0,1]=4 17691 B11R0.148 COCCCNCCCC(C)C 2230a_200000737386_100000740836 [0,2,0,0,0,0|1,0,0]=3 17692 B11R0.148 COCCCNCCCC(C)C 34a_100150723488_100011214892 [0,2,0,0,0,0|1,0,0]=3 17693 B11R0.148 COCCCNCCCC(C)C 34a_200000737386_100000740836 [0,2,0,0,0,0|1,0,0]=3 17694 B11R0.148 COCCCNCCCC(C)O 34a_100150723488_200000718107 [0,2,0,0,0,0|1,0,0]=3 17695 B11R0.148 COCCCNCCCS(=O)C 2230a_200000753449_100000740836 [0,2,0,0,0,0|2,0,0]=4 17696 B11R0.148 COCCCNCCOC(C)C 2230a_100000701111_100000740836 [0,2,0,0,0,0|2,0,0]=4 17697 B11R0.148 COCCCNCCOC(C)C 34a_100000701111_100000740836 [0,2,0,0,0,0|2,0,0]=4 17698 B11R0.148 COCCCNCCOC(C)C 34a_100150723488_100000211751 [0,2,0,0,0,0|2,0,0]=4 17699 B11R0.148 COCCCNCCSC(C)C 2230a_100000731138_100000740836 [0,2,0,0,0,0|2,0,0]=4 17700 B11R0.148 COCCCNCCSC(C)C 34a_100000731138_100000740836 [0,2,0,0,0,0|2,0,0]=4 17701 B11R0.148 COCCCNCCSC(C)C 34a_100150723488_100000730970 [0,2,0,0,0,0|2,0,0]=4 17702 B11R0.148 COCCCOCCC=C(C)C 34a_100000740835_100011217483 [0,2,0,0,0,0|0,0,2]=4 17703 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [0,2,0,0,0,0|0,0,1]=3 17704 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [0,2,0,0,0,0|0,0,1]=3 17705 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [0,2,0,0,0,0|0,0,1]=3 17706 B11R0.148 COCCCOCCCC(=O)N 34a_100000740835_100102525003 [0,2,0,0,0,0|1,0,1]=4 17707 B11R0.148 COCCCOCCCC(C)C 34a_100000210774_100000740836 [0,2,0,0,0,0|0,0,0]=2 17708 B11R0.148 COCCCOCCCC(C)C 34a_100000740835_100011214892 [0,2,0,0,0,0|0,0,0]=2 17709 B11R0.148 COCCCOCCCC(C)C 7a_100000210774_100000740836 [0,2,0,0,0,0|0,0,0]=2 17710 B11R0.148 COCCCOCCCC(C)O 34a_100000740835_200000718107 [0,2,0,0,0,0|0,0,0]=2 17711 B11R0.148 COCCCOCCC[N+](=O)[O-] 34a_200000037920_100000740836 [0,2,0,0,0,0|2,0,0]=4 17712 B11R0.148 COCCCOCCNC(=O)C 34a_100000158858_100000740836 [0,2,0,0,0,0|1,0,1]=4 17713 B11R0.148 COCCCOCCNC(C)C 34a_100000224655_100000740836 [0,2,0,0,0,0|1,0,0]=3 17714 B11R0.148 COCCCOCCOC(=O)C 34a_100000740835_100009814007 [0,2,0,0,0,0|1,0,1]=4 17715 B11R0.148 COCCCOCCOC(C)C 34a_100000211219_100000740836 [0,2,0,0,0,0|1,0,0]=3 17716 B11R0.148 COCCCOCCOC(C)C 34a_100000740835_100000211751 [0,2,0,0,0,0|1,0,0]=3 17717 B11R0.148 COCCCOCCOC(C)C 7a_100000211219_100000740836 [0,2,0,0,0,0|1,0,0]=3 17718 B11R0.148 COCCCOCCSC(C)C 34a_100000740835_100000730970 [0,2,0,0,0,0|1,0,0]=3 17719 B11R0.148 COCCCOCCSC(C)C 34a_200011212901_100000740836 [0,2,0,0,0,0|1,0,0]=3 17720 B11R0.148 COCCCOCCSC(C)C 7a_200011212901_100000740836 [0,2,0,0,0,0|1,0,0]=3 17721 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [0,2,0,0,0,0|0,1,1]=4 17722 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [0,2,0,0,0,0|0,1,1]=4 17723 B11R0.148 COCCCSCCCC(C)C 62a_100000709357_100011214892 [0,2,0,0,0,0|0,1,0]=3 17724 B11R0.148 COCCCSCCCC(C)C 62a_100011214892_100000709357 [0,2,0,0,0,0|0,1,0]=3 17725 B11R0.148 COCCCSCCCC(C)O 62a_100000709357_200000718107 [0,2,0,0,0,0|0,1,0]=3 17726 B11R0.148 COCCCSCCCC(C)O 62a_200000718107_100000709357 [0,2,0,0,0,0|0,1,0]=3 17727 B11R0.148 COCCCSCCCN(C)C 62a_100000709357_100000757444 [0,2,0,0,0,0|1,1,0]=4 17728 B11R0.148 COCCCSCCOC(C)C 62a_100000211751_100000709357 [0,2,0,0,0,0|1,1,0]=4 17729 B11R0.148 COCCCSCCOC(C)C 62a_100000709357_100000211751 [0,2,0,0,0,0|1,1,0]=4 17730 B11R0.148 COCCCSCCSC(C)C 62a_100000709357_100000730970 [0,2,0,0,0,0|1,1,0]=4 17731 B11R0.148 COCCCSCCSC(C)C 62a_100000730970_100000709357 [0,2,0,0,0,0|1,1,0]=4 17732 B11R0.148 COCCNCCCCC(C)C 2230a_100000209980_100011216152 [0,2,0,0,0,0|2,0,0]=4 17733 B11R0.148 COCCNCCCOC(C)C 2230a_100000737246_100011201679 [0,2,0,0,0,0|2,0,0]=4 17734 B11R0.148 COCCNCCCOC(C)C 34a_100000737246_100011201679 [0,2,0,0,0,0|2,0,0]=4 17735 B11R0.148 COCCOCCCCB(O)O 34a_100000210237_200009817182 [0,2,0,0,0,0|2,0,0]=4 17736 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [0,2,0,0,0,0|1,0,0]=3 17737 B11R0.148 COCCOCCCCC(=O)N 34a_100012022536_100011201679 [0,2,0,0,0,0|1,0,1]=4 17738 B11R0.148 COCCOCCCCC(=O)N 7a_100012022536_100000233755 [0,2,0,0,0,0|1,0,1]=4 17739 B11R0.148 COCCOCCCCC(C)C 34a_100000210237_100011216152 [0,2,0,0,0,0|1,0,0]=3 17740 B11R0.148 COCCOCCCCC(C)C 34a_100011214890_100011201679 [0,2,0,0,0,0|1,0,0]=3 17741 B11R0.148 COCCOCCCCC(C)C 7a_100011214890_100000233755 [0,2,0,0,0,0|1,0,0]=3 17742 B11R0.148 COCCOCCCC[N+](=O)[O-] 34a_200015379883_100011201679 [0,2,0,0,0,0|2,0,0]=4 17743 B11R0.148 COCCOCCCC[N+](=O)[O-] 7a_200015379883_100000233755 [0,2,0,0,0,0|2,0,0]=4 17744 B11R0.148 COCCOCCCNC(=O)C 1626a_100000206027_100015343762 [0,2,0,0,0,0|1,0,1]=4 17745 B11R0.148 COCCOCCCNC(=O)C 240690a_100000206027_100015343762 [0,2,0,0,0,0|1,0,1]=4 17746 B11R0.148 COCCOCCCNC(=O)C 34a_100000752032_100011201679 [0,2,0,0,0,0|1,0,1]=4 17747 B11R0.148 COCCOCCCNC(C)C 2230a_100000206027_100000210206 [0,2,0,0,0,0|1,0,0]=3 17748 B11R0.148 COCCOCCCNC(C)C 2230a_100138425928_100011216529 [0,2,0,0,0,0|1,0,0]=3 17749 B11R0.148 COCCOCCCNC(C)C 34a_100000182298_100011201679 [0,2,0,0,0,0|1,0,0]=3 17750 B11R0.148 COCCOCCCNC(C)C 34a_100000206027_100000210206 [0,2,0,0,0,0|1,0,0]=3 17751 B11R0.148 COCCOCCCNC(C)C 34a_100138425928_100011216529 [0,2,0,0,0,0|1,0,0]=3 17752 B11R0.148 COCCOCCCOC(=O)C 34a_100000210237_100000042594 [0,2,0,0,0,0|1,0,1]=4 17753 B11R0.148 COCCOCCCOC(=S)C 34a_100000210237_200135323944 [0,2,0,0,0,0|1,0,1]=4 17754 B11R0.148 COCCOCCCOC(C)C 34a_100000212225_100011216529 [0,2,0,0,0,0|1,0,0]=3 17755 B11R0.148 COCCOCCCSC(=O)C 34a_100000210237_100000038929 [0,2,0,0,0,0|1,0,1]=4 17756 B11R0.148 COCCOCCCSC(C)C 62a_100000210206_100011216529 [0,2,0,0,0,0|1,0,0]=3 17757 B11R0.148 COCCOCCCSC(C)C 62a_100011216529_100000210206 [0,2,0,0,0,0|1,0,0]=3 17758 B11R0.148 COCCOCCNCC(C)C 2230a_100000210953_100000695917 [0,2,0,0,0,0|1,0,0]=3 17759 B11R0.148 COCCOCCNCC(C)C 2230a_100000745349_100000210760 [0,2,0,0,0,0|1,0,0]=3 17760 B11R0.148 COCCOCCNCC(C)C 270004a_100000745349_100000210432 [0,2,0,0,0,0|1,0,0]=3 17761 B11R0.148 COCCOCCNCC(C)C 34a_100000210953_100000695917 [0,2,0,0,0,0|1,0,0]=3 17762 B11R0.148 COCCOCCNCC(C)C 34a_100000745349_100000210624 [0,2,0,0,0,0|1,0,0]=3 17763 B11R0.148 COCCOCCNCC(C)C 34a_100015185251_100011201679 [0,2,0,0,0,0|1,0,0]=3 17764 B11R0.148 COCCOCCNCC(C)O 2230a_100000210904_100000695917 [0,2,0,0,0,0|1,0,0]=3 17765 B11R0.148 COCCOCCNCC(C)O 2230a_100000745349_100011218427 [0,2,0,0,0,0|1,0,0]=3 17766 B11R0.148 COCCOCCNCC(C)O 34a_100000210904_100000695917 [0,2,0,0,0,0|1,0,0]=3 17767 B11R0.148 COCCOCCNCC(C)O 34a_100000745349_100011218427 [0,2,0,0,0,0|1,0,0]=3 17768 B11R0.148 COCCOCCNCC(F)F 2230a_100000745349_100011934356 [0,2,0,0,0,0|2,0,0]=4 17769 B11R0.148 COCCOCCNCC(F)F 34a_100000745349_100011934356 [0,2,0,0,0,0|2,0,0]=4 17770 B11R0.148 COCCOCCNCC(F)F 34a_100000765723_100000695917 [0,2,0,0,0,0|2,0,0]=4 17771 B11R0.148 COCCOCCNC[C@@H](C)O 2230a_100000745349_100009817552 [0,2,0,0,0,0|1,0,0]=3 17772 B11R0.148 COCCOCCNC[C@@H](C)O 34a_100000745349_100009817552 [0,2,0,0,0,0|1,0,0]=3 17773 B11R0.148 COCCOCCOCC(=O)C 1458a_100011214951_200000210301 [0,2,0,0,0,0|1,0,1]=4 17774 B11R0.148 COCCOCCOCC(=O)C 34a_100000211253_100000695917 [0,2,0,0,0,0|1,0,1]=4 17775 B11R0.148 COCCOCCOCC(=O)[13CH3] 1458a_100011214951_200025704644 [0,2,0,0,0,0|1,0,1]=4 17776 B11R0.148 COCCOCCOCC(C)Br 34a_100012180447_100000695917 [0,2,0,0,0,0|1,0,0]=3 17777 B11R0.148 COCCOCCOCC(C)C 34a_100000210257_100000695917 [0,2,0,0,0,0|1,0,0]=3 17778 B11R0.148 COCCOCCOCC(C)C 34a_100000703358_100011201679 [0,2,0,0,0,0|1,0,0]=3 17779 B11R0.148 COCCOCCOCC(C)C 34a_100011215163_100000210624 [0,2,0,0,0,0|1,0,0]=3 17780 B11R0.148 COCCOCCOCC(C)C 7a_100000703358_100000233755 [0,2,0,0,0,0|1,0,0]=3 17781 B11R0.148 COCCOCCOCC(C)C 7a_100011215163_100000210760 [0,2,0,0,0,0|1,0,0]=3 17782 B11R0.148 COCCOCCOCC(C)F 34a_100015925927_100000695917 [0,2,0,0,0,0|1,0,0]=3 17783 B11R0.148 COCCOCCOCC(C)O 34a_100011215163_100011218427 [0,2,0,0,0,0|1,0,0]=3 17784 B11R0.148 COCCOCCOCC(C)O 7a_100011215163_100011218427 [0,2,0,0,0,0|1,0,0]=3 17785 B11R0.148 COCCOCCOCC(F)F 34a_100000210237_200012177212 [0,2,0,0,0,0|2,0,0]=4 17786 B11R0.148 COCCOCCOCC(F)F 34a_100000704375_100011201679 [0,2,0,0,0,0|2,0,0]=4 17787 B11R0.148 COCCOCCOCC(F)F 34a_100000743014_100000695917 [0,2,0,0,0,0|2,0,0]=4 17788 B11R0.148 COCCOCCOCC(F)F 34a_100010782186_200000210301 [0,2,0,0,0,0|2,0,0]=4 17789 B11R0.148 COCCOCCOCC(F)F 34a_100011215163_100011934356 [0,2,0,0,0,0|2,0,0]=4 17790 B11R0.148 COCCOCCOCC(F)F 7a_100000704375_100000233755 [0,2,0,0,0,0|2,0,0]=4 17791 B11R0.148 COCCOCCOCC(F)F 7a_100010782186_200000210301 [0,2,0,0,0,0|2,0,0]=4 17792 B11R0.148 COCCOCCOCC(F)F 7a_100011215163_100011934356 [0,2,0,0,0,0|2,0,0]=4 17793 B11R0.148 COCCOCCOC[C@@H](C)Cl 34a_100016084084_100000695917 [0,2,0,0,0,0|1,0,0]=3 17794 B11R0.148 COCCOCCOC[C@@H](C)N 34a_100000737577_100000695917 [0,2,0,0,0,0|1,0,0]=3 17795 B11R0.148 COCCOCCOC[C@@H](C)O 34a_100011215163_100009817552 [0,2,0,0,0,0|1,0,0]=3 17796 B11R0.148 COCCOCCOC[C@@H](C)O 7a_100011215163_100009817552 [0,2,0,0,0,0|1,0,0]=3 17797 B11R0.148 COCCOCCSCC(C)C 34a_200000230437_100011201679 [0,2,0,0,0,0|1,0,0]=3 17798 B11R0.148 COCCOCCSCC(C)C 62a_100000210624_100000695917 [0,2,0,0,0,0|1,0,0]=3 17799 B11R0.148 COCCOCCSCC(C)C 62a_100000695917_100000210760 [0,2,0,0,0,0|1,0,0]=3 17800 B11R0.148 COCCOCCSCC(C)C 7a_200000230437_100000233755 [0,2,0,0,0,0|1,0,0]=3 17801 B11R0.148 COCCOCCSCC(C)O 62a_100000695917_100011218427 [0,2,0,0,0,0|1,0,0]=3 17802 B11R0.148 COCCOCCSCC(C)O 62a_100011218427_100000695917 [0,2,0,0,0,0|1,0,0]=3 17803 B11R0.148 COCCOCCSCC(F)F 62a_100000695917_100011934356 [0,2,0,0,0,0|2,0,0]=4 17804 B11R0.148 COCCOCCSCC(F)F 62a_100011934356_100000695917 [0,2,0,0,0,0|2,0,0]=4 17805 B11R0.148 COCCOCCSC[C@@H](C)O 62a_100000695917_100009817552 [0,2,0,0,0,0|1,0,0]=3 17806 B11R0.148 COCCOCCSC[C@@H](C)O 62a_100009817552_100000695917 [0,2,0,0,0,0|1,0,0]=3 17807 B11R0.148 COCCOCNCCC(C)O 2230a_200000755665_100000231047 [0,2,0,0,0,0|1,0,0]=3 17808 B11R0.148 COCCOCSCCC(=O)C 62a_100000053229_100000231047 [0,2,0,0,0,0|1,0,1]=4 17809 B11R0.148 COCCOCSCCC(=O)C 62a_100000231047_100000053229 [0,2,0,0,0,0|1,0,1]=4 17810 B11R0.148 COCCOCSCCC(C)C 62a_100000210312_100000231047 [0,2,0,0,0,0|1,0,0]=3 17811 B11R0.148 COCCOCSCCC(C)C 62a_100000231047_100000210312 [0,2,0,0,0,0|1,0,0]=3 17812 B11R0.148 COCCOCSCCC(C)O 62a_100000231047_100012276601 [0,2,0,0,0,0|1,0,0]=3 17813 B11R0.148 COCCOCSCCC(C)O 62a_100012276601_100000231047 [0,2,0,0,0,0|1,0,0]=3 17814 B11R0.148 COCCOCSCCN(C)C 62a_100000231047_100000755713 [0,2,0,0,0,0|2,0,0]=4 17815 B11R0.148 COCCOCSCOC(C)C 62a_100000231047_100000709892 [0,2,0,0,0,0|2,0,0]=4 17816 B11R0.148 COCCOCSCOC(C)C 62a_100000709892_100000231047 [0,2,0,0,0,0|2,0,0]=4 17817 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [0,2,0,0,0,0|1,1,0]=4 17818 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [0,2,0,0,0,0|1,1,0]=4 17819 B11R0.148 COCCSCCCCC(C)C 62a_100000233755_100011216152 [0,2,0,0,0,0|1,1,0]=4 17820 B11R0.148 COCCSCCCCC(C)C 62a_100011216152_100000233755 [0,2,0,0,0,0|1,1,0]=4 17821 B11R0.148 COCCSCCCCN(C)C 62a_100000233755_100000690147 [0,2,0,0,0,0|1,1,0]=4 17822 B11R0.148 COCNCCCCCC(C)C 2230a_100011290863_100000766300 [0,2,0,0,0,0|2,0,0]=4 17823 B11R0.148 COCSCCCCCC(C)C 62a_100000210682_100000766300 [0,2,0,0,0,0|2,0,0]=4 17824 B11R0.148 COCSCCCCCC(C)C 62a_100000766300_100000210682 [0,2,0,0,0,0|2,0,0]=4 17825 B11R0.148 CS(=O)CCCNCCCCF 2230a_200000753449_100000729493 [0,2,0,0,0,0|2,0,0]=4 17826 B11R0.148 CS(=O)CCCNCCCCO 2230a_200000753449_100000210776 [0,2,0,0,0,0|2,0,0]=4 17827 B11R0.148 CSCCCCOCC=C(C)C 34a_100011217163_100000761012 [0,2,0,0,0,0|0,0,2]=4 17828 B11R0.148 CSCCCCOCC=C(C)C 7a_100011217163_100000761012 [0,2,0,0,0,0|0,0,2]=4 17829 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [0,2,0,0,0,0|0,0,1]=3 17830 B11R0.148 CSCCCCOCCC(=O)N 34a_100011217163_100000731001 [0,2,0,0,0,0|1,0,1]=4 17831 B11R0.148 CSCCCCOCCC(=O)N 7a_100011217163_100000744528 [0,2,0,0,0,0|1,0,1]=4 17832 B11R0.148 CSCCCCOCCC(C)C 34a_100011217163_100000210312 [0,2,0,0,0,0|0,0,0]=2 17833 B11R0.148 CSCCCCOCCC(C)C 7a_100011217163_100000210626 [0,2,0,0,0,0|0,0,0]=2 17834 B11R0.148 CSCCCCOCCC(C)O 34a_100011217163_100012276601 [0,2,0,0,0,0|0,0,0]=2 17835 B11R0.148 CSCCCCOCCC(C)O 7a_100011217163_100012276601 [0,2,0,0,0,0|0,0,0]=2 17836 B11R0.148 CSCCCCOCCN(C)C 7a_100011217163_100000755713 [0,2,0,0,0,0|1,0,0]=3 17837 B11R0.148 CSCCCCOCOC(=O)C 34a_100011217163_100009813279 [0,2,0,0,0,0|1,0,1]=4 17838 B11R0.148 CSCCCCOCOC(C)C 34a_100011217163_100000709892 [0,2,0,0,0,0|1,0,0]=3 17839 B11R0.148 CSCCCNCCCC(C)C 2230a_100000749238_100011214892 [0,2,0,0,0,0|1,0,0]=3 17840 B11R0.148 CSCCCNCCCC(C)O 2230a_100000749238_200000718107 [0,2,0,0,0,0|1,0,0]=3 17841 B11R0.148 CSCCCNCCOC(C)C 2230a_100000749238_100000211751 [0,2,0,0,0,0|2,0,0]=4 17842 B11R0.148 CSCCCNCCSC(C)C 2230a_100000749238_100000730970 [0,2,0,0,0,0|2,0,0]=4 17843 B11R0.148 CSCCCOCCC=C(C)C 34a_100000690336_100011217483 [0,2,0,0,0,0|0,0,2]=4 17844 B11R0.148 CSCCCOCCC=C(C)C 7a_100000690336_100011217483 [0,2,0,0,0,0|0,0,2]=4 17845 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [0,2,0,0,0,0|0,0,1]=3 17846 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [0,2,0,0,0,0|0,0,1]=3 17847 B11R0.148 CSCCCOCCCC(=O)N 34a_100000690336_100102525003 [0,2,0,0,0,0|1,0,1]=4 17848 B11R0.148 CSCCCOCCCC(=O)N 7a_100000690336_100102525003 [0,2,0,0,0,0|1,0,1]=4 17849 B11R0.148 CSCCCOCCCC(C)C 34a_100000690336_100011214892 [0,2,0,0,0,0|0,0,0]=2 17850 B11R0.148 CSCCCOCCCC(C)C 7a_100000690336_100011214892 [0,2,0,0,0,0|0,0,0]=2 17851 B11R0.148 CSCCCOCCCC(C)O 34a_100000690336_200000718107 [0,2,0,0,0,0|0,0,0]=2 17852 B11R0.148 CSCCCOCCCC(C)O 7a_100000690336_200000718107 [0,2,0,0,0,0|0,0,0]=2 17853 B11R0.148 CSCCCOCCCN(C)C 7a_100000690336_100000757444 [0,2,0,0,0,0|1,0,0]=3 17854 B11R0.148 CSCCCOCCNC(=O)C 7a_100000690336_100000189650 [0,2,0,0,0,0|1,0,1]=4 17855 B11R0.148 CSCCCOCCOC(=O)C 34a_100000690336_100009814007 [0,2,0,0,0,0|1,0,1]=4 17856 B11R0.148 CSCCCOCCOC(=O)C 7a_100000690336_100009814007 [0,2,0,0,0,0|1,0,1]=4 17857 B11R0.148 CSCCCOCCOC(C)C 34a_100000690336_100000211751 [0,2,0,0,0,0|1,0,0]=3 17858 B11R0.148 CSCCCOCCOC(C)C 7a_100000690336_100000211751 [0,2,0,0,0,0|1,0,0]=3 17859 B11R0.148 CSCCCOCCSC(C)C 34a_100000690336_100000730970 [0,2,0,0,0,0|1,0,0]=3 17860 B11R0.148 CSCCCOCCSC(C)C 7a_100000690336_100000730970 [0,2,0,0,0,0|1,0,0]=3 17861 B11R0.148 CSCCNCCCCC(C)C 2230a_100020590264_100011216152 [0,2,0,0,0,0|2,0,0]=4 17862 B11R0.148 CSCCNCCCOC(C)C 2230a_100000737246_100000751147 [0,2,0,0,0,0|2,0,0]=4 17863 B11R0.148 CSCCNCCCOC(C)C 34a_100000737246_100000212216 [0,2,0,0,0,0|2,0,0]=4 17864 B11R0.148 CSCCOCCCCB(O)O 34a_100000230434_200009817182 [0,2,0,0,0,0|2,0,0]=4 17865 B11R0.148 CSCCOCCCCB(O)O 7a_100000230434_200009817182 [0,2,0,0,0,0|2,0,0]=4 17866 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [0,2,0,0,0,0|1,0,0]=3 17867 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [0,2,0,0,0,0|1,0,0]=3 17868 B11R0.148 CSCCOCCCCC(=O)N 34a_100012022536_100000212216 [0,2,0,0,0,0|1,0,1]=4 17869 B11R0.148 CSCCOCCCCC(=O)N 7a_100012022536_100000212216 [0,2,0,0,0,0|1,0,1]=4 17870 B11R0.148 CSCCOCCCCC(C)C 34a_100000230434_100011216152 [0,2,0,0,0,0|1,0,0]=3 17871 B11R0.148 CSCCOCCCCC(C)C 34a_100011214890_100000212216 [0,2,0,0,0,0|1,0,0]=3 17872 B11R0.148 CSCCOCCCCC(C)C 7a_100000230434_100011216152 [0,2,0,0,0,0|1,0,0]=3 17873 B11R0.148 CSCCOCCCCC(C)C 7a_100011214890_100000212216 [0,2,0,0,0,0|1,0,0]=3 17874 B11R0.148 CSCCOCCCC[N+](=O)[O-] 34a_200015379883_100000212216 [0,2,0,0,0,0|2,0,0]=4 17875 B11R0.148 CSCCOCCCC[N+](=O)[O-] 7a_200015379883_100000212216 [0,2,0,0,0,0|2,0,0]=4 17876 B11R0.148 CSCCOCCCNC(=O)C 34a_100000752032_100000212216 [0,2,0,0,0,0|1,0,1]=4 17877 B11R0.148 CSCCOCCCNC(C)C 34a_100000182298_100000212216 [0,2,0,0,0,0|1,0,0]=3 17878 B11R0.148 CSCCOCCCOC(=O)C 34a_100000230434_100000042594 [0,2,0,0,0,0|1,0,1]=4 17879 B11R0.148 CSCCOCCCOC(=O)C 7a_100000230434_100000042594 [0,2,0,0,0,0|1,0,1]=4 17880 B11R0.148 CSCCOCCCOC(=S)C 34a_100000230434_200135323944 [0,2,0,0,0,0|1,0,1]=4 17881 B11R0.148 CSCCOCCCOC(=S)C 7a_100000230434_200135323944 [0,2,0,0,0,0|1,0,1]=4 17882 B11R0.148 CSCCOCCCSC(=O)C 34a_100000230434_100000038929 [0,2,0,0,0,0|1,0,1]=4 17883 B11R0.148 CSCCOCCCSC(=O)C 7a_100000230434_100000038929 [0,2,0,0,0,0|1,0,1]=4 17884 B11R0.148 CSCCOCCNCC(C)C 34a_100015185251_100000212216 [0,2,0,0,0,0|1,0,0]=3 17885 B11R0.148 CSCCOCCOCC(C)C 34a_100000703358_100000212216 [0,2,0,0,0,0|1,0,0]=3 17886 B11R0.148 CSCCOCCOCC(C)C 7a_100000703358_100000212216 [0,2,0,0,0,0|1,0,0]=3 17887 B11R0.148 CSCCOCCOCC(F)F 34a_100000230434_200012177212 [0,2,0,0,0,0|2,0,0]=4 17888 B11R0.148 CSCCOCCOCC(F)F 34a_100000704375_100000212216 [0,2,0,0,0,0|2,0,0]=4 17889 B11R0.148 CSCCOCCOCC(F)F 7a_100000230434_200012177212 [0,2,0,0,0,0|2,0,0]=4 17890 B11R0.148 CSCCOCCOCC(F)F 7a_100000704375_100000212216 [0,2,0,0,0,0|2,0,0]=4 17891 B11R0.148 CSCCOCCSCC(C)C 34a_200000230437_100000212216 [0,2,0,0,0,0|1,0,0]=3 17892 B11R0.148 CSCCOCCSCC(C)C 7a_200000230437_100000212216 [0,2,0,0,0,0|1,0,0]=3 17893 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [0,2,0,0,0,0|1,1,0]=4 17894 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [0,2,0,0,0,0|1,1,0]=4 17895 B11R0.148 CSCCSCCCCC(C)C 62a_100000212216_100011216152 [0,2,0,0,0,0|1,1,0]=4 17896 B11R0.148 CSCCSCCCCC(C)C 62a_100011216152_100000751147 [0,2,0,0,0,0|1,1,0]=4 17897 B11R0.148 CSCCSCCCCN(C)C 62a_100000212216_100000690147 [0,2,0,0,0,0|1,1,0]=4 17898 B11R0.148 CSCNCCCCCC(C)C 2230a_100011290863_100011218213 [0,2,0,0,0,0|2,0,0]=4 17899 B11R0.148 CSCNCCCCCC(C)C 34a_100011290863_100011218213 [0,2,0,0,0,0|2,0,0]=4 17900 B11R0.148 CSCOCCCCCC(C)C 34a_100011995859_100011218213 [0,2,0,0,0,0|2,0,0]=4 17901 B11R0.148 CSCSCCCCCC(C)C 62a_100000210682_100011218213 [0,2,0,0,0,0|2,0,0]=4 17902 B11R0.148 CSCSCCCCCC(C)C 62a_100011218213_100000210682 [0,2,0,0,0,0|2,0,0]=4 17903 B11R0.148 C[C@@H](Cl)COCCCCCCF 34a_100016084084_100015922095 [0,2,0,0,0,0|2,0,0]=4 17904 B11R0.148 C[C@@H](Cl)COCCCCCCO 34a_100016084084_100000766143 [0,2,0,0,0,0|2,0,0]=4 17905 B11R0.148 C[C@@H](N)CCOCCCCCF 34a_100000706166_100000729378 [0,2,0,0,0,0|0,0,0]=2 17906 B11R0.148 C[C@@H](N)CCOCCCCCO 34a_100000706166_100000746330 [0,2,0,0,0,0|0,0,0]=2 17907 B11R0.148 C[C@@H](N)CCOCCOCCO 34a_100000706166_100000692535 [0,2,0,0,0,0|1,0,0]=3 17908 B11R0.148 C[C@@H](N)COCCCCCCF 34a_100000737577_100015922095 [0,2,0,0,0,0|2,0,0]=4 17909 B11R0.148 C[C@@H](N)COCCCCCCO 34a_100000737577_100000766143 [0,2,0,0,0,0|2,0,0]=4 17910 B11R0.148 C[C@@H](O)CNCCCCCCO 2230a_100000686447_100009817552 [0,2,0,0,0,0|2,0,0]=4 17911 B11R0.148 C[C@@H](O)CNCCCCCCO 34a_100000686447_100009817552 [0,2,0,0,0,0|2,0,0]=4 17912 B11R0.148 C[C@@H](O)COCCCCCCBr 34a_100011215345_100009817552 [0,2,0,0,0,0|2,0,0]=4 17913 B11R0.148 C[C@@H](O)COCCCCCCBr 7a_100011215345_100009817552 [0,2,0,0,0,0|2,0,0]=4 17914 B11R0.148 C[C@@H](O)COCCCCCCCl 34a_100000766143_100009817552 [0,2,0,0,0,0|2,0,0]=4 17915 B11R0.148 C[C@@H](O)COCCCCCCCl 7a_100000766143_100009817552 [0,2,0,0,0,0|2,0,0]=4 17916 B11R0.148 C[C@@H](O)COCCCCCCF 34a_100000732779_100009817552 [0,2,0,0,0,0|2,0,0]=4 17917 B11R0.148 C[C@@H](O)COCCCCCCF 7a_100000732779_100009817552 [0,2,0,0,0,0|2,0,0]=4 17918 B11R0.148 C[C@@H](O)COCCCCCCN 34a_100000686447_100009817552 [0,2,0,0,0,0|2,0,0]=4 17919 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100009817552_100015922095 [0,2,0,0,0,0|2,0,0]=4 17920 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100015922095_100009817552 [0,2,0,0,0,0|2,0,0]=4 17921 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100000766143_100009817552 [0,2,0,0,0,0|2,0,0]=4 17922 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100009817552_100000766143 [0,2,0,0,0,0|2,0,0]=4 17923 B11R0.148 FC(F)COCCOCCCBr 34a_100011217188_200012177212 [0,2,0,0,0,0|2,0,0]=4 17924 B11R0.148 FC(F)COCCOCCCCl 34a_100000230001_200012177212 [0,2,0,0,0,0|2,0,0]=4 17925 B11R0.148 FCCCCCOCCC(F)F 34a_100103093639_100000729378 [0,2,0,0,0,0|1,0,0]=3 17926 B11R0.148 FCCCOCCOCC(F)F 34a_100000704375_100011934791 [0,2,0,0,0,0|2,0,0]=4 17927 B11R0.148 FCCCOCCOCC(F)F 34a_100000759539_200012177212 [0,2,0,0,0,0|2,0,0]=4 17928 B11R0.148 FCCCOCCOCC(F)F 7a_100000704375_100011934791 [0,2,0,0,0,0|2,0,0]=4 17929 B11R0.148 NC(=O)CCCCOCCCF 34a_100012022536_100011934791 [0,2,0,0,0,0|1,0,1]=4 17930 B11R0.148 NC(=O)CCCCOCCCF 7a_100012022536_100011934791 [0,2,0,0,0,0|1,0,1]=4 17931 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [0,2,0,0,0,0|1,0,1]=4 17932 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [0,2,0,0,0,0|1,0,1]=4 17933 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [0,2,0,0,0,0|1,0,1]=4 17934 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [0,2,0,0,0,0|1,0,1]=4 17935 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [0,2,0,0,0,0|1,0,1]=4 17936 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [0,2,0,0,0,0|1,0,1]=4 17937 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [0,2,0,0,0,0|1,0,1]=4 17938 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [0,2,0,0,0,0|1,0,1]=4 17939 B11R0.148 NC(=O)CCOCCCCCBr 34a_100000746331_100000731001 [0,2,0,0,0,0|1,0,1]=4 17940 B11R0.148 NC(=O)CCOCCCCCBr 7a_100000746331_100000744528 [0,2,0,0,0,0|1,0,1]=4 17941 B11R0.148 NC(=O)CCOCCCCCCl 34a_100000746330_100000731001 [0,2,0,0,0,0|1,0,1]=4 17942 B11R0.148 NC(=O)CCOCCCCCCl 7a_100000746330_100000744528 [0,2,0,0,0,0|1,0,1]=4 17943 B11R0.148 NC(=O)CCOCCCCCF 34a_100000757172_100000729378 [0,2,0,0,0,0|1,0,1]=4 17944 B11R0.148 NC(=O)CCOCCCCCF 7a_100000757172_100000729378 [0,2,0,0,0,0|1,0,1]=4 17945 B11R0.148 NC(=O)CCOCCCCCI 34a_200012148887_100000731001 [0,2,0,0,0,0|1,0,1]=4 17946 B11R0.148 NC(=O)CCOCCCCCI 7a_200012148887_100000744528 [0,2,0,0,0,0|1,0,1]=4 17947 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [0,2,0,0,0,0|1,0,1]=4 17948 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [0,2,0,0,0,0|1,0,1]=4 17949 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [0,2,0,0,0,0|1,0,1]=4 17950 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [0,2,0,0,0,0|1,0,1]=4 17951 B11R0.148 NCCCOCCCCB(O)O 34a_100000182051_200009817182 [0,2,0,0,0,0|2,0,0]=4 17952 B11R0.148 NCCCOCCOCC(F)F 34a_100000182051_200012177212 [0,2,0,0,0,0|2,0,0]=4 17953 B11R0.148 O=[N+]([O-])CCCCOCCCF 34a_200015379883_100011934791 [0,2,0,0,0,0|2,0,0]=4 17954 B11R0.148 O=[N+]([O-])CCCCOCCCF 7a_200015379883_100011934791 [0,2,0,0,0,0|2,0,0]=4 17955 B11R0.148 O=[N+]([O-])CCCCOCCCO 34a_200015379883_100000230001 [0,2,0,0,0,0|2,0,0]=4 17956 B11R0.148 O=[N+]([O-])CCCCOCCCO 7a_200015379883_100011215043 [0,2,0,0,0,0|2,0,0]=4 17957 B11R0.148 O=[N+]([O-])CCCOCCCCF 34a_200000037920_100000729493 [0,2,0,0,0,0|2,0,0]=4 17958 B11R0.148 O=[N+]([O-])CCCOCCCCO 34a_200000037920_100011216708 [0,2,0,0,0,0|2,0,0]=4 17959 B11R0.148 OB(O)CCCCOCCCBr 34a_100011217188_200009817182 [0,2,0,0,0,0|2,0,0]=4 17960 B11R0.148 OB(O)CCCCOCCCCl 34a_100000230001_200009817182 [0,2,0,0,0,0|2,0,0]=4 17961 B11R0.148 OB(O)CCCCOCCCF 34a_100000759539_200009817182 [0,2,0,0,0,0|2,0,0]=4 17962 B11R0.148 OCCCCCOCCC(F)F 34a_100103093639_100000746330 [0,2,0,0,0,0|1,0,0]=3 17963 B11R0.148 OCCCOCCOCC(F)F 34a_100000704375_100000230001 [0,2,0,0,0,0|2,0,0]=4 17964 B11R0.148 OCCCOCCOCC(F)F 7a_100000704375_100011215043 [0,2,0,0,0,0|2,0,0]=4 17965 B11R0.148 OCCOCCOCCC(F)F 34a_100103093639_100000692535 [0,2,0,0,0,0|2,0,0]=4 17966 B11R0.148 [13CH3]C(=O)CCOCCOCCO 1458a_100009915118_200025704644 [0,2,0,0,0,0|1,0,1]=4 17967 B11R0.148 [13CH3]OCCOCCOCC(F)F 34a_100010782186_200025704644 [0,2,0,0,0,0|2,0,0]=4 17968 B11R0.148 [13CH3]OCCOCCOCC(F)F 7a_100010782186_200025704644 [0,2,0,0,0,0|2,0,0]=4 17969 B11R0.159 C#CCCCOCCC(C)(C)C 34a_100000215630_100000755188 [0,2,0,0,0,0|0,0,2]=4 17970 B11R0.159 C#CCCCOCCC(C)(C)C 7a_100000215630_100000755188 [0,2,0,0,0,0|0,0,2]=4 17971 B11R0.159 C#CCCCOCCC(C)(C)C 7a_100000765024_100011215417 [0,2,0,0,0,0|0,0,2]=4 17972 B11R0.159 C#CCCCOCCC(C)(C)O 34a_100000215630_100000702414 [0,2,0,0,0,0|0,0,2]=4 17973 B11R0.159 C#CCCCOCCC(C)(C)O 7a_100000215630_100000702414 [0,2,0,0,0,0|0,0,2]=4 17974 B11R0.159 C#CCCOCCCC(C)(C)O 34a_100011215631_100009888830 [0,2,0,0,0,0|0,0,2]=4 17975 B11R0.159 C/C=C/CCOCCC(C)(C)C 34a_100016278192_100000755188 [0,2,0,0,0,0|0,0,2]=4 17976 B11R0.159 C/C=C/CCOCCC(C)(C)O 34a_100016278192_100000702414 [0,2,0,0,0,0|0,0,2]=4 17977 B11R0.159 C/C=C/COCCCC(C)(C)O 34a_100016270725_100009888830 [0,2,0,0,0,0|0,0,2]=4 17978 B11R0.159 C=CCCCOCCC(C)(C)C 34a_100000758997_100000755188 [0,2,0,0,0,0|0,0,2]=4 17979 B11R0.159 C=CCCCOCCC(C)(C)C 7a_100000758997_100000755188 [0,2,0,0,0,0|0,0,2]=4 17980 B11R0.159 C=CCCCOCCC(C)(C)C 7a_100000765024_100000757094 [0,2,0,0,0,0|0,0,2]=4 17981 B11R0.159 C=CCCCOCCC(C)(C)O 34a_100000758997_100000702414 [0,2,0,0,0,0|0,0,2]=4 17982 B11R0.159 C=CCCCOCCC(C)(C)O 7a_100000758997_100000702414 [0,2,0,0,0,0|0,0,2]=4 17983 B11R0.159 C=CCCOCCCC(C)(C)O 34a_100011205117_100009888830 [0,2,0,0,0,0|0,0,2]=4 17984 B11R0.159 CC#CCCOCCC(C)(C)C 34a_100000750427_100000755188 [0,2,0,0,0,0|0,0,2]=4 17985 B11R0.159 CC#CCCOCCC(C)(C)O 34a_100000750427_100000702414 [0,2,0,0,0,0|0,0,2]=4 17986 B11R0.159 CC#CCOCCCC(C)(C)O 34a_100000761923_100009888830 [0,2,0,0,0,0|0,0,2]=4 17987 B11R0.159 CC(C)(C)CCNCCCCF 2230a_100000738805_100000729493 [0,2,0,0,0,0|2,0,0]=4 17988 B11R0.159 CC(C)(C)CCNCCCCO 2230a_100000738805_100000210776 [0,2,0,0,0,0|2,0,0]=4 17989 B11R0.159 CC(C)(C)CCNCCCCO 2230a_100000750430_100000755188 [0,2,0,0,0,0|2,0,0]=4 17990 B11R0.159 CC(C)(C)CCNCCCCO 34a_100000750430_100000755188 [0,2,0,0,0,0|2,0,0]=4 17991 B11R0.159 CC(C)(C)CCOCCCC#N 7a_100000765024_100000687738 [0,2,0,0,0,0|1,0,1]=4 17992 B11R0.159 CC(C)(C)CCOCCCC=O 7a_100000765024_200011292268 [0,2,0,0,0,0|1,0,1]=4 17993 B11R0.159 CC(C)(C)CCOCCCCBr 34a_100011216708_100000755188 [0,2,0,0,0,0|1,0,0]=3 17994 B11R0.159 CC(C)(C)CCOCCCCCl 34a_100000210776_100000755188 [0,2,0,0,0,0|1,0,0]=3 17995 B11R0.159 CC(C)(C)CCOCCCCCl 7a_100000210776_100000755188 [0,2,0,0,0,0|1,0,0]=3 17996 B11R0.159 CC(C)(C)CCOCCCCF 34a_100011995726_100000755188 [0,2,0,0,0,0|1,0,0]=3 17997 B11R0.159 CC(C)(C)CCOCCCCF 7a_100000765024_100000729493 [0,2,0,0,0,0|1,0,0]=3 17998 B11R0.159 CC(C)(C)CCOCCCCF 7a_100011995726_100000755188 [0,2,0,0,0,0|1,0,0]=3 17999 B11R0.159 CC(C)(C)CCOCCCCI 34a_200012148704_100000755188 [0,2,0,0,0,0|1,0,0]=3 18000 B11R0.159 CC(C)(C)CCOCCCCN 34a_100000750430_100000755188 [0,2,0,0,0,0|1,0,0]=3 18001 B11R0.159 CC(C)(C)CCOCCCCO 7a_100000765024_100000210776 [0,2,0,0,0,0|1,0,0]=3 18002 B11R0.159 CC(C)(C)CCSCCCCF 62a_100000729493_100000755188 [0,2,0,0,0,0|1,1,0]=4 18003 B11R0.159 CC(C)(C)CCSCCCCF 62a_100000755188_100000729493 [0,2,0,0,0,0|1,1,0]=4 18004 B11R0.159 CC(C)(C)CCSCCCCO 62a_100000210776_100000755188 [0,2,0,0,0,0|1,1,0]=4 18005 B11R0.159 CC(C)(C)CCSCCCCO 62a_100000755188_100000210776 [0,2,0,0,0,0|1,1,0]=4 18006 B11R0.159 CC(C)(C)OCCOCCCF 34a_100000693234_100011934791 [0,2,0,0,0,0|2,0,0]=4 18007 B11R0.159 CC(C)(C)OCCOCCCF 7a_100000693234_100011934791 [0,2,0,0,0,0|2,0,0]=4 18008 B11R0.159 CC(C)(C)OCCOCCCO 34a_100000693234_100000230001 [0,2,0,0,0,0|2,0,0]=4 18009 B11R0.159 CC(C)(C)OCCOCCCO 7a_100000693234_100011215043 [0,2,0,0,0,0|2,0,0]=4 18010 B11R0.159 CC(C)(C)OCCOCCO[13CH3] 34a_100011997631_200025704644 [0,2,0,0,0,0|2,0,0]=4 18011 B11R0.159 CC(C)(C)OCCOCCO[13CH3] 7a_100011997631_200025704644 [0,2,0,0,0,0|2,0,0]=4 18012 B11R0.159 CC(C)(F)CCNCCCCF 2230a_100016253952_100000729493 [0,2,0,0,0,0|2,0,0]=4 18013 B11R0.159 CC(C)(F)CCNCCCCO 2230a_100016253952_100000210776 [0,2,0,0,0,0|2,0,0]=4 18014 B11R0.159 CC(C)(O)CCCNCCCF 2230a_100015189416_100009888830 [0,2,0,0,0,0|2,0,0]=4 18015 B11R0.159 CC(C)(O)CCCNCCCF 34a_100015189416_100009888830 [0,2,0,0,0,0|2,0,0]=4 18016 B11R0.159 CC(C)(O)CCCOCCCBr 34a_100011217188_100009888830 [0,2,0,0,0,0|1,0,0]=3 18017 B11R0.159 CC(C)(O)CCCOCCCCl 34a_100000230001_100009888830 [0,2,0,0,0,0|1,0,0]=3 18018 B11R0.159 CC(C)(O)CCCOCCCF 34a_100000759539_100009888830 [0,2,0,0,0,0|1,0,0]=3 18019 B11R0.159 CC(C)(O)CCCOCCCN 34a_100000182051_100009888830 [0,2,0,0,0,0|1,0,0]=3 18020 B11R0.159 CC(C)(O)CCCOCCON 34a_100000700252_100009888830 [0,2,0,0,0,0|2,0,0]=4 18021 B11R0.159 CC(C)(O)CCCSCCCF 62a_100009888830_100011934791 [0,2,0,0,0,0|1,1,0]=4 18022 B11R0.159 CC(C)(O)CCCSCCCF 62a_100011934791_100009888830 [0,2,0,0,0,0|1,1,0]=4 18023 B11R0.159 CC(C)(O)CCCSCCCO 62a_100009888830_100011215043 [0,2,0,0,0,0|1,1,0]=4 18024 B11R0.159 CC(C)(O)CCCSCCCO 62a_100011215043_100009888830 [0,2,0,0,0,0|1,1,0]=4 18025 B11R0.159 CC(C)(O)CCNCCCCO 2230a_100000750430_100000702414 [0,2,0,0,0,0|2,0,0]=4 18026 B11R0.159 CC(C)(O)CCNCCCCO 34a_100000750430_100000702414 [0,2,0,0,0,0|2,0,0]=4 18027 B11R0.159 CC(C)(O)CCOCCCCBr 34a_100011216708_100000702414 [0,2,0,0,0,0|1,0,0]=3 18028 B11R0.159 CC(C)(O)CCOCCCCCl 34a_100000210776_100000702414 [0,2,0,0,0,0|1,0,0]=3 18029 B11R0.159 CC(C)(O)CCOCCCCCl 7a_100000210776_100000702414 [0,2,0,0,0,0|1,0,0]=3 18030 B11R0.159 CC(C)(O)CCOCCCCF 34a_100011995726_100000702414 [0,2,0,0,0,0|1,0,0]=3 18031 B11R0.159 CC(C)(O)CCOCCCCF 7a_100011995726_100000702414 [0,2,0,0,0,0|1,0,0]=3 18032 B11R0.159 CC(C)(O)CCOCCCCI 34a_200012148704_100000702414 [0,2,0,0,0,0|1,0,0]=3 18033 B11R0.159 CC(C)(O)CCOCCCCN 34a_100000750430_100000702414 [0,2,0,0,0,0|1,0,0]=3 18034 B11R0.159 CC(C)(O)CCSCCCCF 62a_100000702414_100000729493 [0,2,0,0,0,0|1,1,0]=4 18035 B11R0.159 CC(C)(O)CCSCCCCF 62a_100000729493_100000702414 [0,2,0,0,0,0|1,1,0]=4 18036 B11R0.159 CC(C)(O)CCSCCCCO 62a_100000210776_100000702414 [0,2,0,0,0,0|1,1,0]=4 18037 B11R0.159 CC(C)(O)CCSCCCCO 62a_100000702414_100000210776 [0,2,0,0,0,0|1,1,0]=4 18038 B11R0.159 CC/C=C\COCCC(C)(C)C 34a_100016268518_100000755188 [0,2,0,0,0,0|0,0,2]=4 18039 B11R0.159 CC/C=C\COCCC(C)(C)C 7a_100000765024_100103147603 [0,2,0,0,0,0|0,0,2]=4 18040 B11R0.159 CC/C=C\COCCC(C)(C)O 34a_100016268518_100000702414 [0,2,0,0,0,0|0,0,2]=4 18041 B11R0.159 CCC#CCOCCC(C)(C)C 34a_100000032950_100000755188 [0,2,0,0,0,0|0,0,2]=4 18042 B11R0.159 CCC#CCOCCC(C)(C)C 7a_100000765024_100009813939 [0,2,0,0,0,0|0,0,2]=4 18043 B11R0.159 CCC#CCOCCC(C)(C)O 34a_100000032950_100000702414 [0,2,0,0,0,0|0,0,2]=4 18044 B11R0.159 CCCCCCCNC(C)(C)C 2230a_100000715429_100000210681 [0,2,0,0,0,0|2,0,0]=4 18045 B11R0.159 CCCCCCCOC(C)(C)C 34a_100000210272_100000210625 [0,2,0,0,0,0|2,0,0]=4 18046 B11R0.159 CCCCCCCOC(C)(C)C 34a_100015890283_100000210614 [0,2,0,0,0,0|2,0,0]=4 18047 B11R0.159 CCCCCCCOC(C)(C)C 7a_100015890283_100000210614 [0,2,0,0,0,0|2,0,0]=4 18048 B11R0.159 CCCCCCCSC(C)(C)C 62a_100000210614_100000211941 [0,2,0,0,0,0|2,0,0]=4 18049 B11R0.159 CCCCCCCSC(C)(C)C 62a_100000211941_100000210316 [0,2,0,0,0,0|2,0,0]=4 18050 B11R0.159 CCCCCCNCC(C)(C)C 2230a_100000743828_100000210314 [0,2,0,0,0,0|2,0,0]=4 18051 B11R0.159 CCCCCCNCC(C)(C)C 270004a_100000210581_100011204126 [0,2,0,0,0,0|2,0,0]=4 18052 B11R0.159 CCCCCCNCC(C)(C)F 2230a_100020643315_100000210314 [0,2,0,0,0,0|2,0,0]=4 18053 B11R0.159 CCCCCCNCC(C)(C)O 2230a_100000751335_100000210314 [0,2,0,0,0,0|2,0,0]=4 18054 B11R0.159 CCCCCCOCC(C)(C)C 34a_100000210259_100011219605 [0,2,0,0,0,0|2,0,0]=4 18055 B11R0.159 CCCCCCOCC(C)(C)F 34a_100000210259_100011997219 [0,2,0,0,0,0|2,0,0]=4 18056 B11R0.159 CCCCCCOCC(C)(C)F 34a_100000716592_100000210314 [0,2,0,0,0,0|2,0,0]=4 18057 B11R0.159 CCCCCCOCC(C)(C)O 34a_100000210259_100000764493 [0,2,0,0,0,0|2,0,0]=4 18058 B11R0.159 CCCCCCOCC(C)(C)O 7a_100000210259_100000764493 [0,2,0,0,0,0|2,0,0]=4 18059 B11R0.159 CCCCCCOCC(C)(F)F 34a_100000068830_100000210314 [0,2,0,0,0,0|2,0,0]=4 18060 B11R0.159 CCCCCCSCC(C)(C)C 62a_100000210314_100011219605 [0,2,0,0,0,0|2,0,0]=4 18061 B11R0.159 CCCCCCSCC(C)(C)C 62a_100011219605_100000210757 [0,2,0,0,0,0|2,0,0]=4 18062 B11R0.159 CCCCCCSCC(C)(C)F 62a_100000210314_100011997219 [0,2,0,0,0,0|2,0,0]=4 18063 B11R0.159 CCCCCCSCC(C)(C)F 62a_100011997219_100000210757 [0,2,0,0,0,0|2,0,0]=4 18064 B11R0.159 CCCCCCSCC(C)(C)O 62a_100000210314_100000764493 [0,2,0,0,0,0|2,0,0]=4 18065 B11R0.159 CCCCCCSCC(C)(C)O 62a_100000764493_100000210757 [0,2,0,0,0,0|2,0,0]=4 18066 B11R0.159 CCCCCNCCC(C)(C)C 2230a_100000209983_100000755188 [0,2,0,0,0,0|1,0,0]=3 18067 B11R0.159 CCCCCNCCC(C)(C)C 2230a_100000738805_100000210326 [0,2,0,0,0,0|1,0,0]=3 18068 B11R0.159 CCCCCNCCC(C)(C)F 2230a_100016253952_100000210326 [0,2,0,0,0,0|1,0,0]=3 18069 B11R0.159 CCCCCNCCC(C)(C)O 2230a_100000209983_100000702414 [0,2,0,0,0,0|1,0,0]=3 18070 B11R0.159 CCCCCNCCC(F)(F)F 2230a_100000740434_100000210326 [0,2,0,0,0,0|2,0,0]=4 18071 B11R0.159 CCCCCNCCC(F)(F)F 34a_100000740434_100000718602 [0,2,0,0,0,0|2,0,0]=4 18072 B11R0.159 CCCCCNCCS(=O)(=O)C 2230a_100000209983_100000731031 [0,2,0,0,0,0|2,0,0]=4 18073 B11R0.159 CCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210326 [0,2,0,0,0,0|2,0,0]=4 18074 B11R0.159 CCCCCNCCS(=O)(=O)C 34a_100000740961_100000718602 [0,2,0,0,0,0|2,0,0]=4 18075 B11R0.159 CCCCCNCC[Si](C)(C)C 2230a_100000209983_200000733723 [0,2,0,0,0,0|1,1,0]=4 18076 B11R0.159 CCCCCOCCC(C)(C)C 34a_100000210253_100000755188 [0,2,0,0,0,0|0,0,0]=2 18077 B11R0.159 CCCCCOCCC(C)(C)C 7a_100000210253_100000755188 [0,2,0,0,0,0|0,0,0]=2 18078 B11R0.159 CCCCCOCCC(C)(C)C 7a_100000765024_100000210326 [0,2,0,0,0,0|0,0,0]=2 18079 B11R0.159 CCCCCOCCC(C)(C)O 34a_100000210253_100000702414 [0,2,0,0,0,0|0,0,0]=2 18080 B11R0.159 CCCCCOCCC(C)(C)O 7a_100000210253_100000702414 [0,2,0,0,0,0|0,0,0]=2 18081 B11R0.159 CCCCCOCCC(F)(F)F 34a_100000210253_100011219754 [0,2,0,0,0,0|1,0,0]=3 18082 B11R0.159 CCCCCOCCC(F)(F)F 34a_100000752437_100000718602 [0,2,0,0,0,0|1,0,0]=3 18083 B11R0.159 CCCCCOCCC(F)(F)F 7a_100000210253_100011219754 [0,2,0,0,0,0|1,0,0]=3 18084 B11R0.159 CCCCCOCCS(=O)(=O)C 34a_100000210253_100000731031 [0,2,0,0,0,0|1,0,0]=3 18085 B11R0.159 CCCCCOCCS(=O)(=O)C 34a_100000211924_100000718602 [0,2,0,0,0,0|1,0,0]=3 18086 B11R0.159 CCCCCOCCS(=O)(=O)C 7a_100000210253_100000230027 [0,2,0,0,0,0|1,0,0]=3 18087 B11R0.159 CCCCCOCCS(=O)(=O)C 7a_100000211924_100000210326 [0,2,0,0,0,0|1,0,0]=3 18088 B11R0.159 CCCCCOCCS(=O)(=O)N 34a_100012334274_100000718602 [0,2,0,0,0,0|2,0,0]=4 18089 B11R0.159 CCCCCOCCS(=O)(=O)[O-] 34a_100000210253_100000762736 [0,2,0,0,0,0|2,0,0]=4 18090 B11R0.159 CCCCCOCC[N+](C)(C)C 34a_100000210253_100000085578 [0,2,0,0,0,0|1,0,0]=3 18091 B11R0.159 CCCCCOCC[N+](C)(C)C 7a_100000210253_100000085578 [0,2,0,0,0,0|1,0,0]=3 18092 B11R0.159 CCCCCOCC[N+](C)(C)C 7a_200020618287_100000210326 [0,2,0,0,0,0|1,0,0]=3 18093 B11R0.159 CCCCCOCC[Si](C)(C)C 34a_100000210253_200000733723 [0,2,0,0,0,0|0,1,0]=3 18094 B11R0.159 CCCCCOCC[Si](C)(C)C 7a_100000039746_100000210326 [0,2,0,0,0,0|0,1,0]=3 18095 B11R0.159 CCCCCOCC[Si](C)(C)C 7a_100000210253_200000733723 [0,2,0,0,0,0|0,1,0]=3 18096 B11R0.159 CCCCCSCCC(C)(C)C 62a_100000210326_100000755188 [0,2,0,0,0,0|0,1,0]=3 18097 B11R0.159 CCCCCSCCC(C)(C)C 62a_100000755188_100000210326 [0,2,0,0,0,0|0,1,0]=3 18098 B11R0.159 CCCCCSCCC(C)(C)O 62a_100000210326_100000702414 [0,2,0,0,0,0|0,1,0]=3 18099 B11R0.159 CCCCCSCCC(C)(C)O 62a_100000702414_100000210326 [0,2,0,0,0,0|0,1,0]=3 18100 B11R0.159 CCCCCSCCC(F)(F)F 62a_100000210326_100011219754 [0,2,0,0,0,0|1,1,0]=4 18101 B11R0.159 CCCCCSCCC(F)(F)F 62a_100011219754_100000210326 [0,2,0,0,0,0|1,1,0]=4 18102 B11R0.159 CCCCCSCCS(=O)(=O)C 62a_100000210326_100000230027 [0,2,0,0,0,0|1,1,0]=4 18103 B11R0.159 CCCCCSCCS(=O)(=O)C 62a_100000731031_100000210326 [0,2,0,0,0,0|1,1,0]=4 18104 B11R0.159 CCCCCSCC[N+](C)(C)C 62a_100000085578_100000210326 [0,2,0,0,0,0|1,1,0]=4 18105 B11R0.159 CCCCCSCC[N+](C)(C)C 62a_100000210326_100000085578 [0,2,0,0,0,0|1,1,0]=4 18106 B11R0.159 CCCCCSCC[Si](C)(C)C 62a_100000210326_200000733723 [0,2,0,0,0,0|0,2,0]=4 18107 B11R0.159 CCCCCSCC[Si](C)(C)C 62a_200000733723_100000210326 [0,2,0,0,0,0|0,2,0]=4 18108 B11R0.159 CCCCNCCCC(C)(C)O 2230a_100000102301_100009888830 [0,2,0,0,0,0|1,0,0]=3 18109 B11R0.159 CCCCNCCCC(C)(C)O 7a_106832991798_100009888830 [0,2,0,0,0,0|1,0,0]=3 18110 B11R0.159 CCCCNCCCC(F)(F)F 2230a_100000102301_100011215983 [0,2,0,0,0,0|2,0,0]=4 18111 B11R0.159 CCCCNCCCC(F)(F)F 2230a_100000727188_100000210211 [0,2,0,0,0,0|2,0,0]=4 18112 B11R0.159 CCCCNCCCC(F)(F)F 34a_100000727188_100000210210 [0,2,0,0,0,0|2,0,0]=4 18113 B11R0.159 CCCCNCCCC(F)(F)F 7a_106832991798_100011216173 [0,2,0,0,0,0|2,0,0]=4 18114 B11R0.159 CCCCNCCCS(=O)(=O)C 2230a_100000102301_100000754308 [0,2,0,0,0,0|2,0,0]=4 18115 B11R0.159 CCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210211 [0,2,0,0,0,0|2,0,0]=4 18116 B11R0.159 CCCCNCCCS(=O)(=O)C 34a_100000742409_100000210210 [0,2,0,0,0,0|2,0,0]=4 18117 B11R0.159 CCCCNCCCS(=O)(=O)C 7a_106832991798_100000754308 [0,2,0,0,0,0|2,0,0]=4 18118 B11R0.159 CCCCNCCC[N+](C)(C)C 2230a_100000102301_100016990835 [0,2,0,0,0,0|2,0,0]=4 18119 B11R0.159 CCCCNCCC[N+](C)(C)C 7a_106832991798_100016990835 [0,2,0,0,0,0|2,0,0]=4 18120 B11R0.159 CCCCNCCC[Si](C)(C)C 2230a_100000102301_100011219597 [0,2,0,0,0,0|1,1,0]=4 18121 B11R0.159 CCCCNCCC[Si](C)(C)C 7a_106832991798_100011219597 [0,2,0,0,0,0|1,1,0]=4 18122 B11R0.159 CCCCNCCOC(C)(C)C 2230a_100000747557_100000210211 [0,2,0,0,0,0|2,0,0]=4 18123 B11R0.159 CCCCNCCSC(C)(C)C 2230a_100000689375_100000210211 [0,2,0,0,0,0|2,0,0]=4 18124 B11R0.159 CCCCOCCCC(C)(C)O 34a_100000210227_100009888830 [0,2,0,0,0,0|0,0,0]=2 18125 B11R0.159 CCCCOCCCC(C)(C)O 7a_100000210227_100009888830 [0,2,0,0,0,0|0,0,0]=2 18126 B11R0.159 CCCCOCCCC(F)(F)F 34a_100000210227_100011215983 [0,2,0,0,0,0|1,0,0]=3 18127 B11R0.159 CCCCOCCCC(F)(F)F 34a_100000749235_100000210210 [0,2,0,0,0,0|1,0,0]=3 18128 B11R0.159 CCCCOCCCC(F)(F)F 7a_100000210227_100011216173 [0,2,0,0,0,0|1,0,0]=3 18129 B11R0.159 CCCCOCCCS(=O)(=O)C 34a_100000210227_100000754308 [0,2,0,0,0,0|1,0,0]=3 18130 B11R0.159 CCCCOCCCS(=O)(=O)C 34a_100000689940_100000210210 [0,2,0,0,0,0|1,0,0]=3 18131 B11R0.159 CCCCOCCCS(=O)(=O)C 7a_100000210227_100000754308 [0,2,0,0,0,0|1,0,0]=3 18132 B11R0.159 CCCCOCCCS(=O)(=O)C 7a_100000689940_100000210211 [0,2,0,0,0,0|1,0,0]=3 18133 B11R0.159 CCCCOCCCS(=O)(=O)N 34a_100000210227_100000750626 [0,2,0,0,0,0|2,0,0]=4 18134 B11R0.159 CCCCOCCCS(=O)(=O)N 7a_100000210227_100000750626 [0,2,0,0,0,0|2,0,0]=4 18135 B11R0.159 CCCCOCCCS(=O)(=O)[O-] 34a_100000210227_100009813499 [0,2,0,0,0,0|2,0,0]=4 18136 B11R0.159 CCCCOCCC[N+](C)(C)C 34a_100000210227_100016990835 [0,2,0,0,0,0|1,0,0]=3 18137 B11R0.159 CCCCOCCC[N+](C)(C)C 7a_100000210227_100016990835 [0,2,0,0,0,0|1,0,0]=3 18138 B11R0.159 CCCCOCCC[Si](C)(C)C 34a_100000210227_100011219597 [0,2,0,0,0,0|0,1,0]=3 18139 B11R0.159 CCCCOCCC[Si](C)(C)C 7a_100000210227_100011219597 [0,2,0,0,0,0|0,1,0]=3 18140 B11R0.159 CCCCOCCC[Si](C)(C)C 7a_200011215415_100000210211 [0,2,0,0,0,0|0,1,0]=3 18141 B11R0.159 CCCCOCCNC(C)(C)C 2230a_100000715429_100000743108 [0,2,0,0,0,0|1,0,0]=3 18142 B11R0.159 CCCCOCCNS(=O)(=O)C 7a_100000210227_100000754112 [0,2,0,0,0,0|2,0,0]=4 18143 B11R0.159 CCCCOCCOC(C)(C)C 34a_100000210238_100000210625 [0,2,0,0,0,0|1,0,0]=3 18144 B11R0.159 CCCCOCCOC(C)(C)C 34a_100000693234_100000210210 [0,2,0,0,0,0|1,0,0]=3 18145 B11R0.159 CCCCOCCOC(C)(C)C 34a_100015890283_100000743108 [0,2,0,0,0,0|1,0,0]=3 18146 B11R0.159 CCCCOCCOC(C)(C)C 7a_100000693234_100000210211 [0,2,0,0,0,0|1,0,0]=3 18147 B11R0.159 CCCCOCCOC(C)(C)C 7a_100015890283_100000743108 [0,2,0,0,0,0|1,0,0]=3 18148 B11R0.159 CCCCOCCOC(F)(F)F 34a_100000210238_200103152311 [0,2,0,0,0,0|2,0,0]=4 18149 B11R0.159 CCCCOCCOC(F)(F)F 34a_100000761981_100000210210 [0,2,0,0,0,0|2,0,0]=4 18150 B11R0.159 CCCCOCCOC(F)(F)F 7a_100000210238_200000243211 [0,2,0,0,0,0|2,0,0]=4 18151 B11R0.159 CCCCOCCOS(=O)(=O)C 34a_100000210227_200000036756 [0,2,0,0,0,0|2,0,0]=4 18152 B11R0.159 CCCCOCCOS(=O)(=O)C 7a_100000210227_200000036756 [0,2,0,0,0,0|2,0,0]=4 18153 B11R0.159 CCCCOCCO[Si](C)(C)C 34a_100000210227_200000032530 [0,2,0,0,0,0|1,1,0]=4 18154 B11R0.159 CCCCOCCO[Si](C)(C)C 7a_100000210227_200000032530 [0,2,0,0,0,0|1,1,0]=4 18155 B11R0.159 CCCCOCCSC(C)(C)C 62a_100000211941_100000743108 [0,2,0,0,0,0|1,0,0]=3 18156 B11R0.159 CCCCOCCSC(C)(C)C 62a_100000743108_100000211941 [0,2,0,0,0,0|1,0,0]=3 18157 B11R0.159 CCCCOCCSC(F)(F)F 62a_100000743108_200103152311 [0,2,0,0,0,0|2,0,0]=4 18158 B11R0.159 CCCCOCCSC(F)(F)F 62a_200000243211_100000743108 [0,2,0,0,0,0|2,0,0]=4 18159 B11R0.159 CCCCOCNCC(C)(C)C 2230a_100000743828_100011995733 [0,2,0,0,0,0|1,0,0]=3 18160 B11R0.159 CCCCOCNCC(C)(C)F 2230a_100020643315_100011995733 [0,2,0,0,0,0|1,0,0]=3 18161 B11R0.159 CCCCOCNCC(C)(C)O 2230a_100000751335_100011995733 [0,2,0,0,0,0|1,0,0]=3 18162 B11R0.159 CCCCOCNCC(F)(F)F 34a_100000717047_100011995733 [0,2,0,0,0,0|2,0,0]=4 18163 B11R0.159 CCCCOCOCC(C)(C)F 34a_100000716592_100011995733 [0,2,0,0,0,0|1,0,0]=3 18164 B11R0.159 CCCCOCOCC(C)(F)F 34a_100000068830_100011995733 [0,2,0,0,0,0|1,0,0]=3 18165 B11R0.159 CCCCOCOCC(F)(F)Br 34a_100011217949_100011995733 [0,2,0,0,0,0|2,0,0]=4 18166 B11R0.159 CCCCOCOCC(F)(F)Cl 34a_100000734434_100011995733 [0,2,0,0,0,0|2,0,0]=4 18167 B11R0.159 CCCCOCOCC(F)(F)F 34a_100000210435_100011995733 [0,2,0,0,0,0|2,0,0]=4 18168 B11R0.159 CCCCOCSCC(C)(C)C 62a_100011219605_100011995733 [0,2,0,0,0,0|1,0,0]=3 18169 B11R0.159 CCCCOCSCC(C)(C)C 62a_100011995733_100011219605 [0,2,0,0,0,0|1,0,0]=3 18170 B11R0.159 CCCCOCSCC(C)(C)F 62a_100011995733_100011997219 [0,2,0,0,0,0|1,0,0]=3 18171 B11R0.159 CCCCOCSCC(C)(C)F 62a_100011997219_100011995733 [0,2,0,0,0,0|1,0,0]=3 18172 B11R0.159 CCCCOCSCC(C)(C)O 62a_100000764493_100011995733 [0,2,0,0,0,0|1,0,0]=3 18173 B11R0.159 CCCCOCSCC(C)(C)O 62a_100011995733_100000764493 [0,2,0,0,0,0|1,0,0]=3 18174 B11R0.159 CCCCOCSCC(F)(F)F 62a_100000763148_100011995733 [0,2,0,0,0,0|2,0,0]=4 18175 B11R0.159 CCCCOCSCC(F)(F)F 62a_100011995733_100000763148 [0,2,0,0,0,0|2,0,0]=4 18176 B11R0.159 CCCCOCSC[N+](C)(C)C 62a_100011995733_200000036245 [0,2,0,0,0,0|2,0,0]=4 18177 B11R0.159 CCCCOCSC[N+](C)(C)C 62a_200000036245_100011995733 [0,2,0,0,0,0|2,0,0]=4 18178 B11R0.159 CCCCOCSC[Si](C)(C)C 62a_100000037933_100011995733 [0,2,0,0,0,0|1,1,0]=4 18179 B11R0.159 CCCCOCSC[Si](C)(C)C 62a_100011995733_100000037933 [0,2,0,0,0,0|1,1,0]=4 18180 B11R0.159 CCCCSCCCC(C)(C)O 62a_100000210211_100009888830 [0,2,0,0,0,0|0,1,0]=3 18181 B11R0.159 CCCCSCCCC(C)(C)O 62a_100009888830_100000210210 [0,2,0,0,0,0|0,1,0]=3 18182 B11R0.159 CCCCSCCCC(F)(F)F 62a_100000210211_100011216173 [0,2,0,0,0,0|1,1,0]=4 18183 B11R0.159 CCCCSCCCC(F)(F)F 62a_100011216173_100000210210 [0,2,0,0,0,0|1,1,0]=4 18184 B11R0.159 CCCCSCCCS(=O)(=O)C 62a_100000210211_100000754308 [0,2,0,0,0,0|1,1,0]=4 18185 B11R0.159 CCCCSCCCS(=O)(=O)C 62a_100000754308_100000210210 [0,2,0,0,0,0|1,1,0]=4 18186 B11R0.159 CCCCSCCC[N+](C)(C)C 62a_100000210211_100016990835 [0,2,0,0,0,0|1,1,0]=4 18187 B11R0.159 CCCCSCCC[N+](C)(C)C 62a_100016990835_100000210210 [0,2,0,0,0,0|1,1,0]=4 18188 B11R0.159 CCCCSCCC[Si](C)(C)C 62a_100000210211_100011219597 [0,2,0,0,0,0|0,2,0]=4 18189 B11R0.159 CCCCSCCC[Si](C)(C)C 62a_100011219597_100000210210 [0,2,0,0,0,0|0,2,0]=4 18190 B11R0.159 CCCCSCCOC(C)(C)C 34a_200000230436_100000210625 [0,2,0,0,0,0|1,1,0]=4 18191 B11R0.159 CCCOCOCC[Si](C)(C)C 34a_100000210258_100000032501 [0,2,0,0,0,0|1,1,0]=4 18192 B11R0.159 CCCSCOCC[Si](C)(C)C 62a_100000032501_100000210303 [0,2,0,0,0,0|1,1,0]=4 18193 B11R0.159 CCCSCOCC[Si](C)(C)C 62a_100000210303_100000032501 [0,2,0,0,0,0|1,1,0]=4 18194 B11R0.159 CCNCCCCCC(C)(C)O 2230a_100015525214_100010402123 [0,2,0,0,0,0|2,0,0]=4 18195 B11R0.159 CCOCCCCCC(C)(C)O 34a_100121572206_100010402123 [0,2,0,0,0,0|2,0,0]=4 18196 B11R0.159 CCOCCNCCC(C)(C)C 2230a_100000738805_100011215890 [0,2,0,0,0,0|2,0,0]=4 18197 B11R0.159 CCOCCNCCC(C)(C)C 2230a_102516460346_100000755188 [0,2,0,0,0,0|2,0,0]=4 18198 B11R0.159 CCOCCNCCC(C)(C)C 34a_102516460346_100000755188 [0,2,0,0,0,0|2,0,0]=4 18199 B11R0.159 CCOCCNCCC(C)(C)F 2230a_100016253952_100011215890 [0,2,0,0,0,0|2,0,0]=4 18200 B11R0.159 CCOCCNCCC(C)(C)O 2230a_102516460346_100000702414 [0,2,0,0,0,0|2,0,0]=4 18201 B11R0.159 CCOCCNCCC(C)(C)O 34a_102516460346_100000702414 [0,2,0,0,0,0|2,0,0]=4 18202 B11R0.159 CCOCCOCCC(C)(C)C 34a_100000210136_100000755188 [0,2,0,0,0,0|1,0,0]=3 18203 B11R0.159 CCOCCOCCC(C)(C)C 7a_100000210136_100000755188 [0,2,0,0,0,0|1,0,0]=3 18204 B11R0.159 CCOCCOCCC(C)(C)C 7a_100000765024_100011215890 [0,2,0,0,0,0|1,0,0]=3 18205 B11R0.159 CCOCCOCCC(C)(C)O 34a_100000210136_100000702414 [0,2,0,0,0,0|1,0,0]=3 18206 B11R0.159 CCOCCOCCC(C)(C)O 7a_100000210136_100000702414 [0,2,0,0,0,0|1,0,0]=3 18207 B11R0.159 CCOCCOCCC(F)(F)F 34a_100000210136_100011219754 [0,2,0,0,0,0|2,0,0]=4 18208 B11R0.159 CCOCCOCCC(F)(F)F 34a_100000752437_100000210147 [0,2,0,0,0,0|2,0,0]=4 18209 B11R0.159 CCOCCOCCC(F)(F)F 7a_100000210136_100011219754 [0,2,0,0,0,0|2,0,0]=4 18210 B11R0.159 CCOCCOCCS(=O)(=O)C 34a_100000210136_100000731031 [0,2,0,0,0,0|2,0,0]=4 18211 B11R0.159 CCOCCOCCS(=O)(=O)C 34a_100000211924_100000210147 [0,2,0,0,0,0|2,0,0]=4 18212 B11R0.159 CCOCCOCCS(=O)(=O)C 7a_100000210136_100000230027 [0,2,0,0,0,0|2,0,0]=4 18213 B11R0.159 CCOCCOCCS(=O)(=O)C 7a_100000211924_100011215890 [0,2,0,0,0,0|2,0,0]=4 18214 B11R0.159 CCOCCOCC[N+](C)(C)C 34a_100000210136_100000085578 [0,2,0,0,0,0|2,0,0]=4 18215 B11R0.159 CCOCCOCC[N+](C)(C)C 7a_100000210136_100000085578 [0,2,0,0,0,0|2,0,0]=4 18216 B11R0.159 CCOCCOCC[N+](C)(C)C 7a_200020618287_100011215890 [0,2,0,0,0,0|2,0,0]=4 18217 B11R0.159 CCOCCOCC[Si](C)(C)C 34a_100000210136_200000733723 [0,2,0,0,0,0|1,1,0]=4 18218 B11R0.159 CCOCCOCC[Si](C)(C)C 7a_100000039746_100011215890 [0,2,0,0,0,0|1,1,0]=4 18219 B11R0.159 CCOCCOCC[Si](C)(C)C 7a_100000210136_200000733723 [0,2,0,0,0,0|1,1,0]=4 18220 B11R0.159 CCOCCSCCC(C)(C)C 62a_100000210147_100000755188 [0,2,0,0,0,0|1,1,0]=4 18221 B11R0.159 CCOCCSCCC(C)(C)C 62a_100000755188_100011215890 [0,2,0,0,0,0|1,1,0]=4 18222 B11R0.159 CCOCCSCCC(C)(C)O 62a_100000210147_100000702414 [0,2,0,0,0,0|1,1,0]=4 18223 B11R0.159 CCOCCSCCC(C)(C)O 62a_100000702414_100011215890 [0,2,0,0,0,0|1,1,0]=4 18224 B11R0.159 CCOCSCCCC(C)(C)O 62a_100000739092_100009888830 [0,2,0,0,0,0|1,1,0]=4 18225 B11R0.159 CCOCSCCCC(C)(C)O 62a_100009888830_100000739092 [0,2,0,0,0,0|1,1,0]=4 18226 B11R0.159 CCSCCCCCC(C)(C)O 62a_100000210202_100010402123 [0,2,0,0,0,0|2,0,0]=4 18227 B11R0.159 CCSCCCCCC(C)(C)O 62a_100010402123_100000210202 [0,2,0,0,0,0|2,0,0]=4 18228 B11R0.159 CCSCCNCCC(C)(C)C 2230a_100000106463_100000755188 [0,2,0,0,0,0|2,0,0]=4 18229 B11R0.159 CCSCCNCCC(C)(C)C 2230a_100000738805_100000757381 [0,2,0,0,0,0|2,0,0]=4 18230 B11R0.159 CCSCCNCCC(C)(C)F 2230a_100016253952_100000757381 [0,2,0,0,0,0|2,0,0]=4 18231 B11R0.159 CCSCCNCCC(C)(C)O 2230a_100000106463_100000702414 [0,2,0,0,0,0|2,0,0]=4 18232 B11R0.159 CCSCCOCCC(C)(C)C 34a_100000212035_100000755188 [0,2,0,0,0,0|1,0,0]=3 18233 B11R0.159 CCSCCOCCC(C)(C)C 7a_100000212035_100000755188 [0,2,0,0,0,0|1,0,0]=3 18234 B11R0.159 CCSCCOCCC(C)(C)C 7a_100000765024_100000757381 [0,2,0,0,0,0|1,0,0]=3 18235 B11R0.159 CCSCCOCCC(C)(C)O 34a_100000212035_100000702414 [0,2,0,0,0,0|1,0,0]=3 18236 B11R0.159 CCSCCOCCC(C)(C)O 7a_100000212035_100000702414 [0,2,0,0,0,0|1,0,0]=3 18237 B11R0.159 CCSCCOCCC(F)(F)F 34a_100000212035_100011219754 [0,2,0,0,0,0|2,0,0]=4 18238 B11R0.159 CCSCCOCCC(F)(F)F 34a_100000752437_100000757381 [0,2,0,0,0,0|2,0,0]=4 18239 B11R0.159 CCSCCOCCC(F)(F)F 7a_100000212035_100011219754 [0,2,0,0,0,0|2,0,0]=4 18240 B11R0.159 CCSCCOCCS(=O)(=O)C 34a_100000211924_100000757381 [0,2,0,0,0,0|2,0,0]=4 18241 B11R0.159 CCSCCOCCS(=O)(=O)C 34a_100000212035_100000731031 [0,2,0,0,0,0|2,0,0]=4 18242 B11R0.159 CCSCCOCCS(=O)(=O)C 7a_100000211924_100000757381 [0,2,0,0,0,0|2,0,0]=4 18243 B11R0.159 CCSCCOCCS(=O)(=O)C 7a_100000212035_100000230027 [0,2,0,0,0,0|2,0,0]=4 18244 B11R0.159 CCSCCOCC[N+](C)(C)C 34a_100000212035_100000085578 [0,2,0,0,0,0|2,0,0]=4 18245 B11R0.159 CCSCCOCC[N+](C)(C)C 7a_100000212035_100000085578 [0,2,0,0,0,0|2,0,0]=4 18246 B11R0.159 CCSCCOCC[N+](C)(C)C 7a_200020618287_100000757381 [0,2,0,0,0,0|2,0,0]=4 18247 B11R0.159 CCSCCOCC[Si](C)(C)C 34a_100000212035_200000733723 [0,2,0,0,0,0|1,1,0]=4 18248 B11R0.159 CCSCCOCC[Si](C)(C)C 7a_100000039746_100000757381 [0,2,0,0,0,0|1,1,0]=4 18249 B11R0.159 CCSCCOCC[Si](C)(C)C 7a_100000212035_200000733723 [0,2,0,0,0,0|1,1,0]=4 18250 B11R0.159 CCSCCSCCC(C)(C)C 62a_100000755188_100000757381 [0,2,0,0,0,0|1,1,0]=4 18251 B11R0.159 CCSCCSCCC(C)(C)C 62a_100000757381_100000755188 [0,2,0,0,0,0|1,1,0]=4 18252 B11R0.159 CCSCCSCCC(C)(C)O 62a_100000702414_100000757381 [0,2,0,0,0,0|1,1,0]=4 18253 B11R0.159 CCSCCSCCC(C)(C)O 62a_100000757381_100000702414 [0,2,0,0,0,0|1,1,0]=4 18254 B11R0.159 CNCCCOCCC(C)(C)C 34a_100000213112_100000755188 [0,2,0,0,0,0|1,0,0]=3 18255 B11R0.159 CNCCCOCCC(C)(C)O 34a_100000213112_100000702414 [0,2,0,0,0,0|1,0,0]=3 18256 B11R0.159 CNCCCOCCC(F)(F)F 34a_100000213112_100011219754 [0,2,0,0,0,0|2,0,0]=4 18257 B11R0.159 CNCCCOCCS(=O)(=O)C 34a_100000213112_100000731031 [0,2,0,0,0,0|2,0,0]=4 18258 B11R0.159 CNCCCOCC[N+](C)(C)C 34a_100000213112_100000085578 [0,2,0,0,0,0|2,0,0]=4 18259 B11R0.159 CNCCCOCC[Si](C)(C)C 34a_100000213112_200000733723 [0,2,0,0,0,0|1,1,0]=4 18260 B11R0.159 CNCCOCCOC(C)(C)C 34a_100000228057_100000210625 [0,2,0,0,0,0|2,0,0]=4 18261 B11R0.159 COCCCNCCC(C)(C)C 2230a_100000738805_100000740836 [0,2,0,0,0,0|2,0,0]=4 18262 B11R0.159 COCCCNCCC(C)(C)C 34a_100150723488_100000755188 [0,2,0,0,0,0|2,0,0]=4 18263 B11R0.159 COCCCNCCC(C)(C)F 2230a_100016253952_100000740836 [0,2,0,0,0,0|2,0,0]=4 18264 B11R0.159 COCCCNCCC(C)(C)O 34a_100150723488_100000702414 [0,2,0,0,0,0|2,0,0]=4 18265 B11R0.159 COCCCOCCC(C)(C)C 34a_100000740835_100000755188 [0,2,0,0,0,0|1,0,0]=3 18266 B11R0.159 COCCCOCCC(C)(C)C 7a_100000765024_100000740836 [0,2,0,0,0,0|1,0,0]=3 18267 B11R0.159 COCCCOCCC(C)(C)O 34a_100000740835_100000702414 [0,2,0,0,0,0|1,0,0]=3 18268 B11R0.159 COCCCOCCC(F)(F)F 34a_100000740835_100011219754 [0,2,0,0,0,0|2,0,0]=4 18269 B11R0.159 COCCCOCCC(F)(F)F 34a_100000752437_100000740836 [0,2,0,0,0,0|2,0,0]=4 18270 B11R0.159 COCCCOCCS(=O)(=O)C 34a_100000211924_100000740836 [0,2,0,0,0,0|2,0,0]=4 18271 B11R0.159 COCCCOCCS(=O)(=O)C 34a_100000740835_100000731031 [0,2,0,0,0,0|2,0,0]=4 18272 B11R0.159 COCCCOCCS(=O)(=O)C 7a_100000211924_100000740836 [0,2,0,0,0,0|2,0,0]=4 18273 B11R0.159 COCCCOCC[N+](C)(C)C 34a_100000740835_100000085578 [0,2,0,0,0,0|2,0,0]=4 18274 B11R0.159 COCCCOCC[N+](C)(C)C 7a_200020618287_100000740836 [0,2,0,0,0,0|2,0,0]=4 18275 B11R0.159 COCCCOCC[Si](C)(C)C 34a_100000740835_200000733723 [0,2,0,0,0,0|1,1,0]=4 18276 B11R0.159 COCCCOCC[Si](C)(C)C 7a_100000039746_100000740836 [0,2,0,0,0,0|1,1,0]=4 18277 B11R0.159 COCCCSCCC(C)(C)C 62a_100000709357_100000755188 [0,2,0,0,0,0|1,1,0]=4 18278 B11R0.159 COCCCSCCC(C)(C)C 62a_100000755188_100000709357 [0,2,0,0,0,0|1,1,0]=4 18279 B11R0.159 COCCCSCCC(C)(C)O 62a_100000702414_100000709357 [0,2,0,0,0,0|1,1,0]=4 18280 B11R0.159 COCCCSCCC(C)(C)O 62a_100000709357_100000702414 [0,2,0,0,0,0|1,1,0]=4 18281 B11R0.159 COCCNCCCC(C)(C)O 2230a_100000209980_100009888830 [0,2,0,0,0,0|2,0,0]=4 18282 B11R0.159 COCCOCCCC(C)(C)O 34a_100000210237_100009888830 [0,2,0,0,0,0|1,0,0]=3 18283 B11R0.159 COCCOCCCC(F)(F)F 34a_100000210237_100011215983 [0,2,0,0,0,0|2,0,0]=4 18284 B11R0.159 COCCOCCCC(F)(F)F 34a_100000749235_100011201679 [0,2,0,0,0,0|2,0,0]=4 18285 B11R0.159 COCCOCCCS(=O)(=O)C 34a_100000210237_100000754308 [0,2,0,0,0,0|2,0,0]=4 18286 B11R0.159 COCCOCCCS(=O)(=O)C 34a_100000689940_100011201679 [0,2,0,0,0,0|2,0,0]=4 18287 B11R0.159 COCCOCCCS(=O)(=O)C 7a_100000689940_100000233755 [0,2,0,0,0,0|2,0,0]=4 18288 B11R0.159 COCCOCCC[N+](C)(C)C 34a_100000210237_100016990835 [0,2,0,0,0,0|2,0,0]=4 18289 B11R0.159 COCCOCCC[Si](C)(C)C 34a_100000210237_100011219597 [0,2,0,0,0,0|1,1,0]=4 18290 B11R0.159 COCCOCCC[Si](C)(C)C 7a_200011215415_100000233755 [0,2,0,0,0,0|1,1,0]=4 18291 B11R0.159 COCCOCCNC(C)(C)C 2230a_100000715429_100000695917 [0,2,0,0,0,0|2,0,0]=4 18292 B11R0.159 COCCOCCNC(C)(C)C 34a_100000745349_100000210625 [0,2,0,0,0,0|2,0,0]=4 18293 B11R0.159 COCCOCCOC(C)(C)C 34a_100000693234_100011201679 [0,2,0,0,0,0|2,0,0]=4 18294 B11R0.159 COCCOCCOC(C)(C)C 34a_100011215163_100000210625 [0,2,0,0,0,0|2,0,0]=4 18295 B11R0.159 COCCOCCOC(C)(C)C 34a_100011997631_200000210301 [0,2,0,0,0,0|2,0,0]=4 18296 B11R0.159 COCCOCCOC(C)(C)C 34a_100015890283_100000695917 [0,2,0,0,0,0|2,0,0]=4 18297 B11R0.159 COCCOCCOC(C)(C)C 7a_100000693234_100000233755 [0,2,0,0,0,0|2,0,0]=4 18298 B11R0.159 COCCOCCOC(C)(C)C 7a_100011997631_200000210301 [0,2,0,0,0,0|2,0,0]=4 18299 B11R0.159 COCCOCCOC(C)(C)C 7a_100015890283_100000695917 [0,2,0,0,0,0|2,0,0]=4 18300 B11R0.159 COCCOCCSC(C)(C)C 62a_100000211941_100000695917 [0,2,0,0,0,0|2,0,0]=4 18301 B11R0.159 COCCOCCSC(C)(C)C 62a_100000695917_100000211941 [0,2,0,0,0,0|2,0,0]=4 18302 B11R0.159 COCCOCNCC(C)(C)C 2230a_100000743828_100000231047 [0,2,0,0,0,0|2,0,0]=4 18303 B11R0.159 COCCOCNCC(C)(C)F 2230a_100020643315_100000231047 [0,2,0,0,0,0|2,0,0]=4 18304 B11R0.159 COCCOCNCC(C)(C)O 2230a_100000751335_100000231047 [0,2,0,0,0,0|2,0,0]=4 18305 B11R0.159 COCCOCSCC(C)(C)C 62a_100000231047_100011219605 [0,2,0,0,0,0|2,0,0]=4 18306 B11R0.159 COCCOCSCC(C)(C)C 62a_100011219605_100000231047 [0,2,0,0,0,0|2,0,0]=4 18307 B11R0.159 COCCOCSCC(C)(C)F 62a_100000231047_100011997219 [0,2,0,0,0,0|2,0,0]=4 18308 B11R0.159 COCCOCSCC(C)(C)F 62a_100011997219_100000231047 [0,2,0,0,0,0|2,0,0]=4 18309 B11R0.159 COCCOCSCC(C)(C)O 62a_100000231047_100000764493 [0,2,0,0,0,0|2,0,0]=4 18310 B11R0.159 COCCOCSCC(C)(C)O 62a_100000764493_100000231047 [0,2,0,0,0,0|2,0,0]=4 18311 B11R0.159 COCCSCCCC(C)(C)O 62a_100000233755_100009888830 [0,2,0,0,0,0|1,1,0]=4 18312 B11R0.159 COCCSCCCC(C)(C)O 62a_100009888830_100000233755 [0,2,0,0,0,0|1,1,0]=4 18313 B11R0.159 CS(=O)(=O)CCCOCCCBr 34a_100011217188_100000754308 [0,2,0,0,0,0|2,0,0]=4 18314 B11R0.159 CS(=O)(=O)CCCOCCCCl 34a_100000230001_100000754308 [0,2,0,0,0,0|2,0,0]=4 18315 B11R0.159 CS(=O)(=O)CCCOCCCF 34a_100000689940_100011934791 [0,2,0,0,0,0|2,0,0]=4 18316 B11R0.159 CS(=O)(=O)CCCOCCCF 34a_100000759539_100000754308 [0,2,0,0,0,0|2,0,0]=4 18317 B11R0.159 CS(=O)(=O)CCCOCCCF 7a_100000689940_100011934791 [0,2,0,0,0,0|2,0,0]=4 18318 B11R0.159 CS(=O)(=O)CCCOCCCN 34a_100000182051_100000754308 [0,2,0,0,0,0|2,0,0]=4 18319 B11R0.159 CS(=O)(=O)CCCOCCCO 34a_100000689940_100000230001 [0,2,0,0,0,0|2,0,0]=4 18320 B11R0.159 CS(=O)(=O)CCCOCCCO 7a_100000689940_100011215043 [0,2,0,0,0,0|2,0,0]=4 18321 B11R0.159 CS(=O)(=O)CCOCCCCBr 34a_100011216708_100000731031 [0,2,0,0,0,0|2,0,0]=4 18322 B11R0.159 CS(=O)(=O)CCOCCCCCl 34a_100000210776_100000731031 [0,2,0,0,0,0|2,0,0]=4 18323 B11R0.159 CS(=O)(=O)CCOCCCCCl 7a_100000210776_100000230027 [0,2,0,0,0,0|2,0,0]=4 18324 B11R0.159 CS(=O)(=O)CCOCCCCF 34a_100000211924_100000729493 [0,2,0,0,0,0|2,0,0]=4 18325 B11R0.159 CS(=O)(=O)CCOCCCCF 34a_100011995726_100000731031 [0,2,0,0,0,0|2,0,0]=4 18326 B11R0.159 CS(=O)(=O)CCOCCCCF 7a_100000211924_100000729493 [0,2,0,0,0,0|2,0,0]=4 18327 B11R0.159 CS(=O)(=O)CCOCCCCF 7a_100011995726_100000230027 [0,2,0,0,0,0|2,0,0]=4 18328 B11R0.159 CS(=O)(=O)CCOCCCCI 34a_200012148704_100000731031 [0,2,0,0,0,0|2,0,0]=4 18329 B11R0.159 CS(=O)(=O)CCOCCCCN 34a_100000750430_100000731031 [0,2,0,0,0,0|2,0,0]=4 18330 B11R0.159 CS(=O)(=O)CCOCCCCO 34a_100000211924_100011216708 [0,2,0,0,0,0|2,0,0]=4 18331 B11R0.159 CS(=O)(=O)CCOCCCCO 7a_100000211924_100000210776 [0,2,0,0,0,0|2,0,0]=4 18332 B11R0.159 CSCCCNCCC(C)(C)C 2230a_100000749238_100000755188 [0,2,0,0,0,0|2,0,0]=4 18333 B11R0.159 CSCCCNCCC(C)(C)O 2230a_100000749238_100000702414 [0,2,0,0,0,0|2,0,0]=4 18334 B11R0.159 CSCCCOCCC(C)(C)C 34a_100000690336_100000755188 [0,2,0,0,0,0|1,0,0]=3 18335 B11R0.159 CSCCCOCCC(C)(C)C 7a_100000690336_100000755188 [0,2,0,0,0,0|1,0,0]=3 18336 B11R0.159 CSCCCOCCC(C)(C)O 34a_100000690336_100000702414 [0,2,0,0,0,0|1,0,0]=3 18337 B11R0.159 CSCCCOCCC(C)(C)O 7a_100000690336_100000702414 [0,2,0,0,0,0|1,0,0]=3 18338 B11R0.159 CSCCCOCCC(F)(F)F 34a_100000690336_100011219754 [0,2,0,0,0,0|2,0,0]=4 18339 B11R0.159 CSCCCOCCC(F)(F)F 7a_100000690336_100011219754 [0,2,0,0,0,0|2,0,0]=4 18340 B11R0.159 CSCCCOCCS(=O)(=O)C 34a_100000690336_100000731031 [0,2,0,0,0,0|2,0,0]=4 18341 B11R0.159 CSCCCOCCS(=O)(=O)C 7a_100000690336_100000230027 [0,2,0,0,0,0|2,0,0]=4 18342 B11R0.159 CSCCCOCC[N+](C)(C)C 34a_100000690336_100000085578 [0,2,0,0,0,0|2,0,0]=4 18343 B11R0.159 CSCCCOCC[N+](C)(C)C 7a_100000690336_100000085578 [0,2,0,0,0,0|2,0,0]=4 18344 B11R0.159 CSCCCOCC[Si](C)(C)C 34a_100000690336_200000733723 [0,2,0,0,0,0|1,1,0]=4 18345 B11R0.159 CSCCCOCC[Si](C)(C)C 7a_100000690336_200000733723 [0,2,0,0,0,0|1,1,0]=4 18346 B11R0.159 CSCCNCCCC(C)(C)O 2230a_100020590264_100009888830 [0,2,0,0,0,0|2,0,0]=4 18347 B11R0.159 CSCCOCCCC(C)(C)O 34a_100000230434_100009888830 [0,2,0,0,0,0|1,0,0]=3 18348 B11R0.159 CSCCOCCCC(C)(C)O 7a_100000230434_100009888830 [0,2,0,0,0,0|1,0,0]=3 18349 B11R0.159 CSCCOCCCC(F)(F)F 34a_100000230434_100011215983 [0,2,0,0,0,0|2,0,0]=4 18350 B11R0.159 CSCCOCCCC(F)(F)F 34a_100000749235_100000212216 [0,2,0,0,0,0|2,0,0]=4 18351 B11R0.159 CSCCOCCCC(F)(F)F 7a_100000230434_100011216173 [0,2,0,0,0,0|2,0,0]=4 18352 B11R0.159 CSCCOCCCS(=O)(=O)C 34a_100000230434_100000754308 [0,2,0,0,0,0|2,0,0]=4 18353 B11R0.159 CSCCOCCCS(=O)(=O)C 34a_100000689940_100000212216 [0,2,0,0,0,0|2,0,0]=4 18354 B11R0.159 CSCCOCCCS(=O)(=O)C 7a_100000230434_100000754308 [0,2,0,0,0,0|2,0,0]=4 18355 B11R0.159 CSCCOCCCS(=O)(=O)C 7a_100000689940_100000212216 [0,2,0,0,0,0|2,0,0]=4 18356 B11R0.159 CSCCOCCC[N+](C)(C)C 34a_100000230434_100016990835 [0,2,0,0,0,0|2,0,0]=4 18357 B11R0.159 CSCCOCCC[N+](C)(C)C 7a_100000230434_100016990835 [0,2,0,0,0,0|2,0,0]=4 18358 B11R0.159 CSCCOCCC[Si](C)(C)C 34a_100000230434_100011219597 [0,2,0,0,0,0|1,1,0]=4 18359 B11R0.159 CSCCOCCC[Si](C)(C)C 7a_100000230434_100011219597 [0,2,0,0,0,0|1,1,0]=4 18360 B11R0.159 CSCCOCCC[Si](C)(C)C 7a_200011215415_100000212216 [0,2,0,0,0,0|1,1,0]=4 18361 B11R0.159 CSCCOCCOC(C)(C)C 34a_100000693234_100000212216 [0,2,0,0,0,0|2,0,0]=4 18362 B11R0.159 CSCCOCCOC(C)(C)C 7a_100000693234_100000212216 [0,2,0,0,0,0|2,0,0]=4 18363 B11R0.159 CSCCSCCCC(C)(C)O 62a_100000212216_100009888830 [0,2,0,0,0,0|1,1,0]=4 18364 B11R0.159 CSCCSCCCC(C)(C)O 62a_100009888830_100000751147 [0,2,0,0,0,0|1,1,0]=4 18365 B11R0.159 C[N+](C)(C)CCCOCCCBr 34a_100011217188_100016990835 [0,2,0,0,0,0|2,0,0]=4 18366 B11R0.159 C[N+](C)(C)CCCOCCCCl 34a_100000230001_100016990835 [0,2,0,0,0,0|2,0,0]=4 18367 B11R0.159 C[N+](C)(C)CCCOCCCF 34a_100000759539_100016990835 [0,2,0,0,0,0|2,0,0]=4 18368 B11R0.159 C[N+](C)(C)CCCOCCCN 34a_100000182051_100016990835 [0,2,0,0,0,0|2,0,0]=4 18369 B11R0.159 C[N+](C)(C)CCOCCCCBr 34a_100011216708_100000085578 [0,2,0,0,0,0|2,0,0]=4 18370 B11R0.159 C[N+](C)(C)CCOCCCCCl 34a_100000210776_100000085578 [0,2,0,0,0,0|2,0,0]=4 18371 B11R0.159 C[N+](C)(C)CCOCCCCCl 7a_100000210776_100000085578 [0,2,0,0,0,0|2,0,0]=4 18372 B11R0.159 C[N+](C)(C)CCOCCCCF 34a_100011995726_100000085578 [0,2,0,0,0,0|2,0,0]=4 18373 B11R0.159 C[N+](C)(C)CCOCCCCF 7a_100011995726_100000085578 [0,2,0,0,0,0|2,0,0]=4 18374 B11R0.159 C[N+](C)(C)CCOCCCCF 7a_200020618287_100000729493 [0,2,0,0,0,0|2,0,0]=4 18375 B11R0.159 C[N+](C)(C)CCOCCCCI 34a_200012148704_100000085578 [0,2,0,0,0,0|2,0,0]=4 18376 B11R0.159 C[N+](C)(C)CCOCCCCN 34a_100000750430_100000085578 [0,2,0,0,0,0|2,0,0]=4 18377 B11R0.159 C[N+](C)(C)CCOCCCCO 7a_200020618287_100000210776 [0,2,0,0,0,0|2,0,0]=4 18378 B11R0.159 C[Si](C)(C)CCCOCCCBr 34a_100011217188_100011219597 [0,2,0,0,0,0|1,1,0]=4 18379 B11R0.159 C[Si](C)(C)CCCOCCCCl 34a_100000230001_100011219597 [0,2,0,0,0,0|1,1,0]=4 18380 B11R0.159 C[Si](C)(C)CCCOCCCF 34a_100000759539_100011219597 [0,2,0,0,0,0|1,1,0]=4 18381 B11R0.159 C[Si](C)(C)CCCOCCCF 7a_200011215415_100011934791 [0,2,0,0,0,0|1,1,0]=4 18382 B11R0.159 C[Si](C)(C)CCCOCCCN 34a_100000182051_100011219597 [0,2,0,0,0,0|1,1,0]=4 18383 B11R0.159 C[Si](C)(C)CCCOCCCO 7a_200011215415_100011215043 [0,2,0,0,0,0|1,1,0]=4 18384 B11R0.159 C[Si](C)(C)CCOCCCCBr 34a_100011216708_200000733723 [0,2,0,0,0,0|1,1,0]=4 18385 B11R0.159 C[Si](C)(C)CCOCCCCCl 34a_100000210776_200000733723 [0,2,0,0,0,0|1,1,0]=4 18386 B11R0.159 C[Si](C)(C)CCOCCCCCl 7a_100000210776_200000733723 [0,2,0,0,0,0|1,1,0]=4 18387 B11R0.159 C[Si](C)(C)CCOCCCCF 34a_100011995726_200000733723 [0,2,0,0,0,0|1,1,0]=4 18388 B11R0.159 C[Si](C)(C)CCOCCCCF 7a_100000039746_100000729493 [0,2,0,0,0,0|1,1,0]=4 18389 B11R0.159 C[Si](C)(C)CCOCCCCF 7a_100011995726_200000733723 [0,2,0,0,0,0|1,1,0]=4 18390 B11R0.159 C[Si](C)(C)CCOCCCCI 34a_200012148704_200000733723 [0,2,0,0,0,0|1,1,0]=4 18391 B11R0.159 C[Si](C)(C)CCOCCCCN 34a_100000750430_200000733723 [0,2,0,0,0,0|1,1,0]=4 18392 B11R0.159 C[Si](C)(C)CCOCCCCO 7a_100000039746_100000210776 [0,2,0,0,0,0|1,1,0]=4 18393 B11R0.159 FC(F)(F)CCCOCCCBr 34a_100011217188_100011215983 [0,2,0,0,0,0|2,0,0]=4 18394 B11R0.159 FC(F)(F)CCCOCCCCl 34a_100000230001_100011215983 [0,2,0,0,0,0|2,0,0]=4 18395 B11R0.159 FC(F)(F)CCOCCCCBr 34a_100011216708_100011219754 [0,2,0,0,0,0|2,0,0]=4 18396 B11R0.159 FC(F)(F)CCOCCCCCl 34a_100000210776_100011219754 [0,2,0,0,0,0|2,0,0]=4 18397 B11R0.159 FC(F)(F)CCOCCCCCl 7a_100000210776_100011219754 [0,2,0,0,0,0|2,0,0]=4 18398 B11R0.159 FC(F)(F)CCOCCCCI 34a_200012148704_100011219754 [0,2,0,0,0,0|2,0,0]=4 18399 B11R0.159 FCCCCOCCC(F)(F)F 34a_100000752437_100000729493 [0,2,0,0,0,0|2,0,0]=4 18400 B11R0.159 FCCCCOCCC(F)(F)F 34a_100011995726_100011219754 [0,2,0,0,0,0|2,0,0]=4 18401 B11R0.159 FCCCCOCCC(F)(F)F 7a_100011995726_100011219754 [0,2,0,0,0,0|2,0,0]=4 18402 B11R0.159 FCCCOCCCC(F)(F)F 34a_100000749235_100011934791 [0,2,0,0,0,0|2,0,0]=4 18403 B11R0.159 FCCCOCCCC(F)(F)F 34a_100000759539_100011215983 [0,2,0,0,0,0|2,0,0]=4 18404 B11R0.159 NCCCCOCCC(F)(F)F 34a_100000750430_100011219754 [0,2,0,0,0,0|2,0,0]=4 18405 B11R0.159 NCCCOCCCC(F)(F)F 34a_100000182051_100011215983 [0,2,0,0,0,0|2,0,0]=4 18406 B11R0.159 OCCCCOCCC(F)(F)F 34a_100000752437_100011216708 [0,2,0,0,0,0|2,0,0]=4 18407 B11R0.159 OCCCOCCCC(F)(F)F 34a_100000749235_100000230001 [0,2,0,0,0,0|2,0,0]=4 18408 B11R0.3 C#CCCCCCCCCOC 34a_100000065265_200000210301 [0,2,0,0,0,0|1,0,1]=4 18409 B11R0.3 C#CCCCCCCCCOC 7a_100000065265_200000210301 [0,2,0,0,0,0|1,0,1]=4 18410 B11R0.3 C#CCCCCCCCCO[13CH3] 34a_100000065265_200025704644 [0,2,0,0,0,0|1,0,1]=4 18411 B11R0.3 C#CCCCCCCCCO[13CH3] 7a_100000065265_200025704644 [0,2,0,0,0,0|1,0,1]=4 18412 B11R0.3 C#CCCCCCCCNCC 2230a_100015525214_100153394163 [0,2,0,0,0,0|1,0,1]=4 18413 B11R0.3 C#CCCCCCCCOCC 34a_100000054614_100000210202 [0,2,0,0,0,0|1,0,1]=4 18414 B11R0.3 C#CCCCCCCCOCC 34a_100121572206_100153394163 [0,2,0,0,0,0|1,0,1]=4 18415 B11R0.3 C#CCCCCCCCOCC 7a_100000054614_100000210202 [0,2,0,0,0,0|1,0,1]=4 18416 B11R0.3 C#CCCCCCCCSCC 62a_100000210202_100153394163 [0,2,0,0,0,0|1,0,1]=4 18417 B11R0.3 C#CCCCCCCCSCC 62a_100153394163_100000210202 [0,2,0,0,0,0|1,0,1]=4 18418 B11R0.3 C#CCCCCCCOCCC 34a_100000210258_100012276617 [0,2,0,0,0,0|1,0,1]=4 18419 B11R0.3 C#CCCCCCCOCCC 34a_100011217361_100000210303 [0,2,0,0,0,0|1,0,1]=4 18420 B11R0.3 C#CCCCCCCOCCC 7a_100011217361_100000210303 [0,2,0,0,0,0|1,0,1]=4 18421 B11R0.3 C#CCCCCCCSCCC 62a_100000210303_100012276617 [0,2,0,0,0,0|1,0,1]=4 18422 B11R0.3 C#CCCCCCCSCCC 62a_100012276617_100000210303 [0,2,0,0,0,0|1,0,1]=4 18423 B11R0.3 C#CCCCCCNCCCC 2230a_100000102301_100012094781 [0,2,0,0,0,0|1,0,0]=3 18424 B11R0.3 C#CCCCCCNCCCC 7a_106832991798_100012094781 [0,2,0,0,0,0|1,0,0]=3 18425 B11R0.3 C#CCCCCCNCCCF 2230a_100015189416_100012094781 [0,2,0,0,0,0|2,0,0]=4 18426 B11R0.3 C#CCCCCCNCCCF 34a_100015189416_100012094781 [0,2,0,0,0,0|2,0,0]=4 18427 B11R0.3 C#CCCCCCNCCOC 2230a_100000209980_100012094781 [0,2,0,0,0,0|2,0,0]=4 18428 B11R0.3 C#CCCCCCNCCSC 2230a_100020590264_100012094781 [0,2,0,0,0,0|2,0,0]=4 18429 B11R0.3 C#CCCCCCOC/C=C/C 34a_100000766912_100102629194 [0,2,0,0,0,0|0,0,2]=4 18430 B11R0.3 C#CCCCCCOC/C=C/C 34a_100016270725_100012094781 [0,2,0,0,0,0|0,0,2]=4 18431 B11R0.3 C#CCCCCCOC/C=C/C 7a_100000766912_100102629194 [0,2,0,0,0,0|0,0,2]=4 18432 B11R0.3 C#CCCCCCOCC#CC 34a_100000761923_100012094781 [0,2,0,0,0,0|0,0,2]=4 18433 B11R0.3 C#CCCCCCOCC#CC 34a_100000766912_100000748600 [0,2,0,0,0,0|0,0,2]=4 18434 B11R0.3 C#CCCCCCOCC#CC 7a_100000766912_100000748600 [0,2,0,0,0,0|0,0,2]=4 18435 B11R0.3 C#CCCCCCOCC=CC 34a_100000766912_100000070051 [0,2,0,0,0,0|0,0,2]=4 18436 B11R0.3 C#CCCCCCOCC=CC 7a_100000766912_100000070051 [0,2,0,0,0,0|0,0,2]=4 18437 B11R0.3 C#CCCCCCOCCC#C 34a_100000766912_100000688953 [0,2,0,0,0,0|0,0,2]=4 18438 B11R0.3 C#CCCCCCOCCC#C 34a_100011215631_100012094781 [0,2,0,0,0,0|0,0,2]=4 18439 B11R0.3 C#CCCCCCOCCC#C 7a_100000766912_100000688953 [0,2,0,0,0,0|0,0,2]=4 18440 B11R0.3 C#CCCCCCOCCC#N 7a_100000766912_100000184422 [0,2,0,0,0,0|1,0,1]=4 18441 B11R0.3 C#CCCCCCOCCC=C 34a_100000766912_100000754431 [0,2,0,0,0,0|0,0,2]=4 18442 B11R0.3 C#CCCCCCOCCC=C 34a_100011205117_100012094781 [0,2,0,0,0,0|0,0,2]=4 18443 B11R0.3 C#CCCCCCOCCC=C 7a_100000766912_100000754431 [0,2,0,0,0,0|0,0,2]=4 18444 B11R0.3 C#CCCCCCOCCCBr 34a_100011217188_100012094781 [0,2,0,0,0,0|1,0,0]=3 18445 B11R0.3 C#CCCCCCOCCCC 34a_100000210227_100012094781 [0,2,0,0,0,0|0,0,0]=2 18446 B11R0.3 C#CCCCCCOCCCC 34a_100000766912_100000210210 [0,2,0,0,0,0|0,0,0]=2 18447 B11R0.3 C#CCCCCCOCCCC 7a_100000210227_100012094781 [0,2,0,0,0,0|0,0,0]=2 18448 B11R0.3 C#CCCCCCOCCCC 7a_100000766912_100000210211 [0,2,0,0,0,0|0,0,0]=2 18449 B11R0.3 C#CCCCCCOCCCCl 34a_100000230001_100012094781 [0,2,0,0,0,0|1,0,0]=3 18450 B11R0.3 C#CCCCCCOCCCF 34a_100000759539_100012094781 [0,2,0,0,0,0|1,0,0]=3 18451 B11R0.3 C#CCCCCCOCCCF 34a_100000766912_100011934791 [0,2,0,0,0,0|1,0,0]=3 18452 B11R0.3 C#CCCCCCOCCCF 7a_100000766912_100011934791 [0,2,0,0,0,0|1,0,0]=3 18453 B11R0.3 C#CCCCCCOCCCN 34a_100000182051_100012094781 [0,2,0,0,0,0|1,0,0]=3 18454 B11R0.3 C#CCCCCCOCCCO 34a_100000766912_100000230001 [0,2,0,0,0,0|1,0,0]=3 18455 B11R0.3 C#CCCCCCOCCCO 7a_100000766912_100011215043 [0,2,0,0,0,0|1,0,0]=3 18456 B11R0.3 C#CCCCCCOCCOC 34a_100000210237_100012094781 [0,2,0,0,0,0|1,0,0]=3 18457 B11R0.3 C#CCCCCCOCCOC 34a_100000766912_100011201679 [0,2,0,0,0,0|1,0,0]=3 18458 B11R0.3 C#CCCCCCOCCOC 7a_100000766912_100000233755 [0,2,0,0,0,0|1,0,0]=3 18459 B11R0.3 C#CCCCCCOCCON 34a_100000700252_100012094781 [0,2,0,0,0,0|2,0,0]=4 18460 B11R0.3 C#CCCCCCOCCSC 34a_100000230434_100012094781 [0,2,0,0,0,0|1,0,0]=3 18461 B11R0.3 C#CCCCCCOCCSC 34a_100000766912_100000212216 [0,2,0,0,0,0|1,0,0]=3 18462 B11R0.3 C#CCCCCCOCCSC 7a_100000230434_100012094781 [0,2,0,0,0,0|1,0,0]=3 18463 B11R0.3 C#CCCCCCOCCSC 7a_100000766912_100000212216 [0,2,0,0,0,0|1,0,0]=3 18464 B11R0.3 C#CCCCCCSCCCC 62a_100000210211_100012094781 [0,2,0,0,0,0|0,1,0]=3 18465 B11R0.3 C#CCCCCCSCCCC 62a_100012094781_100000210210 [0,2,0,0,0,0|0,1,0]=3 18466 B11R0.3 C#CCCCCCSCCCF 62a_100011934791_100012094781 [0,2,0,0,0,0|1,1,0]=4 18467 B11R0.3 C#CCCCCCSCCCF 62a_100012094781_100011934791 [0,2,0,0,0,0|1,1,0]=4 18468 B11R0.3 C#CCCCCCSCCCO 62a_100011215043_100012094781 [0,2,0,0,0,0|1,1,0]=4 18469 B11R0.3 C#CCCCCCSCCCO 62a_100012094781_100011215043 [0,2,0,0,0,0|1,1,0]=4 18470 B11R0.3 C#CCCCCCSCCOC 62a_100000233755_100012094781 [0,2,0,0,0,0|1,1,0]=4 18471 B11R0.3 C#CCCCCCSCCOC 62a_100012094781_100000233755 [0,2,0,0,0,0|1,1,0]=4 18472 B11R0.3 C#CCCCCCSCCSC 62a_100000212216_100012094781 [0,2,0,0,0,0|1,1,0]=4 18473 B11R0.3 C#CCCCCCSCCSC 62a_100012094781_100000751147 [0,2,0,0,0,0|1,1,0]=4 18474 B11R0.3 C#CCCCCCSCOCC 62a_100000739092_100012094781 [0,2,0,0,0,0|1,1,0]=4 18475 B11R0.3 C#CCCCCCSCOCC 62a_100012094781_100000739092 [0,2,0,0,0,0|1,1,0]=4 18476 B11R0.3 C#CCCCCNCCCCC 2230a_100000209983_100010269958 [0,2,0,0,0,0|1,0,0]=3 18477 B11R0.3 C#CCCCCNCCCCC 2230a_100000706060_100000210326 [0,2,0,0,0,0|1,0,0]=3 18478 B11R0.3 C#CCCCCNCCCCC 34a_100000706060_100000718602 [0,2,0,0,0,0|1,0,0]=3 18479 B11R0.3 C#CCCCCNCCCCF 2230a_100000706060_100000729493 [0,2,0,0,0,0|1,0,1]=4 18480 B11R0.3 C#CCCCCNCCCCF 34a_100000706060_100000729493 [0,2,0,0,0,0|1,0,1]=4 18481 B11R0.3 C#CCCCCNCCCCO 2230a_100000706060_100000210776 [0,2,0,0,0,0|1,0,1]=4 18482 B11R0.3 C#CCCCCNCCCCO 2230a_100000750430_100010269958 [0,2,0,0,0,0|1,0,1]=4 18483 B11R0.3 C#CCCCCNCCCCO 34a_100000706060_100011216708 [0,2,0,0,0,0|1,0,1]=4 18484 B11R0.3 C#CCCCCNCCCCO 34a_100000750430_100010269958 [0,2,0,0,0,0|1,0,1]=4 18485 B11R0.3 C#CCCCCNCCCOC 2230a_100000706060_100000740836 [0,2,0,0,0,0|1,0,1]=4 18486 B11R0.3 C#CCCCCNCCCOC 34a_100000706060_100000740836 [0,2,0,0,0,0|1,0,1]=4 18487 B11R0.3 C#CCCCCNCCCOC 34a_100150723488_100010269958 [0,2,0,0,0,0|1,0,1]=4 18488 B11R0.3 C#CCCCCNCCCSC 2230a_100000749238_100010269958 [0,2,0,0,0,0|1,0,1]=4 18489 B11R0.3 C#CCCCCNCCOCC 2230a_100000706060_100011215890 [0,2,0,0,0,0|1,0,1]=4 18490 B11R0.3 C#CCCCCNCCOCC 2230a_102516460346_100010269958 [0,2,0,0,0,0|1,0,1]=4 18491 B11R0.3 C#CCCCCNCCOCC 34a_100000706060_100000210147 [0,2,0,0,0,0|1,0,1]=4 18492 B11R0.3 C#CCCCCNCCOCC 34a_102516460346_100010269958 [0,2,0,0,0,0|1,0,1]=4 18493 B11R0.3 C#CCCCCNCCSCC 2230a_100000106463_100010269958 [0,2,0,0,0,0|1,0,1]=4 18494 B11R0.3 C#CCCCCNCCSCC 2230a_100000706060_100000757381 [0,2,0,0,0,0|1,0,1]=4 18495 B11R0.3 C#CCCCCNCCSCC 34a_100000706060_100000757381 [0,2,0,0,0,0|1,0,1]=4 18496 B11R0.3 C#CCCCCOC/C=C\CC 34a_100000766709_100103147603 [0,2,0,0,0,0|0,0,2]=4 18497 B11R0.3 C#CCCCCOC/C=C\CC 34a_100016268518_100010269958 [0,2,0,0,0,0|0,0,2]=4 18498 B11R0.3 C#CCCCCOC/C=C\CC 7a_100000766709_100103147603 [0,2,0,0,0,0|0,0,2]=4 18499 B11R0.3 C#CCCCCOCC#CCC 34a_100000032950_100010269958 [0,2,0,0,0,0|0,0,2]=4 18500 B11R0.3 C#CCCCCOCC#CCC 34a_100000766709_100009813939 [0,2,0,0,0,0|0,0,2]=4 18501 B11R0.3 C#CCCCCOCC#CCC 7a_100000766709_100009813939 [0,2,0,0,0,0|0,0,2]=4 18502 B11R0.3 C#CCCCCOCC/C=C/C 34a_100016278192_100010269958 [0,2,0,0,0,0|0,0,2]=4 18503 B11R0.3 C#CCCCCOCCC#CC 34a_100000750427_100010269958 [0,2,0,0,0,0|0,0,2]=4 18504 B11R0.3 C#CCCCCOCCCC#C 34a_100000215630_100010269958 [0,2,0,0,0,0|0,0,2]=4 18505 B11R0.3 C#CCCCCOCCCC#C 34a_100000766709_100000695029 [0,2,0,0,0,0|0,0,2]=4 18506 B11R0.3 C#CCCCCOCCCC#C 7a_100000215630_100010269958 [0,2,0,0,0,0|0,0,2]=4 18507 B11R0.3 C#CCCCCOCCCC#C 7a_100000766709_100011215417 [0,2,0,0,0,0|0,0,2]=4 18508 B11R0.3 C#CCCCCOCCCC#N 7a_100000766709_100000687738 [0,2,0,0,0,0|0,0,2]=4 18509 B11R0.3 C#CCCCCOCCCC=C 34a_100000758997_100010269958 [0,2,0,0,0,0|0,0,2]=4 18510 B11R0.3 C#CCCCCOCCCC=C 34a_100000766709_100000757094 [0,2,0,0,0,0|0,0,2]=4 18511 B11R0.3 C#CCCCCOCCCC=C 7a_100000758997_100010269958 [0,2,0,0,0,0|0,0,2]=4 18512 B11R0.3 C#CCCCCOCCCC=C 7a_100000766709_100000757094 [0,2,0,0,0,0|0,0,2]=4 18513 B11R0.3 C#CCCCCOCCCC=O 7a_100000766709_200011292268 [0,2,0,0,0,0|0,0,2]=4 18514 B11R0.3 C#CCCCCOCCCCBr 34a_100011216708_100010269958 [0,2,0,0,0,0|0,0,1]=3 18515 B11R0.3 C#CCCCCOCCCCC 34a_100000210253_100010269958 [0,2,0,0,0,0|0,0,0]=2 18516 B11R0.3 C#CCCCCOCCCCC 34a_100000766709_100000718602 [0,2,0,0,0,0|0,0,0]=2 18517 B11R0.3 C#CCCCCOCCCCC 7a_100000210253_100010269958 [0,2,0,0,0,0|0,0,0]=2 18518 B11R0.3 C#CCCCCOCCCCC 7a_100000766709_100000210326 [0,2,0,0,0,0|0,0,0]=2 18519 B11R0.3 C#CCCCCOCCCCCl 34a_100000210776_100010269958 [0,2,0,0,0,0|0,0,1]=3 18520 B11R0.3 C#CCCCCOCCCCCl 7a_100000210776_100010269958 [0,2,0,0,0,0|0,0,1]=3 18521 B11R0.3 C#CCCCCOCCCCF 34a_100000766709_100000729493 [0,2,0,0,0,0|0,0,1]=3 18522 B11R0.3 C#CCCCCOCCCCF 34a_100011995726_100010269958 [0,2,0,0,0,0|0,0,1]=3 18523 B11R0.3 C#CCCCCOCCCCF 7a_100000766709_100000729493 [0,2,0,0,0,0|0,0,1]=3 18524 B11R0.3 C#CCCCCOCCCCF 7a_100011995726_100010269958 [0,2,0,0,0,0|0,0,1]=3 18525 B11R0.3 C#CCCCCOCCCCI 34a_200012148704_100010269958 [0,2,0,0,0,0|0,0,1]=3 18526 B11R0.3 C#CCCCCOCCCCN 34a_100000750430_100010269958 [0,2,0,0,0,0|0,0,1]=3 18527 B11R0.3 C#CCCCCOCCCCO 34a_100000766709_100011216708 [0,2,0,0,0,0|0,0,1]=3 18528 B11R0.3 C#CCCCCOCCCCO 7a_100000766709_100000210776 [0,2,0,0,0,0|0,0,1]=3 18529 B11R0.3 C#CCCCCOCCCNC 34a_100000213112_100010269958 [0,2,0,0,0,0|0,0,1]=3 18530 B11R0.3 C#CCCCCOCCCOC 34a_100000740835_100010269958 [0,2,0,0,0,0|0,0,1]=3 18531 B11R0.3 C#CCCCCOCCCOC 34a_100000766709_100000740836 [0,2,0,0,0,0|0,0,1]=3 18532 B11R0.3 C#CCCCCOCCCOC 7a_100000766709_100000740836 [0,2,0,0,0,0|0,0,1]=3 18533 B11R0.3 C#CCCCCOCCCSC 34a_100000690336_100010269958 [0,2,0,0,0,0|0,0,1]=3 18534 B11R0.3 C#CCCCCOCCCSC 7a_100000690336_100010269958 [0,2,0,0,0,0|0,0,1]=3 18535 B11R0.3 C#CCCCCOCCOCC 34a_100000210136_100010269958 [0,2,0,0,0,0|0,0,1]=3 18536 B11R0.3 C#CCCCCOCCOCC 34a_100000766709_100000210147 [0,2,0,0,0,0|0,0,1]=3 18537 B11R0.3 C#CCCCCOCCOCC 7a_100000210136_100010269958 [0,2,0,0,0,0|0,0,1]=3 18538 B11R0.3 C#CCCCCOCCOCC 7a_100000766709_100011215890 [0,2,0,0,0,0|0,0,1]=3 18539 B11R0.3 C#CCCCCOCCSCC 34a_100000212035_100010269958 [0,2,0,0,0,0|0,0,1]=3 18540 B11R0.3 C#CCCCCOCCSCC 34a_100000766709_100000757381 [0,2,0,0,0,0|0,0,1]=3 18541 B11R0.3 C#CCCCCOCCSCC 7a_100000212035_100010269958 [0,2,0,0,0,0|0,0,1]=3 18542 B11R0.3 C#CCCCCOCCSCC 7a_100000766709_100000757381 [0,2,0,0,0,0|0,0,1]=3 18543 B11R0.3 C#CCCCCSCCCCC 62a_100000210326_100010269958 [0,2,0,0,0,0|0,1,0]=3 18544 B11R0.3 C#CCCCCSCCCCC 62a_100010269958_100000210326 [0,2,0,0,0,0|0,1,0]=3 18545 B11R0.3 C#CCCCCSCCCCF 62a_100000729493_100010269958 [0,2,0,0,0,0|0,1,1]=4 18546 B11R0.3 C#CCCCCSCCCCF 62a_100010269958_100000729493 [0,2,0,0,0,0|0,1,1]=4 18547 B11R0.3 C#CCCCCSCCCCO 62a_100000210776_100010269958 [0,2,0,0,0,0|0,1,1]=4 18548 B11R0.3 C#CCCCCSCCCCO 62a_100010269958_100000210776 [0,2,0,0,0,0|0,1,1]=4 18549 B11R0.3 C#CCCCCSCCCOC 62a_100000709357_100010269958 [0,2,0,0,0,0|0,1,1]=4 18550 B11R0.3 C#CCCCCSCCCOC 62a_100010269958_100000709357 [0,2,0,0,0,0|0,1,1]=4 18551 B11R0.3 C#CCCCCSCCOCC 62a_100000210147_100010269958 [0,2,0,0,0,0|0,1,1]=4 18552 B11R0.3 C#CCCCCSCCOCC 62a_100010269958_100011215890 [0,2,0,0,0,0|0,1,1]=4 18553 B11R0.3 C#CCCCCSCCSCC 62a_100000757381_100010269958 [0,2,0,0,0,0|0,1,1]=4 18554 B11R0.3 C#CCCCCSCCSCC 62a_100010269958_100000757381 [0,2,0,0,0,0|0,1,1]=4 18555 B11R0.3 C#CCCCNCCCCCC 2230a_100000210581_100000731252 [0,2,0,0,0,0|1,0,1]=4 18556 B11R0.3 C#CCCCNCCCCCC 34a_100000718082_100000210314 [0,2,0,0,0,0|1,0,1]=4 18557 B11R0.3 C#CCCCNCCCCCF 34a_100000718082_100000729378 [0,2,0,0,0,0|1,0,1]=4 18558 B11R0.3 C#CCCCNCCCCCO 2230a_100000762737_100000731252 [0,2,0,0,0,0|1,0,1]=4 18559 B11R0.3 C#CCCCNCCCCCO 34a_100000718082_100000746330 [0,2,0,0,0,0|1,0,1]=4 18560 B11R0.3 C#CCCCNCCCCCO 34a_100000762737_100000695029 [0,2,0,0,0,0|1,0,1]=4 18561 B11R0.3 C#CCCCNCCCCOC 34a_100000718082_100000755781 [0,2,0,0,0,0|1,0,1]=4 18562 B11R0.3 C#CCCCNCCCOCC 2230a_100000210961_100000731252 [0,2,0,0,0,0|1,0,1]=4 18563 B11R0.3 C#CCCCNCCCOCC 34a_100000210961_100000695029 [0,2,0,0,0,0|1,0,1]=4 18564 B11R0.3 C#CCCCNCCCOCC 34a_100000718082_100012232248 [0,2,0,0,0,0|1,0,1]=4 18565 B11R0.3 C#CCCCNCCOCCC 2230a_100161115042_100000731252 [0,2,0,0,0,0|1,0,1]=4 18566 B11R0.3 C#CCCCNCCOCCC 34a_100000718082_100011215938 [0,2,0,0,0,0|1,0,1]=4 18567 B11R0.3 C#CCCCNCCOCCC 34a_100161115042_100000695029 [0,2,0,0,0,0|1,0,1]=4 18568 B11R0.3 C#CCCCNCCSCCC 2230a_100020603323_100000731252 [0,2,0,0,0,0|1,0,1]=4 18569 B11R0.3 C#CCCCNCOCCCC 34a_100000718082_100011995733 [0,2,0,0,0,0|0,0,1]=3 18570 B11R0.3 C#CCCCOC/C=C/CCC 34a_100016278788_100000695029 [0,2,0,0,0,0|0,0,2]=4 18571 B11R0.3 C#CCCCOC/C=C/CCC 7a_100016278788_100011215417 [0,2,0,0,0,0|0,0,2]=4 18572 B11R0.3 C#CCCCOCC#CCCC 34a_100000034806_100000695029 [0,2,0,0,0,0|0,0,2]=4 18573 B11R0.3 C#CCCCOCC#CCCC 7a_100000034806_100011215417 [0,2,0,0,0,0|0,0,2]=4 18574 B11R0.3 C#CCCCOCC/C=C\CC 34a_100000215630_100015370543 [0,2,0,0,0,0|0,0,2]=4 18575 B11R0.3 C#CCCCOCC/C=C\CC 34a_100016288707_100000695029 [0,2,0,0,0,0|0,0,2]=4 18576 B11R0.3 C#CCCCOCC/C=C\CC 7a_100000215630_100015370543 [0,2,0,0,0,0|0,0,2]=4 18577 B11R0.3 C#CCCCOCC/C=C\CC 7a_100016288707_100011215417 [0,2,0,0,0,0|0,0,2]=4 18578 B11R0.3 C#CCCCOCCC#CCC 34a_100000036655_100000695029 [0,2,0,0,0,0|0,0,2]=4 18579 B11R0.3 C#CCCCOCCC#CCC 7a_100000036655_100011215417 [0,2,0,0,0,0|0,0,2]=4 18580 B11R0.3 C#CCCCOCCCC=CC 34a_100020645299_100000695029 [0,2,0,0,0,0|0,0,2]=4 18581 B11R0.3 C#CCCCOCCCCC#N 7a_100000215630_100000211819 [0,2,0,0,0,0|0,0,2]=4 18582 B11R0.3 C#CCCCOCCCCC=C 34a_100000215630_100011215482 [0,2,0,0,0,0|0,0,2]=4 18583 B11R0.3 C#CCCCOCCCCC=C 34a_100000766645_100000695029 [0,2,0,0,0,0|0,0,2]=4 18584 B11R0.3 C#CCCCOCCCCC=C 7a_100000215630_100011215482 [0,2,0,0,0,0|0,0,2]=4 18585 B11R0.3 C#CCCCOCCCCC=C 7a_100000766645_100011215417 [0,2,0,0,0,0|0,0,2]=4 18586 B11R0.3 C#CCCCOCCCCC=O 7a_100000215630_100000139335 [0,2,0,0,0,0|0,0,2]=4 18587 B11R0.3 C#CCCCOCCCCCBr 34a_100000746331_100000695029 [0,2,0,0,0,0|0,0,1]=3 18588 B11R0.3 C#CCCCOCCCCCBr 7a_100000746331_100011215417 [0,2,0,0,0,0|0,0,1]=3 18589 B11R0.3 C#CCCCOCCCCCC 34a_100000210259_100000695029 [0,2,0,0,0,0|0,0,1]=3 18590 B11R0.3 C#CCCCOCCCCCC 34a_100000215630_100000210314 [0,2,0,0,0,0|0,0,1]=3 18591 B11R0.3 C#CCCCOCCCCCC 7a_100000210259_100011215417 [0,2,0,0,0,0|0,0,1]=3 18592 B11R0.3 C#CCCCOCCCCCC 7a_100000215630_100000210314 [0,2,0,0,0,0|0,0,1]=3 18593 B11R0.3 C#CCCCOCCCCCCl 34a_100000746330_100000695029 [0,2,0,0,0,0|0,0,1]=3 18594 B11R0.3 C#CCCCOCCCCCCl 7a_100000746330_100011215417 [0,2,0,0,0,0|0,0,1]=3 18595 B11R0.3 C#CCCCOCCCCCF 34a_100000215630_100000729378 [0,2,0,0,0,0|0,0,1]=3 18596 B11R0.3 C#CCCCOCCCCCF 7a_100000215630_100000729378 [0,2,0,0,0,0|0,0,1]=3 18597 B11R0.3 C#CCCCOCCCCCI 34a_200012148887_100000695029 [0,2,0,0,0,0|0,0,1]=3 18598 B11R0.3 C#CCCCOCCCCCI 7a_200012148887_100011215417 [0,2,0,0,0,0|0,0,1]=3 18599 B11R0.3 C#CCCCOCCCCCN 34a_100000762737_100000695029 [0,2,0,0,0,0|0,0,1]=3 18600 B11R0.3 C#CCCCOCCCCCO 34a_100000215630_100000746330 [0,2,0,0,0,0|0,0,1]=3 18601 B11R0.3 C#CCCCOCCCCCO 7a_100000215630_100000746330 [0,2,0,0,0,0|0,0,1]=3 18602 B11R0.3 C#CCCCOCCCCOC 34a_100000215630_100000755781 [0,2,0,0,0,0|0,0,1]=3 18603 B11R0.3 C#CCCCOCCCCOC 34a_100000740925_100000695029 [0,2,0,0,0,0|0,0,1]=3 18604 B11R0.3 C#CCCCOCCCCOC 7a_100000215630_100000730899 [0,2,0,0,0,0|0,0,1]=3 18605 B11R0.3 C#CCCCOCCCCSC 34a_100011217163_100000695029 [0,2,0,0,0,0|0,0,1]=3 18606 B11R0.3 C#CCCCOCCCCSC 7a_100011217163_100011215417 [0,2,0,0,0,0|0,0,1]=3 18607 B11R0.3 C#CCCCOCCCOCC 34a_100000215630_100012232248 [0,2,0,0,0,0|0,0,1]=3 18608 B11R0.3 C#CCCCOCCCOCC 34a_100000757476_100000695029 [0,2,0,0,0,0|0,0,1]=3 18609 B11R0.3 C#CCCCOCCCOCC 7a_100000215630_100012232248 [0,2,0,0,0,0|0,0,1]=3 18610 B11R0.3 C#CCCCOCCCOCC 7a_100000757476_100011215417 [0,2,0,0,0,0|0,0,1]=3 18611 B11R0.3 C#CCCCOCCCSCC 34a_100011216438_100000695029 [0,2,0,0,0,0|0,0,1]=3 18612 B11R0.3 C#CCCCOCCCSCC 7a_100011216438_100011215417 [0,2,0,0,0,0|0,0,1]=3 18613 B11R0.3 C#CCCCOCCOCCBr 34a_100000692535_100000695029 [0,2,0,0,0,0|0,0,2]=4 18614 B11R0.3 C#CCCCOCCOCCBr 7a_100000692535_100011215417 [0,2,0,0,0,0|0,0,2]=4 18615 B11R0.3 C#CCCCOCCOCCC 34a_100000215630_100011215938 [0,2,0,0,0,0|0,0,1]=3 18616 B11R0.3 C#CCCCOCCOCCC 34a_100000752267_100000695029 [0,2,0,0,0,0|0,0,1]=3 18617 B11R0.3 C#CCCCOCCOCCC 7a_100000215630_100011215938 [0,2,0,0,0,0|0,0,1]=3 18618 B11R0.3 C#CCCCOCCOCCC 7a_100000752267_100011215417 [0,2,0,0,0,0|0,0,1]=3 18619 B11R0.3 C#CCCCOCCOCCCl 34a_100011215305_100000695029 [0,2,0,0,0,0|0,0,2]=4 18620 B11R0.3 C#CCCCOCCOCCCl 7a_100011215305_100011215417 [0,2,0,0,0,0|0,0,2]=4 18621 B11R0.3 C#CCCCOCCOCCF 34a_200015357709_100000695029 [0,2,0,0,0,0|0,0,2]=4 18622 B11R0.3 C#CCCCOCCOCCF 7a_200015357709_100011215417 [0,2,0,0,0,0|0,0,2]=4 18623 B11R0.3 C#CCCCOCCOCCI 34a_100012149058_100000695029 [0,2,0,0,0,0|0,0,2]=4 18624 B11R0.3 C#CCCCOCCOCCI 7a_100012149058_100011215417 [0,2,0,0,0,0|0,0,2]=4 18625 B11R0.3 C#CCCCOCCOCCN 34a_100000211614_100000695029 [0,2,0,0,0,0|0,0,2]=4 18626 B11R0.3 C#CCCCOCCOCCO 34a_100000215630_100000692535 [0,2,0,0,0,0|0,0,2]=4 18627 B11R0.3 C#CCCCOCCOCCO 7a_100000215630_100011215305 [0,2,0,0,0,0|0,0,2]=4 18628 B11R0.3 C#CCCCOCCSCCC 34a_200000230433_100000695029 [0,2,0,0,0,0|0,0,1]=3 18629 B11R0.3 C#CCCCOCCSCCC 7a_200000230433_100011215417 [0,2,0,0,0,0|0,0,1]=3 18630 B11R0.3 C#CCCCOCOCCCC 34a_100000215630_100011995733 [0,2,0,0,0,0|0,0,1]=3 18631 B11R0.3 C#CCCCSCCCCCC 62a_100000210314_100011215417 [0,2,0,0,0,0|0,1,1]=4 18632 B11R0.3 C#CCCCSCCCCCC 62a_100011215417_100000210757 [0,2,0,0,0,0|0,1,1]=4 18633 B11R0.3 C#CCCCSCCCCCF 62a_100000729378_100011215417 [0,2,0,0,0,0|0,1,1]=4 18634 B11R0.3 C#CCCCSCCCCCF 62a_100011215417_100000729378 [0,2,0,0,0,0|0,1,1]=4 18635 B11R0.3 C#CCCCSCCCCCO 62a_100000746330_100011215417 [0,2,0,0,0,0|0,1,1]=4 18636 B11R0.3 C#CCCCSCCCCCO 62a_100011215417_100000746330 [0,2,0,0,0,0|0,1,1]=4 18637 B11R0.3 C#CCCCSCCCCOC 62a_100000730899_100011215417 [0,2,0,0,0,0|0,1,1]=4 18638 B11R0.3 C#CCCCSCCCCOC 62a_100011215417_100000730899 [0,2,0,0,0,0|0,1,1]=4 18639 B11R0.3 C#CCCCSCCCOCC 62a_100011215417_100012232248 [0,2,0,0,0,0|0,1,1]=4 18640 B11R0.3 C#CCCCSCCCOCC 62a_100012232248_100011215417 [0,2,0,0,0,0|0,1,1]=4 18641 B11R0.3 C#CCCCSCCOCCC 62a_100011215417_100011215938 [0,2,0,0,0,0|0,1,1]=4 18642 B11R0.3 C#CCCCSCCOCCC 62a_100011215938_100011215417 [0,2,0,0,0,0|0,1,1]=4 18643 B11R0.3 C#CCCCSCOCCCC 62a_100011215417_100011995733 [0,2,0,0,0,0|0,0,1]=3 18644 B11R0.3 C#CCCCSCOCCCC 62a_100011995733_100011215417 [0,2,0,0,0,0|0,0,1]=3 18645 B11R0.3 C#CCCCSCOCCOC 62a_100000231047_100011215417 [0,2,0,0,0,0|1,0,1]=4 18646 B11R0.3 C#CCCCSCOCCOC 62a_100011215417_100000231047 [0,2,0,0,0,0|1,0,1]=4 18647 B11R0.3 C#CCCNCCCCCCC 2230a_100000229938_100000688953 [0,2,0,0,0,0|1,0,1]=4 18648 B11R0.3 C#CCCNCCCCCCC 34a_100000755551_100000210614 [0,2,0,0,0,0|1,0,1]=4 18649 B11R0.3 C#CCCNCCOCCCC 34a_100000755551_100000743108 [0,2,0,0,0,0|0,0,1]=3 18650 B11R0.3 C#CCCNCCOCCOC 2230a_100000745349_100000688953 [0,2,0,0,0,0|1,0,1]=4 18651 B11R0.3 C#CCCNCCOCCOC 34a_100000745349_100000688953 [0,2,0,0,0,0|1,0,1]=4 18652 B11R0.3 C#CCCNCCOCCOC 34a_100000755551_100000695917 [0,2,0,0,0,0|1,0,1]=4 18653 B11R0.3 C#CCCNCCSCCCC 2230a_100025743550_100000688953 [0,2,0,0,0,0|0,1,1]=4 18654 B11R0.3 C#CCCOC/C=C/CCCC 34a_200016272032_100000688953 [0,2,0,0,0,0|0,0,2]=4 18655 B11R0.3 C#CCCOC/C=C/CCCC 7a_200016272032_100000688953 [0,2,0,0,0,0|0,0,2]=4 18656 B11R0.3 C#CCCOCC#CCCCC 34a_200000034558_100000688953 [0,2,0,0,0,0|0,0,2]=4 18657 B11R0.3 C#CCCOCC#CCCCC 7a_200000034558_100000688953 [0,2,0,0,0,0|0,0,2]=4 18658 B11R0.3 C#CCCOCCC#CCCC 34a_100000042726_100000688953 [0,2,0,0,0,0|0,0,2]=4 18659 B11R0.3 C#CCCOCCC#CCCC 7a_100000042726_100000688953 [0,2,0,0,0,0|0,0,2]=4 18660 B11R0.3 C#CCCOCCC/C=C/CC 34a_100016287902_100000688953 [0,2,0,0,0,0|0,0,2]=4 18661 B11R0.3 C#CCCOCCC/C=C/CC 7a_100016287902_100000688953 [0,2,0,0,0,0|0,0,2]=4 18662 B11R0.3 C#CCCOCCCCCC=C 34a_100011215631_100000700193 [0,2,0,0,0,0|0,0,2]=4 18663 B11R0.3 C#CCCOCCCCCC=C 34a_100011216702_100000688953 [0,2,0,0,0,0|0,0,2]=4 18664 B11R0.3 C#CCCOCCCCCC=C 7a_100011216702_100000688953 [0,2,0,0,0,0|0,0,2]=4 18665 B11R0.3 C#CCCOCCCCCCBr 34a_100011215345_100000688953 [0,2,0,0,0,0|0,0,2]=4 18666 B11R0.3 C#CCCOCCCCCCBr 7a_100011215345_100000688953 [0,2,0,0,0,0|0,0,2]=4 18667 B11R0.3 C#CCCOCCCCCCC 34a_100000210272_100000688953 [0,2,0,0,0,0|0,0,2]=4 18668 B11R0.3 C#CCCOCCCCCCC 34a_100011215631_100000210614 [0,2,0,0,0,0|0,0,2]=4 18669 B11R0.3 C#CCCOCCCCCCC 7a_100000210272_100000688953 [0,2,0,0,0,0|0,0,2]=4 18670 B11R0.3 C#CCCOCCCCCCCl 34a_100000766143_100000688953 [0,2,0,0,0,0|0,0,2]=4 18671 B11R0.3 C#CCCOCCCCCCCl 7a_100000766143_100000688953 [0,2,0,0,0,0|0,0,2]=4 18672 B11R0.3 C#CCCOCCCCCCF 34a_100000732779_100000688953 [0,2,0,0,0,0|0,0,2]=4 18673 B11R0.3 C#CCCOCCCCCCF 34a_100011215631_100015922095 [0,2,0,0,0,0|0,0,2]=4 18674 B11R0.3 C#CCCOCCCCCCF 7a_100000732779_100000688953 [0,2,0,0,0,0|0,0,2]=4 18675 B11R0.3 C#CCCOCCCCCCN 34a_100000686447_100000688953 [0,2,0,0,0,0|0,0,2]=4 18676 B11R0.3 C#CCCOCCCCCCO 34a_100011215631_100000766143 [0,2,0,0,0,0|0,0,2]=4 18677 B11R0.3 C#CCCOCCCCCNC 34a_100000722520_100000688953 [0,2,0,0,0,0|0,0,2]=4 18678 B11R0.3 C#CCCOCCOCCCC 34a_100000210238_100000688953 [0,2,0,0,0,0|0,0,1]=3 18679 B11R0.3 C#CCCOCCOCCCC 34a_100011215631_100000743108 [0,2,0,0,0,0|0,0,1]=3 18680 B11R0.3 C#CCCOCCOCCCC 7a_100000210238_100000688953 [0,2,0,0,0,0|0,0,1]=3 18681 B11R0.3 C#CCCOCCOCCNC 34a_100000228057_100000688953 [0,2,0,0,0,0|0,0,2]=4 18682 B11R0.3 C#CCCOCCOCCOC 34a_100011215163_100000688953 [0,2,0,0,0,0|0,0,2]=4 18683 B11R0.3 C#CCCOCCOCCOC 34a_100011215631_100000695917 [0,2,0,0,0,0|0,0,2]=4 18684 B11R0.3 C#CCCOCCOCCOC 7a_100011215163_100000688953 [0,2,0,0,0,0|0,0,2]=4 18685 B11R0.3 C#CCCOCCSCCCC 34a_200000230436_100000688953 [0,2,0,0,0,0|0,0,2]=4 18686 B11R0.3 C#CCCOCCSCCCC 7a_200000230436_100000688953 [0,2,0,0,0,0|0,0,2]=4 18687 B11R0.3 C#CCCSCCCCCCC 62a_100000210614_100000688953 [0,2,0,0,0,0|1,0,1]=4 18688 B11R0.3 C#CCCSCCCCCCC 62a_100000688953_100000210316 [0,2,0,0,0,0|1,0,1]=4 18689 B11R0.3 C#CCCSCCOCCCC 62a_100000688953_100000743108 [0,2,0,0,0,0|0,0,1]=3 18690 B11R0.3 C#CCCSCCOCCCC 62a_100000743108_100000688953 [0,2,0,0,0,0|0,0,1]=3 18691 B11R0.3 C#CCCSCCOCCOC 62a_100000688953_100000695917 [0,2,0,0,0,0|1,0,1]=4 18692 B11R0.3 C#CCCSCCOCCOC 62a_100000695917_100000688953 [0,2,0,0,0,0|1,0,1]=4 18693 B11R0.3 C#CCNCCCCCCCC 2230a_100000229939_100000038162 [0,2,0,0,0,0|1,0,1]=4 18694 B11R0.3 C#CCNCCCCCCCC 34a_100000212058_100000210759 [0,2,0,0,0,0|1,0,1]=4 18695 B11R0.3 C#CCNCCCCCCCC 34a_100000229939_100000184674 [0,2,0,0,0,0|1,0,1]=4 18696 B11R0.3 C#CCNCCCOCCCC 2230a_200000211371_100000038162 [0,2,0,0,0,0|0,0,1]=3 18697 B11R0.3 C#CCNCCCOCCCC 34a_200000211371_100000184674 [0,2,0,0,0,0|0,0,1]=3 18698 B11R0.3 C#CCNCCCOCCCO 2230a_100011310245_100000038162 [0,2,0,0,0,0|1,0,1]=4 18699 B11R0.3 C#CCNCCCOCCCO 34a_100011310245_100000184674 [0,2,0,0,0,0|1,0,1]=4 18700 B11R0.3 C#CCNCCCOCCOC 2230a_100000206027_100000038162 [0,2,0,0,0,0|1,0,1]=4 18701 B11R0.3 C#CCNCCCOCCOC 34a_100000206027_100000184674 [0,2,0,0,0,0|1,0,1]=4 18702 B11R0.3 C#CCNCCCOCCOC 34a_100000212058_100011216529 [0,2,0,0,0,0|1,0,1]=4 18703 B11R0.3 C#CCNCCOCCOCC 2230a_100102712874_100000038162 [0,2,0,0,0,0|0,0,2]=4 18704 B11R0.3 C#CCNCCOCCOCC 34a_100000212058_100011211534 [0,2,0,0,0,0|0,0,2]=4 18705 B11R0.3 C#CCNCCOCCOCC 34a_100102712874_100000184674 [0,2,0,0,0,0|0,0,2]=4 18706 B11R0.3 C#CCOCCCCCCCC 34a_100000210232_100000184674 [0,2,0,0,0,0|1,0,1]=4 18707 B11R0.3 C#CCOCCCCCCCC 34a_100000210247_100000210759 [0,2,0,0,0,0|1,0,1]=4 18708 B11R0.3 C#CCOCCCCCCCC 7a_100000210232_100000038162 [0,2,0,0,0,0|1,0,1]=4 18709 B11R0.3 C#CCOCCCOCCCC 34a_200011215613_100000184674 [0,2,0,0,0,0|0,0,1]=3 18710 B11R0.3 C#CCOCCCOCCCC 7a_200011215613_100000038162 [0,2,0,0,0,0|0,0,1]=3 18711 B11R0.3 C#CCOCCCOCCCN 34a_100011310245_100000184674 [0,2,0,0,0,0|1,0,1]=4 18712 B11R0.3 C#CCOCCCOCCOC 34a_100000210247_100011216529 [0,2,0,0,0,0|1,0,1]=4 18713 B11R0.3 C#CCOCCNCCCCC 2230a_100000209983_100010402529 [0,2,0,0,0,0|1,0,1]=4 18714 B11R0.3 C#CCOCCNCCCCC 2230a_100000700922_100000210326 [0,2,0,0,0,0|1,0,1]=4 18715 B11R0.3 C#CCOCCNCCCCC 34a_100000224656_100000184674 [0,2,0,0,0,0|1,0,1]=4 18716 B11R0.3 C#CCOCCNCCCCC 34a_100000700922_100000718602 [0,2,0,0,0,0|1,0,1]=4 18717 B11R0.3 C#CCOCCOCCCCBr 34a_100011216708_100010402529 [0,2,0,0,0,0|0,0,2]=4 18718 B11R0.3 C#CCOCCOCCCCC 34a_100000054580_100000718602 [0,2,0,0,0,0|0,0,1]=3 18719 B11R0.3 C#CCOCCOCCCCC 34a_100000210253_100010402529 [0,2,0,0,0,0|0,0,1]=3 18720 B11R0.3 C#CCOCCOCCCCC 34a_100011215259_100000184674 [0,2,0,0,0,0|0,0,1]=3 18721 B11R0.3 C#CCOCCOCCCCC 7a_100000054580_100000210326 [0,2,0,0,0,0|0,0,1]=3 18722 B11R0.3 C#CCOCCOCCCCC 7a_100000210253_100010402529 [0,2,0,0,0,0|0,0,1]=3 18723 B11R0.3 C#CCOCCOCCCCC 7a_100011215259_100000038162 [0,2,0,0,0,0|0,0,1]=3 18724 B11R0.3 C#CCOCCOCCCCCl 34a_100000210776_100010402529 [0,2,0,0,0,0|0,0,2]=4 18725 B11R0.3 C#CCOCCOCCCCCl 7a_100000210776_100010402529 [0,2,0,0,0,0|0,0,2]=4 18726 B11R0.3 C#CCOCCOCCCCF 34a_100000054580_100000729493 [0,2,0,0,0,0|0,0,2]=4 18727 B11R0.3 C#CCOCCOCCCCF 34a_100011995726_100010402529 [0,2,0,0,0,0|0,0,2]=4 18728 B11R0.3 C#CCOCCOCCCCF 7a_100000054580_100000729493 [0,2,0,0,0,0|0,0,2]=4 18729 B11R0.3 C#CCOCCOCCCCF 7a_100011995726_100010402529 [0,2,0,0,0,0|0,0,2]=4 18730 B11R0.3 C#CCOCCOCCCCI 34a_200012148704_100010402529 [0,2,0,0,0,0|0,0,2]=4 18731 B11R0.3 C#CCOCCOCCCCN 34a_100000750430_100010402529 [0,2,0,0,0,0|0,0,2]=4 18732 B11R0.3 C#CCOCCOCCCCO 34a_100000054580_100011216708 [0,2,0,0,0,0|0,0,2]=4 18733 B11R0.3 C#CCOCCOCCCCO 7a_100000054580_100000210776 [0,2,0,0,0,0|0,0,2]=4 18734 B11R0.3 C#CCOCCOCCCNC 34a_100000213112_100010402529 [0,2,0,0,0,0|0,0,2]=4 18735 B11R0.3 C#CCOCCOCCCOC 34a_100000054580_100000740836 [0,2,0,0,0,0|0,0,2]=4 18736 B11R0.3 C#CCOCCOCCCOC 34a_100000740835_100010402529 [0,2,0,0,0,0|0,0,2]=4 18737 B11R0.3 C#CCOCCOCCCOC 7a_100000054580_100000740836 [0,2,0,0,0,0|0,0,2]=4 18738 B11R0.3 C#CCOCCOCCCSC 34a_100000690336_100010402529 [0,2,0,0,0,0|0,0,2]=4 18739 B11R0.3 C#CCOCCOCCCSC 7a_100000690336_100010402529 [0,2,0,0,0,0|0,0,2]=4 18740 B11R0.3 C#CCOCCOCCNCC 2230a_100000056377_100000210202 [0,2,0,0,0,0|0,0,2]=4 18741 B11R0.3 C#CCOCCOCCNCC 2230a_100015525214_100010408581 [0,2,0,0,0,0|0,0,2]=4 18742 B11R0.3 C#CCOCCOCCNCC 34a_100000056377_100000210202 [0,2,0,0,0,0|0,0,2]=4 18743 B11R0.3 C#CCOCCOCCOCC 34a_100000041007_100000210202 [0,2,0,0,0,0|0,0,2]=4 18744 B11R0.3 C#CCOCCOCCOCC 34a_100000054580_100000210147 [0,2,0,0,0,0|0,0,2]=4 18745 B11R0.3 C#CCOCCOCCOCC 34a_100000210136_100010402529 [0,2,0,0,0,0|0,0,2]=4 18746 B11R0.3 C#CCOCCOCCOCC 34a_100000210240_100000184674 [0,2,0,0,0,0|0,0,2]=4 18747 B11R0.3 C#CCOCCOCCOCC 34a_100000210247_100011211534 [0,2,0,0,0,0|0,0,2]=4 18748 B11R0.3 C#CCOCCOCCOCC 34a_100121572206_100010408581 [0,2,0,0,0,0|0,0,2]=4 18749 B11R0.3 C#CCOCCOCCOCC 7a_100000041007_100000210202 [0,2,0,0,0,0|0,0,2]=4 18750 B11R0.3 C#CCOCCOCCOCC 7a_100000054580_100011215890 [0,2,0,0,0,0|0,0,2]=4 18751 B11R0.3 C#CCOCCOCCOCC 7a_100000210136_100010402529 [0,2,0,0,0,0|0,0,2]=4 18752 B11R0.3 C#CCOCCOCCOCC 7a_100000210240_100000038162 [0,2,0,0,0,0|0,0,2]=4 18753 B11R0.3 C#CCOCCOCCSCC 34a_100000054580_100000757381 [0,2,0,0,0,0|0,0,2]=4 18754 B11R0.3 C#CCOCCOCCSCC 34a_100000212035_100010402529 [0,2,0,0,0,0|0,0,2]=4 18755 B11R0.3 C#CCOCCOCCSCC 62a_100000210202_100010408581 [0,2,0,0,0,0|0,0,2]=4 18756 B11R0.3 C#CCOCCOCCSCC 62a_100010408581_100000210202 [0,2,0,0,0,0|0,0,2]=4 18757 B11R0.3 C#CCOCCOCCSCC 7a_100000054580_100000757381 [0,2,0,0,0,0|0,0,2]=4 18758 B11R0.3 C#CCOCCOCCSCC 7a_100000212035_100010402529 [0,2,0,0,0,0|0,0,2]=4 18759 B11R0.3 C#CCOCCSCCCCC 62a_100000210326_100010402529 [0,2,0,0,0,0|0,1,1]=4 18760 B11R0.3 C#CCOCCSCCCCC 62a_100010402529_100000210326 [0,2,0,0,0,0|0,1,1]=4 18761 B11R0.3 C#CCSCCCCCCCC 62a_100000038162_100000210317 [0,2,0,0,0,0|1,0,1]=4 18762 B11R0.3 C#CCSCCCOCCOC 62a_100000038162_100011216529 [0,2,0,0,0,0|1,0,1]=4 18763 B11R0.3 C#CCSCCOCCOCC 62a_100000038162_100011211534 [0,2,0,0,0,0|0,0,2]=4 18764 B11R0.3 C/C=C/C=C/COCCCCC 34a_100016283227_100000718602 [0,2,0,0,0,0|0,0,2]=4 18765 B11R0.3 C/C=C/CCOCC/C=C\CC 34a_100016278192_100015370543 [0,2,0,0,0,0|0,0,2]=4 18766 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [0,2,0,0,0,0|0,0,1]=3 18767 B11R0.3 C/C=C/CCOCCCCCF 34a_100016278192_100000729378 [0,2,0,0,0,0|0,0,1]=3 18768 B11R0.3 C/C=C/CCOCCCCCO 34a_100016278192_100000746330 [0,2,0,0,0,0|0,0,1]=3 18769 B11R0.3 C/C=C/CCOCCCCOC 34a_100016278192_100000755781 [0,2,0,0,0,0|0,0,1]=3 18770 B11R0.3 C/C=C/CCOCCCOCC 34a_100016278192_100012232248 [0,2,0,0,0,0|0,0,1]=3 18771 B11R0.3 C/C=C/CCOCCOCCC 34a_100016278192_100011215938 [0,2,0,0,0,0|0,0,1]=3 18772 B11R0.3 C/C=C/CCOCCOCCO 34a_100016278192_100000692535 [0,2,0,0,0,0|0,0,2]=4 18773 B11R0.3 C/C=C/CCOCOCCCC 34a_100016278192_100011995733 [0,2,0,0,0,0|0,0,1]=3 18774 B11R0.3 C/C=C/CNCCOCCOC 34a_100000745349_100102629194 [0,2,0,0,0,0|1,0,1]=4 18775 B11R0.3 C/C=C/COC/C=C/CCCC 34a_200016272032_100102629194 [0,2,0,0,0,0|0,0,2]=4 18776 B11R0.3 C/C=C/COC/C=C/CCCC 7a_200016272032_100102629194 [0,2,0,0,0,0|0,0,2]=4 18777 B11R0.3 C/C=C/COCC#CCCCC 34a_200000034558_100102629194 [0,2,0,0,0,0|0,0,2]=4 18778 B11R0.3 C/C=C/COCC#CCCCC 7a_200000034558_100102629194 [0,2,0,0,0,0|0,0,2]=4 18779 B11R0.3 C/C=C/COCCC#CCCC 34a_100000042726_100102629194 [0,2,0,0,0,0|0,0,2]=4 18780 B11R0.3 C/C=C/COCCC#CCCC 7a_100000042726_100102629194 [0,2,0,0,0,0|0,0,2]=4 18781 B11R0.3 C/C=C/COCCC/C=C/CC 34a_100016287902_100102629194 [0,2,0,0,0,0|0,0,2]=4 18782 B11R0.3 C/C=C/COCCC/C=C/CC 7a_100016287902_100102629194 [0,2,0,0,0,0|0,0,2]=4 18783 B11R0.3 C/C=C/COCCCCCCBr 34a_100011215345_100102629194 [0,2,0,0,0,0|0,0,2]=4 18784 B11R0.3 C/C=C/COCCCCCCBr 7a_100011215345_100102629194 [0,2,0,0,0,0|0,0,2]=4 18785 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [0,2,0,0,0,0|0,0,2]=4 18786 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [0,2,0,0,0,0|0,0,2]=4 18787 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [0,2,0,0,0,0|0,0,2]=4 18788 B11R0.3 C/C=C/COCCCCCCCl 34a_100000766143_100102629194 [0,2,0,0,0,0|0,0,2]=4 18789 B11R0.3 C/C=C/COCCCCCCCl 7a_100000766143_100102629194 [0,2,0,0,0,0|0,0,2]=4 18790 B11R0.3 C/C=C/COCCCCCCF 34a_100000732779_100102629194 [0,2,0,0,0,0|0,0,2]=4 18791 B11R0.3 C/C=C/COCCCCCCF 34a_100016270725_100015922095 [0,2,0,0,0,0|0,0,2]=4 18792 B11R0.3 C/C=C/COCCCCCCF 7a_100000732779_100102629194 [0,2,0,0,0,0|0,0,2]=4 18793 B11R0.3 C/C=C/COCCCCCCN 34a_100000686447_100102629194 [0,2,0,0,0,0|0,0,2]=4 18794 B11R0.3 C/C=C/COCCCCCCO 34a_100016270725_100000766143 [0,2,0,0,0,0|0,0,2]=4 18795 B11R0.3 C/C=C/COCCCCCNC 34a_100000722520_100102629194 [0,2,0,0,0,0|0,0,2]=4 18796 B11R0.3 C/C=C/COCCOCCCC 34a_100000210238_100102629194 [0,2,0,0,0,0|0,0,1]=3 18797 B11R0.3 C/C=C/COCCOCCCC 34a_100016270725_100000743108 [0,2,0,0,0,0|0,0,1]=3 18798 B11R0.3 C/C=C/COCCOCCCC 7a_100000210238_100102629194 [0,2,0,0,0,0|0,0,1]=3 18799 B11R0.3 C/C=C/COCCOCCNC 34a_100000228057_100102629194 [0,2,0,0,0,0|0,0,2]=4 18800 B11R0.3 C/C=C/COCCOCCOC 34a_100011215163_100102629194 [0,2,0,0,0,0|0,0,2]=4 18801 B11R0.3 C/C=C/COCCOCCOC 34a_100016270725_100000695917 [0,2,0,0,0,0|0,0,2]=4 18802 B11R0.3 C/C=C/COCCOCCOC 7a_100011215163_100102629194 [0,2,0,0,0,0|0,0,2]=4 18803 B11R0.3 C/C=C/COCCSCCCC 34a_200000230436_100102629194 [0,2,0,0,0,0|0,0,2]=4 18804 B11R0.3 C/C=C/COCCSCCCC 7a_200000230436_100102629194 [0,2,0,0,0,0|0,0,2]=4 18805 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [0,2,0,0,0,0|1,0,1]=4 18806 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [0,2,0,0,0,0|1,0,1]=4 18807 B11R0.3 C/C=C/CSCCOCCCC 62a_100000743108_100102629194 [0,2,0,0,0,0|0,0,1]=3 18808 B11R0.3 C/C=C/CSCCOCCCC 62a_100102629194_100000743108 [0,2,0,0,0,0|0,0,1]=3 18809 B11R0.3 C/C=C/CSCCOCCOC 62a_100000695917_100102629194 [0,2,0,0,0,0|1,0,1]=4 18810 B11R0.3 C/C=C/CSCCOCCOC 62a_100102629194_100000695917 [0,2,0,0,0,0|1,0,1]=4 18811 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [0,2,0,0,0,0|1,0,1]=4 18812 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [0,2,0,0,0,0|1,0,1]=4 18813 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [0,2,0,0,0,0|1,0,1]=4 18814 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [0,2,0,0,0,0|1,0,1]=4 18815 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [0,2,0,0,0,0|1,0,1]=4 18816 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [0,2,0,0,0,0|1,0,1]=4 18817 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [0,2,0,0,0,0|1,0,1]=4 18818 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [0,2,0,0,0,0|1,0,1]=4 18819 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [0,2,0,0,0,0|1,0,1]=4 18820 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [0,2,0,0,0,0|1,0,1]=4 18821 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [0,2,0,0,0,0|1,0,1]=4 18822 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [0,2,0,0,0,0|1,0,1]=4 18823 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [0,2,0,0,0,0|1,0,1]=4 18824 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [0,2,0,0,0,0|1,0,1]=4 18825 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [0,2,0,0,0,0|1,0,1]=4 18826 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [0,2,0,0,0,0|1,0,1]=4 18827 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [0,2,0,0,0,0|1,0,1]=4 18828 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [0,2,0,0,0,0|1,0,1]=4 18829 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [0,2,0,0,0,0|1,0,1]=4 18830 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [0,2,0,0,0,0|1,0,1]=4 18831 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [0,2,0,0,0,0|1,0,1]=4 18832 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [0,2,0,0,0,0|1,0,1]=4 18833 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [0,2,0,0,0,0|1,0,1]=4 18834 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [0,2,0,0,0,0|1,0,0]=3 18835 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [0,2,0,0,0,0|1,0,0]=3 18836 B11R0.3 C=CCCCCCNCCCF 2230a_100015189416_100000700193 [0,2,0,0,0,0|2,0,0]=4 18837 B11R0.3 C=CCCCCCNCCCF 34a_100015189416_100000700193 [0,2,0,0,0,0|2,0,0]=4 18838 B11R0.3 C=CCCCCCNCCOC 2230a_100000209980_100000700193 [0,2,0,0,0,0|2,0,0]=4 18839 B11R0.3 C=CCCCCCNCCSC 2230a_100020590264_100000700193 [0,2,0,0,0,0|2,0,0]=4 18840 B11R0.3 C=CCCCCCOC/C=C/C 34a_100011216702_100102629194 [0,2,0,0,0,0|0,0,2]=4 18841 B11R0.3 C=CCCCCCOC/C=C/C 34a_100016270725_100000700193 [0,2,0,0,0,0|0,0,2]=4 18842 B11R0.3 C=CCCCCCOC/C=C/C 7a_100011216702_100102629194 [0,2,0,0,0,0|0,0,2]=4 18843 B11R0.3 C=CCCCCCOCC#CC 34a_100000761923_100000700193 [0,2,0,0,0,0|0,0,2]=4 18844 B11R0.3 C=CCCCCCOCC#CC 34a_100011216702_100000748600 [0,2,0,0,0,0|0,0,2]=4 18845 B11R0.3 C=CCCCCCOCC#CC 7a_100011216702_100000748600 [0,2,0,0,0,0|0,0,2]=4 18846 B11R0.3 C=CCCCCCOCC=CC 34a_100011216702_100000070051 [0,2,0,0,0,0|0,0,2]=4 18847 B11R0.3 C=CCCCCCOCC=CC 7a_100011216702_100000070051 [0,2,0,0,0,0|0,0,2]=4 18848 B11R0.3 C=CCCCCCOCCC#N 7a_100011216702_100000184422 [0,2,0,0,0,0|1,0,1]=4 18849 B11R0.3 C=CCCCCCOCCC=C 34a_100011205117_100000700193 [0,2,0,0,0,0|0,0,2]=4 18850 B11R0.3 C=CCCCCCOCCC=C 34a_100011216702_100000754431 [0,2,0,0,0,0|0,0,2]=4 18851 B11R0.3 C=CCCCCCOCCC=C 7a_100011216702_100000754431 [0,2,0,0,0,0|0,0,2]=4 18852 B11R0.3 C=CCCCCCOCCCBr 34a_100011217188_100000700193 [0,2,0,0,0,0|1,0,0]=3 18853 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [0,2,0,0,0,0|0,0,0]=2 18854 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [0,2,0,0,0,0|0,0,0]=2 18855 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [0,2,0,0,0,0|0,0,0]=2 18856 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [0,2,0,0,0,0|0,0,0]=2 18857 B11R0.3 C=CCCCCCOCCCCl 34a_100000230001_100000700193 [0,2,0,0,0,0|1,0,0]=3 18858 B11R0.3 C=CCCCCCOCCCF 34a_100000759539_100000700193 [0,2,0,0,0,0|1,0,0]=3 18859 B11R0.3 C=CCCCCCOCCCF 34a_100011216702_100011934791 [0,2,0,0,0,0|1,0,0]=3 18860 B11R0.3 C=CCCCCCOCCCF 7a_100011216702_100011934791 [0,2,0,0,0,0|1,0,0]=3 18861 B11R0.3 C=CCCCCCOCCCN 34a_100000182051_100000700193 [0,2,0,0,0,0|1,0,0]=3 18862 B11R0.3 C=CCCCCCOCCCO 34a_100011216702_100000230001 [0,2,0,0,0,0|1,0,0]=3 18863 B11R0.3 C=CCCCCCOCCCO 7a_100011216702_100011215043 [0,2,0,0,0,0|1,0,0]=3 18864 B11R0.3 C=CCCCCCOCCOC 34a_100000210237_100000700193 [0,2,0,0,0,0|1,0,0]=3 18865 B11R0.3 C=CCCCCCOCCOC 34a_100011216702_100011201679 [0,2,0,0,0,0|1,0,0]=3 18866 B11R0.3 C=CCCCCCOCCOC 7a_100011216702_100000233755 [0,2,0,0,0,0|1,0,0]=3 18867 B11R0.3 C=CCCCCCOCCON 34a_100000700252_100000700193 [0,2,0,0,0,0|2,0,0]=4 18868 B11R0.3 C=CCCCCCOCCSC 34a_100000230434_100000700193 [0,2,0,0,0,0|1,0,0]=3 18869 B11R0.3 C=CCCCCCOCCSC 34a_100011216702_100000212216 [0,2,0,0,0,0|1,0,0]=3 18870 B11R0.3 C=CCCCCCOCCSC 7a_100000230434_100000700193 [0,2,0,0,0,0|1,0,0]=3 18871 B11R0.3 C=CCCCCCOCCSC 7a_100011216702_100000212216 [0,2,0,0,0,0|1,0,0]=3 18872 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [0,2,0,0,0,0|0,1,0]=3 18873 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [0,2,0,0,0,0|0,1,0]=3 18874 B11R0.3 C=CCCCCCSCCCF 62a_100000700193_100011934791 [0,2,0,0,0,0|1,1,0]=4 18875 B11R0.3 C=CCCCCCSCCCF 62a_100011934791_100000700193 [0,2,0,0,0,0|1,1,0]=4 18876 B11R0.3 C=CCCCCCSCCCO 62a_100000700193_100011215043 [0,2,0,0,0,0|1,1,0]=4 18877 B11R0.3 C=CCCCCCSCCCO 62a_100011215043_100000700193 [0,2,0,0,0,0|1,1,0]=4 18878 B11R0.3 C=CCCCCCSCCOC 62a_100000233755_100000700193 [0,2,0,0,0,0|1,1,0]=4 18879 B11R0.3 C=CCCCCCSCCOC 62a_100000700193_100000233755 [0,2,0,0,0,0|1,1,0]=4 18880 B11R0.3 C=CCCCCCSCCSC 62a_100000212216_100000700193 [0,2,0,0,0,0|1,1,0]=4 18881 B11R0.3 C=CCCCCCSCCSC 62a_100000700193_100000751147 [0,2,0,0,0,0|1,1,0]=4 18882 B11R0.3 C=CCCCCCSCOCC 62a_100000700193_100000739092 [0,2,0,0,0,0|1,1,0]=4 18883 B11R0.3 C=CCCCCCSCOCC 62a_100000739092_100000700193 [0,2,0,0,0,0|1,1,0]=4 18884 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [0,2,0,0,0,0|1,0,0]=3 18885 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [0,2,0,0,0,0|1,0,0]=3 18886 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [0,2,0,0,0,0|1,0,0]=3 18887 B11R0.3 C=CCCCCNCCCCF 2230a_100000703577_100000729493 [0,2,0,0,0,0|1,0,1]=4 18888 B11R0.3 C=CCCCCNCCCCF 34a_100000703577_100000729493 [0,2,0,0,0,0|1,0,1]=4 18889 B11R0.3 C=CCCCCNCCCCO 2230a_100000703577_100000210776 [0,2,0,0,0,0|1,0,1]=4 18890 B11R0.3 C=CCCCCNCCCCO 2230a_100000750430_100011215482 [0,2,0,0,0,0|1,0,1]=4 18891 B11R0.3 C=CCCCCNCCCCO 34a_100000703577_100011216708 [0,2,0,0,0,0|1,0,1]=4 18892 B11R0.3 C=CCCCCNCCCCO 34a_100000750430_100011215482 [0,2,0,0,0,0|1,0,1]=4 18893 B11R0.3 C=CCCCCNCCCOC 2230a_100000703577_100000740836 [0,2,0,0,0,0|1,0,1]=4 18894 B11R0.3 C=CCCCCNCCCOC 34a_100000703577_100000740836 [0,2,0,0,0,0|1,0,1]=4 18895 B11R0.3 C=CCCCCNCCCOC 34a_100150723488_100011215482 [0,2,0,0,0,0|1,0,1]=4 18896 B11R0.3 C=CCCCCNCCCSC 2230a_100000749238_100011215482 [0,2,0,0,0,0|1,0,1]=4 18897 B11R0.3 C=CCCCCNCCOCC 2230a_100000703577_100011215890 [0,2,0,0,0,0|1,0,1]=4 18898 B11R0.3 C=CCCCCNCCOCC 2230a_102516460346_100011215482 [0,2,0,0,0,0|1,0,1]=4 18899 B11R0.3 C=CCCCCNCCOCC 34a_100000703577_100000210147 [0,2,0,0,0,0|1,0,1]=4 18900 B11R0.3 C=CCCCCNCCOCC 34a_102516460346_100011215482 [0,2,0,0,0,0|1,0,1]=4 18901 B11R0.3 C=CCCCCNCCSCC 2230a_100000106463_100011215482 [0,2,0,0,0,0|1,0,1]=4 18902 B11R0.3 C=CCCCCNCCSCC 2230a_100000703577_100000757381 [0,2,0,0,0,0|1,0,1]=4 18903 B11R0.3 C=CCCCCNCCSCC 34a_100000703577_100000757381 [0,2,0,0,0,0|1,0,1]=4 18904 B11R0.3 C=CCCCCOC/C=C\CC 34a_100000766645_100103147603 [0,2,0,0,0,0|0,0,2]=4 18905 B11R0.3 C=CCCCCOC/C=C\CC 34a_100016268518_100011215482 [0,2,0,0,0,0|0,0,2]=4 18906 B11R0.3 C=CCCCCOC/C=C\CC 7a_100000766645_100103147603 [0,2,0,0,0,0|0,0,2]=4 18907 B11R0.3 C=CCCCCOCC#CCC 34a_100000032950_100011215482 [0,2,0,0,0,0|0,0,2]=4 18908 B11R0.3 C=CCCCCOCC#CCC 34a_100000766645_100009813939 [0,2,0,0,0,0|0,0,2]=4 18909 B11R0.3 C=CCCCCOCC#CCC 7a_100000766645_100009813939 [0,2,0,0,0,0|0,0,2]=4 18910 B11R0.3 C=CCCCCOCC/C=C/C 34a_100016278192_100011215482 [0,2,0,0,0,0|0,0,2]=4 18911 B11R0.3 C=CCCCCOCCC#CC 34a_100000750427_100011215482 [0,2,0,0,0,0|0,0,2]=4 18912 B11R0.3 C=CCCCCOCCCC#N 7a_100000766645_100000687738 [0,2,0,0,0,0|0,0,2]=4 18913 B11R0.3 C=CCCCCOCCCC=C 34a_100000758997_100011215482 [0,2,0,0,0,0|0,0,2]=4 18914 B11R0.3 C=CCCCCOCCCC=C 34a_100000766645_100000757094 [0,2,0,0,0,0|0,0,2]=4 18915 B11R0.3 C=CCCCCOCCCC=C 7a_100000758997_100011215482 [0,2,0,0,0,0|0,0,2]=4 18916 B11R0.3 C=CCCCCOCCCC=C 7a_100000766645_100000757094 [0,2,0,0,0,0|0,0,2]=4 18917 B11R0.3 C=CCCCCOCCCC=O 7a_100000766645_200011292268 [0,2,0,0,0,0|0,0,2]=4 18918 B11R0.3 C=CCCCCOCCCCBr 34a_100011216708_100011215482 [0,2,0,0,0,0|0,0,1]=3 18919 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [0,2,0,0,0,0|0,0,0]=2 18920 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [0,2,0,0,0,0|0,0,0]=2 18921 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [0,2,0,0,0,0|0,0,0]=2 18922 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [0,2,0,0,0,0|0,0,0]=2 18923 B11R0.3 C=CCCCCOCCCCCl 34a_100000210776_100011215482 [0,2,0,0,0,0|0,0,1]=3 18924 B11R0.3 C=CCCCCOCCCCCl 7a_100000210776_100011215482 [0,2,0,0,0,0|0,0,1]=3 18925 B11R0.3 C=CCCCCOCCCCF 34a_100000766645_100000729493 [0,2,0,0,0,0|0,0,1]=3 18926 B11R0.3 C=CCCCCOCCCCF 34a_100011995726_100011215482 [0,2,0,0,0,0|0,0,1]=3 18927 B11R0.3 C=CCCCCOCCCCF 7a_100000766645_100000729493 [0,2,0,0,0,0|0,0,1]=3 18928 B11R0.3 C=CCCCCOCCCCF 7a_100011995726_100011215482 [0,2,0,0,0,0|0,0,1]=3 18929 B11R0.3 C=CCCCCOCCCCI 34a_200012148704_100011215482 [0,2,0,0,0,0|0,0,1]=3 18930 B11R0.3 C=CCCCCOCCCCN 34a_100000750430_100011215482 [0,2,0,0,0,0|0,0,1]=3 18931 B11R0.3 C=CCCCCOCCCCO 34a_100000766645_100011216708 [0,2,0,0,0,0|0,0,1]=3 18932 B11R0.3 C=CCCCCOCCCCO 7a_100000766645_100000210776 [0,2,0,0,0,0|0,0,1]=3 18933 B11R0.3 C=CCCCCOCCCNC 34a_100000213112_100011215482 [0,2,0,0,0,0|0,0,1]=3 18934 B11R0.3 C=CCCCCOCCCOC 34a_100000740835_100011215482 [0,2,0,0,0,0|0,0,1]=3 18935 B11R0.3 C=CCCCCOCCCOC 34a_100000766645_100000740836 [0,2,0,0,0,0|0,0,1]=3 18936 B11R0.3 C=CCCCCOCCCOC 7a_100000766645_100000740836 [0,2,0,0,0,0|0,0,1]=3 18937 B11R0.3 C=CCCCCOCCCSC 34a_100000690336_100011215482 [0,2,0,0,0,0|0,0,1]=3 18938 B11R0.3 C=CCCCCOCCCSC 7a_100000690336_100011215482 [0,2,0,0,0,0|0,0,1]=3 18939 B11R0.3 C=CCCCCOCCOCC 34a_100000210136_100011215482 [0,2,0,0,0,0|0,0,1]=3 18940 B11R0.3 C=CCCCCOCCOCC 34a_100000766645_100000210147 [0,2,0,0,0,0|0,0,1]=3 18941 B11R0.3 C=CCCCCOCCOCC 7a_100000210136_100011215482 [0,2,0,0,0,0|0,0,1]=3 18942 B11R0.3 C=CCCCCOCCOCC 7a_100000766645_100011215890 [0,2,0,0,0,0|0,0,1]=3 18943 B11R0.3 C=CCCCCOCCSCC 34a_100000212035_100011215482 [0,2,0,0,0,0|0,0,1]=3 18944 B11R0.3 C=CCCCCOCCSCC 34a_100000766645_100000757381 [0,2,0,0,0,0|0,0,1]=3 18945 B11R0.3 C=CCCCCOCCSCC 7a_100000212035_100011215482 [0,2,0,0,0,0|0,0,1]=3 18946 B11R0.3 C=CCCCCOCCSCC 7a_100000766645_100000757381 [0,2,0,0,0,0|0,0,1]=3 18947 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [0,2,0,0,0,0|0,1,0]=3 18948 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [0,2,0,0,0,0|0,1,0]=3 18949 B11R0.3 C=CCCCCSCCCCF 62a_100000729493_100011215482 [0,2,0,0,0,0|0,1,1]=4 18950 B11R0.3 C=CCCCCSCCCCF 62a_100011215482_100000729493 [0,2,0,0,0,0|0,1,1]=4 18951 B11R0.3 C=CCCCCSCCCCO 62a_100000210776_100011215482 [0,2,0,0,0,0|0,1,1]=4 18952 B11R0.3 C=CCCCCSCCCCO 62a_100011215482_100000210776 [0,2,0,0,0,0|0,1,1]=4 18953 B11R0.3 C=CCCCCSCCCOC 62a_100000709357_100011215482 [0,2,0,0,0,0|0,1,1]=4 18954 B11R0.3 C=CCCCCSCCCOC 62a_100011215482_100000709357 [0,2,0,0,0,0|0,1,1]=4 18955 B11R0.3 C=CCCCCSCCOCC 62a_100000210147_100011215482 [0,2,0,0,0,0|0,1,1]=4 18956 B11R0.3 C=CCCCCSCCOCC 62a_100011215482_100011215890 [0,2,0,0,0,0|0,1,1]=4 18957 B11R0.3 C=CCCCCSCCSCC 62a_100000757381_100011215482 [0,2,0,0,0,0|0,1,1]=4 18958 B11R0.3 C=CCCCCSCCSCC 62a_100011215482_100000757381 [0,2,0,0,0,0|0,1,1]=4 18959 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [0,2,0,0,0,0|1,0,1]=4 18960 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [0,2,0,0,0,0|1,0,1]=4 18961 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [0,2,0,0,0,0|1,0,1]=4 18962 B11R0.3 C=CCCCNCCCCCF 2230a_100000700776_100000729378 [0,2,0,0,0,0|1,0,1]=4 18963 B11R0.3 C=CCCCNCCCCCF 34a_100000700776_100000729378 [0,2,0,0,0,0|1,0,1]=4 18964 B11R0.3 C=CCCCNCCCCCO 2230a_100000700776_100000746330 [0,2,0,0,0,0|1,0,1]=4 18965 B11R0.3 C=CCCCNCCCCCO 2230a_100000762737_100011713584 [0,2,0,0,0,0|1,0,1]=4 18966 B11R0.3 C=CCCCNCCCCCO 34a_100000700776_100000746330 [0,2,0,0,0,0|1,0,1]=4 18967 B11R0.3 C=CCCCNCCCCCO 34a_100000762737_100000757094 [0,2,0,0,0,0|1,0,1]=4 18968 B11R0.3 C=CCCCNCCCCOC 2230a_100000700776_100000730899 [0,2,0,0,0,0|1,0,1]=4 18969 B11R0.3 C=CCCCNCCCCOC 34a_100000700776_100000755781 [0,2,0,0,0,0|1,0,1]=4 18970 B11R0.3 C=CCCCNCCCOCC 2230a_100000210961_100011713584 [0,2,0,0,0,0|1,0,1]=4 18971 B11R0.3 C=CCCCNCCCOCC 2230a_100000700776_100012232248 [0,2,0,0,0,0|1,0,1]=4 18972 B11R0.3 C=CCCCNCCCOCC 34a_100000210961_100000757094 [0,2,0,0,0,0|1,0,1]=4 18973 B11R0.3 C=CCCCNCCCOCC 34a_100000700776_100012232248 [0,2,0,0,0,0|1,0,1]=4 18974 B11R0.3 C=CCCCNCCOCCC 2230a_100000700776_100011215938 [0,2,0,0,0,0|1,0,1]=4 18975 B11R0.3 C=CCCCNCCOCCC 2230a_100161115042_100011713584 [0,2,0,0,0,0|1,0,1]=4 18976 B11R0.3 C=CCCCNCCOCCC 34a_100000700776_100011215938 [0,2,0,0,0,0|1,0,1]=4 18977 B11R0.3 C=CCCCNCCOCCC 34a_100161115042_100000757094 [0,2,0,0,0,0|1,0,1]=4 18978 B11R0.3 C=CCCCNCCSCCC 2230a_100020603323_100011713584 [0,2,0,0,0,0|1,0,1]=4 18979 B11R0.3 C=CCCCNCOCCCC 2230a_100000700776_100011995733 [0,2,0,0,0,0|0,0,1]=3 18980 B11R0.3 C=CCCCNCOCCCC 34a_100000700776_100011995733 [0,2,0,0,0,0|0,0,1]=3 18981 B11R0.3 C=CCCCNCOCCOC 2230a_100000700776_100000231047 [0,2,0,0,0,0|1,0,1]=4 18982 B11R0.3 C=CCCCOC/C=C/CCC 34a_100016278788_100000757094 [0,2,0,0,0,0|0,0,2]=4 18983 B11R0.3 C=CCCCOC/C=C/CCC 7a_100016278788_100000757094 [0,2,0,0,0,0|0,0,2]=4 18984 B11R0.3 C=CCCCOCC#CCCC 34a_100000034806_100000757094 [0,2,0,0,0,0|0,0,2]=4 18985 B11R0.3 C=CCCCOCC#CCCC 7a_100000034806_100000757094 [0,2,0,0,0,0|0,0,2]=4 18986 B11R0.3 C=CCCCOCC/C=C\CC 34a_100000758997_100015370543 [0,2,0,0,0,0|0,0,2]=4 18987 B11R0.3 C=CCCCOCC/C=C\CC 34a_100016288707_100000757094 [0,2,0,0,0,0|0,0,2]=4 18988 B11R0.3 C=CCCCOCC/C=C\CC 7a_100000758997_100015370543 [0,2,0,0,0,0|0,0,2]=4 18989 B11R0.3 C=CCCCOCC/C=C\CC 7a_100016288707_100000757094 [0,2,0,0,0,0|0,0,2]=4 18990 B11R0.3 C=CCCCOCCC#CCC 34a_100000036655_100000757094 [0,2,0,0,0,0|0,0,2]=4 18991 B11R0.3 C=CCCCOCCC#CCC 7a_100000036655_100000757094 [0,2,0,0,0,0|0,0,2]=4 18992 B11R0.3 C=CCCCOCCCC=CC 34a_100020645299_100000757094 [0,2,0,0,0,0|0,0,2]=4 18993 B11R0.3 C=CCCCOCCCCC#N 7a_100000758997_100000211819 [0,2,0,0,0,0|0,0,2]=4 18994 B11R0.3 C=CCCCOCCCCC=O 7a_100000758997_100000139335 [0,2,0,0,0,0|0,0,2]=4 18995 B11R0.3 C=CCCCOCCCCCBr 34a_100000746331_100000757094 [0,2,0,0,0,0|0,0,1]=3 18996 B11R0.3 C=CCCCOCCCCCBr 7a_100000746331_100000757094 [0,2,0,0,0,0|0,0,1]=3 18997 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [0,2,0,0,0,0|0,0,1]=3 18998 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [0,2,0,0,0,0|0,0,1]=3 18999 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [0,2,0,0,0,0|0,0,1]=3 19000 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [0,2,0,0,0,0|0,0,1]=3 19001 B11R0.3 C=CCCCOCCCCCCl 34a_100000746330_100000757094 [0,2,0,0,0,0|0,0,1]=3 19002 B11R0.3 C=CCCCOCCCCCCl 7a_100000746330_100000757094 [0,2,0,0,0,0|0,0,1]=3 19003 B11R0.3 C=CCCCOCCCCCF 34a_100000758997_100000729378 [0,2,0,0,0,0|0,0,1]=3 19004 B11R0.3 C=CCCCOCCCCCF 7a_100000758997_100000729378 [0,2,0,0,0,0|0,0,1]=3 19005 B11R0.3 C=CCCCOCCCCCI 34a_200012148887_100000757094 [0,2,0,0,0,0|0,0,1]=3 19006 B11R0.3 C=CCCCOCCCCCI 7a_200012148887_100000757094 [0,2,0,0,0,0|0,0,1]=3 19007 B11R0.3 C=CCCCOCCCCCN 34a_100000762737_100000757094 [0,2,0,0,0,0|0,0,1]=3 19008 B11R0.3 C=CCCCOCCCCCO 34a_100000758997_100000746330 [0,2,0,0,0,0|0,0,1]=3 19009 B11R0.3 C=CCCCOCCCCCO 7a_100000758997_100000746330 [0,2,0,0,0,0|0,0,1]=3 19010 B11R0.3 C=CCCCOCCCCOC 34a_100000740925_100000757094 [0,2,0,0,0,0|0,0,1]=3 19011 B11R0.3 C=CCCCOCCCCOC 34a_100000758997_100000755781 [0,2,0,0,0,0|0,0,1]=3 19012 B11R0.3 C=CCCCOCCCCOC 7a_100000758997_100000730899 [0,2,0,0,0,0|0,0,1]=3 19013 B11R0.3 C=CCCCOCCCCSC 34a_100011217163_100000757094 [0,2,0,0,0,0|0,0,1]=3 19014 B11R0.3 C=CCCCOCCCCSC 7a_100011217163_100000757094 [0,2,0,0,0,0|0,0,1]=3 19015 B11R0.3 C=CCCCOCCCOCC 34a_100000757476_100000757094 [0,2,0,0,0,0|0,0,1]=3 19016 B11R0.3 C=CCCCOCCCOCC 34a_100000758997_100012232248 [0,2,0,0,0,0|0,0,1]=3 19017 B11R0.3 C=CCCCOCCCOCC 7a_100000757476_100000757094 [0,2,0,0,0,0|0,0,1]=3 19018 B11R0.3 C=CCCCOCCCOCC 7a_100000758997_100012232248 [0,2,0,0,0,0|0,0,1]=3 19019 B11R0.3 C=CCCCOCCCSCC 34a_100011216438_100000757094 [0,2,0,0,0,0|0,0,1]=3 19020 B11R0.3 C=CCCCOCCCSCC 7a_100011216438_100000757094 [0,2,0,0,0,0|0,0,1]=3 19021 B11R0.3 C=CCCCOCCOCCBr 34a_100000692535_100000757094 [0,2,0,0,0,0|0,0,2]=4 19022 B11R0.3 C=CCCCOCCOCCBr 7a_100000692535_100000757094 [0,2,0,0,0,0|0,0,2]=4 19023 B11R0.3 C=CCCCOCCOCCC 34a_100000752267_100000757094 [0,2,0,0,0,0|0,0,1]=3 19024 B11R0.3 C=CCCCOCCOCCC 34a_100000758997_100011215938 [0,2,0,0,0,0|0,0,1]=3 19025 B11R0.3 C=CCCCOCCOCCC 7a_100000752267_100000757094 [0,2,0,0,0,0|0,0,1]=3 19026 B11R0.3 C=CCCCOCCOCCC 7a_100000758997_100011215938 [0,2,0,0,0,0|0,0,1]=3 19027 B11R0.3 C=CCCCOCCOCCCl 34a_100011215305_100000757094 [0,2,0,0,0,0|0,0,2]=4 19028 B11R0.3 C=CCCCOCCOCCCl 7a_100011215305_100000757094 [0,2,0,0,0,0|0,0,2]=4 19029 B11R0.3 C=CCCCOCCOCCF 34a_200015357709_100000757094 [0,2,0,0,0,0|0,0,2]=4 19030 B11R0.3 C=CCCCOCCOCCF 7a_200015357709_100000757094 [0,2,0,0,0,0|0,0,2]=4 19031 B11R0.3 C=CCCCOCCOCCI 34a_100012149058_100000757094 [0,2,0,0,0,0|0,0,2]=4 19032 B11R0.3 C=CCCCOCCOCCI 7a_100012149058_100000757094 [0,2,0,0,0,0|0,0,2]=4 19033 B11R0.3 C=CCCCOCCOCCN 34a_100000211614_100000757094 [0,2,0,0,0,0|0,0,2]=4 19034 B11R0.3 C=CCCCOCCOCCO 34a_100000758997_100000692535 [0,2,0,0,0,0|0,0,2]=4 19035 B11R0.3 C=CCCCOCCOCCO 7a_100000758997_100011215305 [0,2,0,0,0,0|0,0,2]=4 19036 B11R0.3 C=CCCCOCCSCCC 34a_200000230433_100000757094 [0,2,0,0,0,0|0,0,1]=3 19037 B11R0.3 C=CCCCOCCSCCC 7a_200000230433_100000757094 [0,2,0,0,0,0|0,0,1]=3 19038 B11R0.3 C=CCCCOCOCCCC 34a_100000758997_100011995733 [0,2,0,0,0,0|0,0,1]=3 19039 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [0,2,0,0,0,0|0,1,1]=4 19040 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [0,2,0,0,0,0|0,1,1]=4 19041 B11R0.3 C=CCCCSCCCCCF 62a_100000729378_100000757094 [0,2,0,0,0,0|0,1,1]=4 19042 B11R0.3 C=CCCCSCCCCCF 62a_100011713584_100000729378 [0,2,0,0,0,0|0,1,1]=4 19043 B11R0.3 C=CCCCSCCCCCO 62a_100000746330_100000757094 [0,2,0,0,0,0|0,1,1]=4 19044 B11R0.3 C=CCCCSCCCCCO 62a_100011713584_100000746330 [0,2,0,0,0,0|0,1,1]=4 19045 B11R0.3 C=CCCCSCCCCOC 62a_100000730899_100000757094 [0,2,0,0,0,0|0,1,1]=4 19046 B11R0.3 C=CCCCSCCCCOC 62a_100011713584_100000730899 [0,2,0,0,0,0|0,1,1]=4 19047 B11R0.3 C=CCCCSCCCOCC 62a_100011713584_100012232248 [0,2,0,0,0,0|0,1,1]=4 19048 B11R0.3 C=CCCCSCCCOCC 62a_100012232248_100000757094 [0,2,0,0,0,0|0,1,1]=4 19049 B11R0.3 C=CCCCSCCOCCC 62a_100011215938_100000757094 [0,2,0,0,0,0|0,1,1]=4 19050 B11R0.3 C=CCCCSCCOCCC 62a_100011713584_100011215938 [0,2,0,0,0,0|0,1,1]=4 19051 B11R0.3 C=CCCCSCOCCCC 62a_100011713584_100011995733 [0,2,0,0,0,0|0,0,1]=3 19052 B11R0.3 C=CCCCSCOCCCC 62a_100011995733_100000757094 [0,2,0,0,0,0|0,0,1]=3 19053 B11R0.3 C=CCCCSCOCCOC 62a_100000231047_100000757094 [0,2,0,0,0,0|1,0,1]=4 19054 B11R0.3 C=CCCCSCOCCOC 62a_100011713584_100000231047 [0,2,0,0,0,0|1,0,1]=4 19055 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [0,2,0,0,0,0|1,0,1]=4 19056 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [0,2,0,0,0,0|1,0,1]=4 19057 B11R0.3 C=CCCNCCOCCCC 2230a_100015191253_100000743108 [0,2,0,0,0,0|0,0,1]=3 19058 B11R0.3 C=CCCNCCOCCOC 2230a_100000745349_100000754431 [0,2,0,0,0,0|1,0,1]=4 19059 B11R0.3 C=CCCNCCOCCOC 2230a_100015191253_100000695917 [0,2,0,0,0,0|1,0,1]=4 19060 B11R0.3 C=CCCNCCOCCOC 34a_100000745349_100000754431 [0,2,0,0,0,0|1,0,1]=4 19061 B11R0.3 C=CCCNCCSCCCC 2230a_100025743550_100000754431 [0,2,0,0,0,0|0,1,1]=4 19062 B11R0.3 C=CCCOC/C=C/CCCC 34a_200016272032_100000754431 [0,2,0,0,0,0|0,0,2]=4 19063 B11R0.3 C=CCCOC/C=C/CCCC 7a_200016272032_100000754431 [0,2,0,0,0,0|0,0,2]=4 19064 B11R0.3 C=CCCOCC#CCCCC 34a_200000034558_100000754431 [0,2,0,0,0,0|0,0,2]=4 19065 B11R0.3 C=CCCOCC#CCCCC 7a_200000034558_100000754431 [0,2,0,0,0,0|0,0,2]=4 19066 B11R0.3 C=CCCOCCC#CCCC 34a_100000042726_100000754431 [0,2,0,0,0,0|0,0,2]=4 19067 B11R0.3 C=CCCOCCC#CCCC 7a_100000042726_100000754431 [0,2,0,0,0,0|0,0,2]=4 19068 B11R0.3 C=CCCOCCC/C=C/CC 34a_100016287902_100000754431 [0,2,0,0,0,0|0,0,2]=4 19069 B11R0.3 C=CCCOCCC/C=C/CC 7a_100016287902_100000754431 [0,2,0,0,0,0|0,0,2]=4 19070 B11R0.3 C=CCCOCCCCCCBr 34a_100011215345_100000754431 [0,2,0,0,0,0|0,0,2]=4 19071 B11R0.3 C=CCCOCCCCCCBr 7a_100011215345_100000754431 [0,2,0,0,0,0|0,0,2]=4 19072 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [0,2,0,0,0,0|0,0,2]=4 19073 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [0,2,0,0,0,0|0,0,2]=4 19074 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [0,2,0,0,0,0|0,0,2]=4 19075 B11R0.3 C=CCCOCCCCCCCl 34a_100000766143_100000754431 [0,2,0,0,0,0|0,0,2]=4 19076 B11R0.3 C=CCCOCCCCCCCl 7a_100000766143_100000754431 [0,2,0,0,0,0|0,0,2]=4 19077 B11R0.3 C=CCCOCCCCCCF 34a_100000732779_100000754431 [0,2,0,0,0,0|0,0,2]=4 19078 B11R0.3 C=CCCOCCCCCCF 34a_100011205117_100015922095 [0,2,0,0,0,0|0,0,2]=4 19079 B11R0.3 C=CCCOCCCCCCF 7a_100000732779_100000754431 [0,2,0,0,0,0|0,0,2]=4 19080 B11R0.3 C=CCCOCCCCCCN 34a_100000686447_100000754431 [0,2,0,0,0,0|0,0,2]=4 19081 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [0,2,0,0,0,0|0,0,2]=4 19082 B11R0.3 C=CCCOCCCCCNC 34a_100000722520_100000754431 [0,2,0,0,0,0|0,0,2]=4 19083 B11R0.3 C=CCCOCCOCCCC 34a_100000210238_100000754431 [0,2,0,0,0,0|0,0,1]=3 19084 B11R0.3 C=CCCOCCOCCCC 34a_100011205117_100000743108 [0,2,0,0,0,0|0,0,1]=3 19085 B11R0.3 C=CCCOCCOCCCC 7a_100000210238_100000754431 [0,2,0,0,0,0|0,0,1]=3 19086 B11R0.3 C=CCCOCCOCCNC 34a_100000228057_100000754431 [0,2,0,0,0,0|0,0,2]=4 19087 B11R0.3 C=CCCOCCOCCOC 34a_100011205117_100000695917 [0,2,0,0,0,0|0,0,2]=4 19088 B11R0.3 C=CCCOCCOCCOC 34a_100011215163_100000754431 [0,2,0,0,0,0|0,0,2]=4 19089 B11R0.3 C=CCCOCCOCCOC 7a_100011215163_100000754431 [0,2,0,0,0,0|0,0,2]=4 19090 B11R0.3 C=CCCOCCSCCCC 34a_200000230436_100000754431 [0,2,0,0,0,0|0,0,2]=4 19091 B11R0.3 C=CCCOCCSCCCC 7a_200000230436_100000754431 [0,2,0,0,0,0|0,0,2]=4 19092 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [0,2,0,0,0,0|1,0,1]=4 19093 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [0,2,0,0,0,0|1,0,1]=4 19094 B11R0.3 C=CCCSCCOCCCC 62a_100000743108_100000754431 [0,2,0,0,0,0|0,0,1]=3 19095 B11R0.3 C=CCCSCCOCCCC 62a_100000754431_100000743108 [0,2,0,0,0,0|0,0,1]=3 19096 B11R0.3 C=CCCSCCOCCOC 62a_100000695917_100000754431 [0,2,0,0,0,0|1,0,1]=4 19097 B11R0.3 C=CCCSCCOCCOC 62a_100000754431_100000695917 [0,2,0,0,0,0|1,0,1]=4 19098 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [0,2,0,0,0,0|1,0,1]=4 19099 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [0,2,0,0,0,0|1,0,1]=4 19100 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [0,2,0,0,0,0|1,0,1]=4 19101 B11R0.3 C=CCNCCCOCCCC 2230a_200000211371_100000210623 [0,2,0,0,0,0|0,0,1]=3 19102 B11R0.3 C=CCNCCCOCCCC 34a_200000211371_100015514636 [0,2,0,0,0,0|0,0,1]=3 19103 B11R0.3 C=CCNCCCOCCCO 2230a_100011310245_100000210623 [0,2,0,0,0,0|1,0,1]=4 19104 B11R0.3 C=CCNCCCOCCCO 34a_100011310245_100015514636 [0,2,0,0,0,0|1,0,1]=4 19105 B11R0.3 C=CCNCCCOCCOC 2230a_100000206027_100000210623 [0,2,0,0,0,0|1,0,1]=4 19106 B11R0.3 C=CCNCCCOCCOC 2230a_100020586998_100011216529 [0,2,0,0,0,0|1,0,1]=4 19107 B11R0.3 C=CCNCCCOCCOC 34a_100000206027_100015514636 [0,2,0,0,0,0|1,0,1]=4 19108 B11R0.3 C=CCNCCOCCOCC 2230a_100020586998_100011211534 [0,2,0,0,0,0|0,0,2]=4 19109 B11R0.3 C=CCNCCOCCOCC 2230a_100102712874_100000210623 [0,2,0,0,0,0|0,0,2]=4 19110 B11R0.3 C=CCNCCOCCOCC 34a_100102712874_100015514636 [0,2,0,0,0,0|0,0,2]=4 19111 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [0,2,0,0,0,0|1,0,1]=4 19112 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [0,2,0,0,0,0|1,0,1]=4 19113 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [0,2,0,0,0,0|1,0,1]=4 19114 B11R0.3 C=CCOCCCOCCCC 34a_200011215613_100015514636 [0,2,0,0,0,0|0,0,1]=3 19115 B11R0.3 C=CCOCCCOCCCC 7a_200011215613_100015514636 [0,2,0,0,0,0|0,0,1]=3 19116 B11R0.3 C=CCOCCCOCCCN 34a_100011310245_100015514636 [0,2,0,0,0,0|1,0,1]=4 19117 B11R0.3 C=CCOCCCOCCOC 34a_200000210373_100011216529 [0,2,0,0,0,0|1,0,1]=4 19118 B11R0.3 C=CCOCCNCCCCC 34a_100000224656_100015514636 [0,2,0,0,0,0|1,0,1]=4 19119 B11R0.3 C=CCOCCOCCCCC 34a_100000037705_100000718602 [0,2,0,0,0,0|0,0,1]=3 19120 B11R0.3 C=CCOCCOCCCCC 34a_100011215259_100015514636 [0,2,0,0,0,0|0,0,1]=3 19121 B11R0.3 C=CCOCCOCCCCC 7a_100000037705_100000210326 [0,2,0,0,0,0|0,0,1]=3 19122 B11R0.3 C=CCOCCOCCCCC 7a_100011215259_100015514636 [0,2,0,0,0,0|0,0,1]=3 19123 B11R0.3 C=CCOCCOCCCCF 34a_100000037705_100000729493 [0,2,0,0,0,0|0,0,2]=4 19124 B11R0.3 C=CCOCCOCCCCF 7a_100000037705_100000729493 [0,2,0,0,0,0|0,0,2]=4 19125 B11R0.3 C=CCOCCOCCCCO 34a_100000037705_100011216708 [0,2,0,0,0,0|0,0,2]=4 19126 B11R0.3 C=CCOCCOCCCCO 7a_100000037705_100000210776 [0,2,0,0,0,0|0,0,2]=4 19127 B11R0.3 C=CCOCCOCCCOC 34a_100000037705_100000740836 [0,2,0,0,0,0|0,0,2]=4 19128 B11R0.3 C=CCOCCOCCCOC 7a_100000037705_100000740836 [0,2,0,0,0,0|0,0,2]=4 19129 B11R0.3 C=CCOCCOCCOCC 34a_100000037705_100000210147 [0,2,0,0,0,0|0,0,2]=4 19130 B11R0.3 C=CCOCCOCCOCC 34a_100000065479_100000210202 [0,2,0,0,0,0|0,0,2]=4 19131 B11R0.3 C=CCOCCOCCOCC 34a_100000210240_100015514636 [0,2,0,0,0,0|0,0,2]=4 19132 B11R0.3 C=CCOCCOCCOCC 34a_200000210373_100011211534 [0,2,0,0,0,0|0,0,2]=4 19133 B11R0.3 C=CCOCCOCCOCC 7a_100000037705_100011215890 [0,2,0,0,0,0|0,0,2]=4 19134 B11R0.3 C=CCOCCOCCOCC 7a_100000065479_100000210202 [0,2,0,0,0,0|0,0,2]=4 19135 B11R0.3 C=CCOCCOCCOCC 7a_100000210240_100015514636 [0,2,0,0,0,0|0,0,2]=4 19136 B11R0.3 C=CCOCCOCCSCC 34a_100000037705_100000757381 [0,2,0,0,0,0|0,0,2]=4 19137 B11R0.3 C=CCOCCOCCSCC 7a_100000037705_100000757381 [0,2,0,0,0,0|0,0,2]=4 19138 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [0,2,0,0,0,0|1,0,1]=4 19139 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [0,2,0,0,0,0|1,0,1]=4 19140 B11R0.3 C=CCSCCCOCCOC 62a_100000210623_100011216529 [0,2,0,0,0,0|1,0,1]=4 19141 B11R0.3 C=CCSCCCOCCOC 62a_100011216529_100000210623 [0,2,0,0,0,0|1,0,1]=4 19142 B11R0.3 C=CCSCCOCCOCC 62a_100000210623_100011211534 [0,2,0,0,0,0|0,0,2]=4 19143 B11R0.3 C=CCSCCOCCOCC 62a_100011211534_100000210623 [0,2,0,0,0,0|0,0,2]=4 19144 B11R0.3 C=COCCCCOCCCC 34a_100000031558_100000210210 [0,2,0,0,0,0|0,0,1]=3 19145 B11R0.3 C=COCCCCOCCCC 7a_100000031558_100000210211 [0,2,0,0,0,0|0,0,1]=3 19146 B11R0.3 C=COCCCCOCCCF 34a_100000031558_100011934791 [0,2,0,0,0,0|1,0,1]=4 19147 B11R0.3 C=COCCCCOCCCF 7a_100000031558_100011934791 [0,2,0,0,0,0|1,0,1]=4 19148 B11R0.3 C=COCCCCOCCCO 34a_100000031558_100000230001 [0,2,0,0,0,0|1,0,1]=4 19149 B11R0.3 C=COCCCCOCCCO 7a_100000031558_100011215043 [0,2,0,0,0,0|1,0,1]=4 19150 B11R0.3 C=COCCCCOCCOC 34a_100000031558_100011201679 [0,2,0,0,0,0|1,0,1]=4 19151 B11R0.3 C=COCCCCOCCOC 7a_100000031558_100000233755 [0,2,0,0,0,0|1,0,1]=4 19152 B11R0.3 C=COCCCCOCCSC 34a_100000031558_100000212216 [0,2,0,0,0,0|1,0,1]=4 19153 B11R0.3 C=COCCCCOCCSC 7a_100000031558_100000212216 [0,2,0,0,0,0|1,0,1]=4 19154 B11R0.3 C=COCCCNCCCCC 2230a_100000210767_100000210326 [0,2,0,0,0,0|1,0,1]=4 19155 B11R0.3 C=COCCCNCCCCC 34a_100000210767_100000718602 [0,2,0,0,0,0|1,0,1]=4 19156 B11R0.3 C=COCCOCCCCCBr 34a_100000746331_100000039644 [0,2,0,0,0,0|0,0,2]=4 19157 B11R0.3 C=COCCOCCCCCBr 7a_100000746331_100000039644 [0,2,0,0,0,0|0,0,2]=4 19158 B11R0.3 C=COCCOCCCCCC 34a_100000033082_100000210314 [0,2,0,0,0,0|0,0,2]=4 19159 B11R0.3 C=COCCOCCCCCC 34a_100000210259_100000039644 [0,2,0,0,0,0|0,0,2]=4 19160 B11R0.3 C=COCCOCCCCCC 7a_100000210259_100000039644 [0,2,0,0,0,0|0,0,2]=4 19161 B11R0.3 C=COCCOCCCCCCl 34a_100000746330_100000039644 [0,2,0,0,0,0|0,0,2]=4 19162 B11R0.3 C=COCCOCCCCCCl 7a_100000746330_100000039644 [0,2,0,0,0,0|0,0,2]=4 19163 B11R0.3 C=COCCOCCCCCF 34a_100000033082_100000729378 [0,2,0,0,0,0|0,0,2]=4 19164 B11R0.3 C=COCCOCCCCCI 34a_200012148887_100000039644 [0,2,0,0,0,0|0,0,2]=4 19165 B11R0.3 C=COCCOCCCCCI 7a_200012148887_100000039644 [0,2,0,0,0,0|0,0,2]=4 19166 B11R0.3 C=COCCOCCCCCN 34a_100000762737_100000039644 [0,2,0,0,0,0|0,0,2]=4 19167 B11R0.3 C=COCCOCCCCCO 34a_100000033082_100000746330 [0,2,0,0,0,0|0,0,2]=4 19168 B11R0.3 C=COCCOCCCCOC 34a_100000033082_100000755781 [0,2,0,0,0,0|0,0,2]=4 19169 B11R0.3 C=COCCOCCCCOC 34a_100000740925_100000039644 [0,2,0,0,0,0|0,0,2]=4 19170 B11R0.3 C=COCCOCCCCSC 34a_100011217163_100000039644 [0,2,0,0,0,0|0,0,2]=4 19171 B11R0.3 C=COCCOCCCCSC 7a_100011217163_100000039644 [0,2,0,0,0,0|0,0,2]=4 19172 B11R0.3 C=COCCOCCCOCC 34a_100000033082_100012232248 [0,2,0,0,0,0|0,0,2]=4 19173 B11R0.3 C=COCCOCCCOCC 34a_100000757476_100000039644 [0,2,0,0,0,0|0,0,2]=4 19174 B11R0.3 C=COCCOCCCOCC 7a_100000757476_100000039644 [0,2,0,0,0,0|0,0,2]=4 19175 B11R0.3 C=COCCOCCCSCC 34a_100011216438_100000039644 [0,2,0,0,0,0|0,0,2]=4 19176 B11R0.3 C=COCCOCCCSCC 7a_100011216438_100000039644 [0,2,0,0,0,0|0,0,2]=4 19177 B11R0.3 C=COCCOCCOCCC 34a_100000033082_100011215938 [0,2,0,0,0,0|0,0,2]=4 19178 B11R0.3 C=COCCOCCOCCC 34a_100000039918_100000210303 [0,2,0,0,0,0|0,0,2]=4 19179 B11R0.3 C=COCCOCCOCCC 34a_100000752267_100000039644 [0,2,0,0,0,0|0,0,2]=4 19180 B11R0.3 C=COCCOCCOCCC 7a_100000039918_100000210303 [0,2,0,0,0,0|0,0,2]=4 19181 B11R0.3 C=COCCOCCOCCC 7a_100000752267_100000039644 [0,2,0,0,0,0|0,0,2]=4 19182 B11R0.3 C=COCCOCCSCCC 34a_200000230433_100000039644 [0,2,0,0,0,0|0,0,2]=4 19183 B11R0.3 C=COCCOCCSCCC 7a_200000230433_100000039644 [0,2,0,0,0,0|0,0,2]=4 19184 B11R0.3 C=COCCOCOCCCC 34a_100000033082_100011995733 [0,2,0,0,0,0|0,0,2]=4 19185 B11R0.3 C=COCCSCOCCCC 62a_100000039644_100011995733 [0,2,0,0,0,0|0,0,2]=4 19186 B11R0.3 C=COCCSCOCCCC 62a_100011995733_100000039644 [0,2,0,0,0,0|0,0,2]=4 19187 B11R0.3 CC#CCCOCC/C=C\CC 34a_100000750427_100015370543 [0,2,0,0,0,0|0,0,2]=4 19188 B11R0.3 CC#CCCOCCCCCC 34a_100000750427_100000210314 [0,2,0,0,0,0|0,0,1]=3 19189 B11R0.3 CC#CCCOCCCCCF 34a_100000750427_100000729378 [0,2,0,0,0,0|0,0,1]=3 19190 B11R0.3 CC#CCCOCCCCCO 34a_100000750427_100000746330 [0,2,0,0,0,0|0,0,1]=3 19191 B11R0.3 CC#CCCOCCCCOC 34a_100000750427_100000755781 [0,2,0,0,0,0|0,0,1]=3 19192 B11R0.3 CC#CCCOCCCOCC 34a_100000750427_100012232248 [0,2,0,0,0,0|0,0,1]=3 19193 B11R0.3 CC#CCCOCCOCCC 34a_100000750427_100011215938 [0,2,0,0,0,0|0,0,1]=3 19194 B11R0.3 CC#CCCOCCOCCO 34a_100000750427_100000692535 [0,2,0,0,0,0|0,0,2]=4 19195 B11R0.3 CC#CCCOCOCCCC 34a_100000750427_100011995733 [0,2,0,0,0,0|0,0,1]=3 19196 B11R0.3 CC#CCNCCCCCCC 2230a_100000229938_100000748600 [0,2,0,0,0,0|1,0,1]=4 19197 B11R0.3 CC#CCNCCCCCCC 2230a_100000685387_100000210681 [0,2,0,0,0,0|1,0,1]=4 19198 B11R0.3 CC#CCNCCCCCCC 34a_100000685387_100000210614 [0,2,0,0,0,0|1,0,1]=4 19199 B11R0.3 CC#CCNCCOCCCC 2230a_100000685387_100000743108 [0,2,0,0,0,0|0,0,1]=3 19200 B11R0.3 CC#CCNCCOCCCC 34a_100000685387_100000743108 [0,2,0,0,0,0|0,0,1]=3 19201 B11R0.3 CC#CCNCCOCCOC 2230a_100000685387_100000695917 [0,2,0,0,0,0|1,0,1]=4 19202 B11R0.3 CC#CCNCCOCCOC 2230a_100000745349_100000748600 [0,2,0,0,0,0|1,0,1]=4 19203 B11R0.3 CC#CCNCCOCCOC 34a_100000685387_100000695917 [0,2,0,0,0,0|1,0,1]=4 19204 B11R0.3 CC#CCNCCOCCOC 34a_100000745349_100000748600 [0,2,0,0,0,0|1,0,1]=4 19205 B11R0.3 CC#CCNCCSCCCC 2230a_100025743550_100000748600 [0,2,0,0,0,0|0,1,1]=4 19206 B11R0.3 CC#CCOC/C=C/CCCC 34a_200016272032_100000748600 [0,2,0,0,0,0|0,0,2]=4 19207 B11R0.3 CC#CCOC/C=C/CCCC 7a_200016272032_100000748600 [0,2,0,0,0,0|0,0,2]=4 19208 B11R0.3 CC#CCOCC#CCCCC 34a_200000034558_100000748600 [0,2,0,0,0,0|0,0,2]=4 19209 B11R0.3 CC#CCOCC#CCCCC 7a_200000034558_100000748600 [0,2,0,0,0,0|0,0,2]=4 19210 B11R0.3 CC#CCOCCC#CCCC 34a_100000042726_100000748600 [0,2,0,0,0,0|0,0,2]=4 19211 B11R0.3 CC#CCOCCC#CCCC 7a_100000042726_100000748600 [0,2,0,0,0,0|0,0,2]=4 19212 B11R0.3 CC#CCOCCC/C=C/CC 34a_100016287902_100000748600 [0,2,0,0,0,0|0,0,2]=4 19213 B11R0.3 CC#CCOCCC/C=C/CC 7a_100016287902_100000748600 [0,2,0,0,0,0|0,0,2]=4 19214 B11R0.3 CC#CCOCCCCCCBr 34a_100011215345_100000748600 [0,2,0,0,0,0|0,0,2]=4 19215 B11R0.3 CC#CCOCCCCCCBr 7a_100011215345_100000748600 [0,2,0,0,0,0|0,0,2]=4 19216 B11R0.3 CC#CCOCCCCCCC 34a_100000210272_100000748600 [0,2,0,0,0,0|0,0,2]=4 19217 B11R0.3 CC#CCOCCCCCCC 34a_100000761923_100000210614 [0,2,0,0,0,0|0,0,2]=4 19218 B11R0.3 CC#CCOCCCCCCC 7a_100000210272_100000748600 [0,2,0,0,0,0|0,0,2]=4 19219 B11R0.3 CC#CCOCCCCCCCl 34a_100000766143_100000748600 [0,2,0,0,0,0|0,0,2]=4 19220 B11R0.3 CC#CCOCCCCCCCl 7a_100000766143_100000748600 [0,2,0,0,0,0|0,0,2]=4 19221 B11R0.3 CC#CCOCCCCCCF 34a_100000732779_100000748600 [0,2,0,0,0,0|0,0,2]=4 19222 B11R0.3 CC#CCOCCCCCCF 34a_100000761923_100015922095 [0,2,0,0,0,0|0,0,2]=4 19223 B11R0.3 CC#CCOCCCCCCF 7a_100000732779_100000748600 [0,2,0,0,0,0|0,0,2]=4 19224 B11R0.3 CC#CCOCCCCCCN 34a_100000686447_100000748600 [0,2,0,0,0,0|0,0,2]=4 19225 B11R0.3 CC#CCOCCCCCCO 34a_100000761923_100000766143 [0,2,0,0,0,0|0,0,2]=4 19226 B11R0.3 CC#CCOCCCCCNC 34a_100000722520_100000748600 [0,2,0,0,0,0|0,0,2]=4 19227 B11R0.3 CC#CCOCCOCCCC 34a_100000210238_100000748600 [0,2,0,0,0,0|0,0,1]=3 19228 B11R0.3 CC#CCOCCOCCCC 34a_100000761923_100000743108 [0,2,0,0,0,0|0,0,1]=3 19229 B11R0.3 CC#CCOCCOCCCC 7a_100000210238_100000748600 [0,2,0,0,0,0|0,0,1]=3 19230 B11R0.3 CC#CCOCCOCCNC 34a_100000228057_100000748600 [0,2,0,0,0,0|0,0,2]=4 19231 B11R0.3 CC#CCOCCOCCOC 34a_100000761923_100000695917 [0,2,0,0,0,0|0,0,2]=4 19232 B11R0.3 CC#CCOCCOCCOC 34a_100011215163_100000748600 [0,2,0,0,0,0|0,0,2]=4 19233 B11R0.3 CC#CCOCCOCCOC 7a_100011215163_100000748600 [0,2,0,0,0,0|0,0,2]=4 19234 B11R0.3 CC#CCOCCSCCCC 34a_200000230436_100000748600 [0,2,0,0,0,0|0,0,2]=4 19235 B11R0.3 CC#CCOCCSCCCC 7a_200000230436_100000748600 [0,2,0,0,0,0|0,0,2]=4 19236 B11R0.3 CC#CCSCCCCCCC 62a_100000210614_100000748600 [0,2,0,0,0,0|1,0,1]=4 19237 B11R0.3 CC#CCSCCCCCCC 62a_100000748600_100000210316 [0,2,0,0,0,0|1,0,1]=4 19238 B11R0.3 CC#CCSCCOCCCC 62a_100000743108_100000748600 [0,2,0,0,0,0|0,0,1]=3 19239 B11R0.3 CC#CCSCCOCCCC 62a_100000748600_100000743108 [0,2,0,0,0,0|0,0,1]=3 19240 B11R0.3 CC#CCSCCOCCOC 62a_100000695917_100000748600 [0,2,0,0,0,0|1,0,1]=4 19241 B11R0.3 CC#CCSCCOCCOC 62a_100000748600_100000695917 [0,2,0,0,0,0|1,0,1]=4 19242 B11R0.3 CC/C=C/CCCOCCC#N 7a_100016287902_100000184422 [0,2,0,0,0,0|1,0,1]=4 19243 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [0,2,0,0,0,0|0,0,0]=2 19244 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [0,2,0,0,0,0|0,0,0]=2 19245 B11R0.3 CC/C=C/CCCOCCCF 34a_100016287902_100011934791 [0,2,0,0,0,0|1,0,0]=3 19246 B11R0.3 CC/C=C/CCCOCCCF 7a_100016287902_100011934791 [0,2,0,0,0,0|1,0,0]=3 19247 B11R0.3 CC/C=C/CCCOCCCO 34a_100016287902_100000230001 [0,2,0,0,0,0|1,0,0]=3 19248 B11R0.3 CC/C=C/CCCOCCCO 7a_100016287902_100011215043 [0,2,0,0,0,0|1,0,0]=3 19249 B11R0.3 CC/C=C/CCCOCCOC 34a_100016287902_100011201679 [0,2,0,0,0,0|1,0,0]=3 19250 B11R0.3 CC/C=C/CCCOCCOC 7a_100016287902_100000233755 [0,2,0,0,0,0|1,0,0]=3 19251 B11R0.3 CC/C=C/CCCOCCSC 34a_100016287902_100000212216 [0,2,0,0,0,0|1,0,0]=3 19252 B11R0.3 CC/C=C/CCCOCCSC 7a_100016287902_100000212216 [0,2,0,0,0,0|1,0,0]=3 19253 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [0,2,0,0,0,0|1,0,1]=4 19254 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [0,2,0,0,0,0|1,0,1]=4 19255 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [0,2,0,0,0,0|1,0,1]=4 19256 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [0,2,0,0,0,0|1,0,1]=4 19257 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [0,2,0,0,0,0|1,0,1]=4 19258 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [0,2,0,0,0,0|1,0,0]=3 19259 B11R0.3 CC/C=C\CCNCCCCO 2230a_100000750430_100015370543 [0,2,0,0,0,0|1,0,1]=4 19260 B11R0.3 CC/C=C\CCNCCCCO 34a_100000750430_100015370543 [0,2,0,0,0,0|1,0,1]=4 19261 B11R0.3 CC/C=C\CCNCCCOC 34a_100150723488_100015370543 [0,2,0,0,0,0|1,0,1]=4 19262 B11R0.3 CC/C=C\CCNCCCSC 2230a_100000749238_100015370543 [0,2,0,0,0,0|1,0,1]=4 19263 B11R0.3 CC/C=C\CCNCCOCC 2230a_102516460346_100015370543 [0,2,0,0,0,0|1,0,1]=4 19264 B11R0.3 CC/C=C\CCNCCOCC 34a_102516460346_100015370543 [0,2,0,0,0,0|1,0,1]=4 19265 B11R0.3 CC/C=C\CCNCCSCC 2230a_100000106463_100015370543 [0,2,0,0,0,0|1,0,1]=4 19266 B11R0.3 CC/C=C\CCOC/C=C\CC 34a_100016268518_100015370543 [0,2,0,0,0,0|0,0,2]=4 19267 B11R0.3 CC/C=C\CCOC/C=C\CC 34a_100016288707_100103147603 [0,2,0,0,0,0|0,0,2]=4 19268 B11R0.3 CC/C=C\CCOC/C=C\CC 7a_100016288707_100103147603 [0,2,0,0,0,0|0,0,2]=4 19269 B11R0.3 CC/C=C\CCOCCCC#N 7a_100016288707_100000687738 [0,2,0,0,0,0|0,0,2]=4 19270 B11R0.3 CC/C=C\CCOCCCC=O 7a_100016288707_200011292268 [0,2,0,0,0,0|0,0,2]=4 19271 B11R0.3 CC/C=C\CCOCCCCBr 34a_100011216708_100015370543 [0,2,0,0,0,0|0,0,1]=3 19272 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [0,2,0,0,0,0|0,0,0]=2 19273 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [0,2,0,0,0,0|0,0,0]=2 19274 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [0,2,0,0,0,0|0,0,0]=2 19275 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [0,2,0,0,0,0|0,0,0]=2 19276 B11R0.3 CC/C=C\CCOCCCCCl 34a_100000210776_100015370543 [0,2,0,0,0,0|0,0,1]=3 19277 B11R0.3 CC/C=C\CCOCCCCCl 7a_100000210776_100015370543 [0,2,0,0,0,0|0,0,1]=3 19278 B11R0.3 CC/C=C\CCOCCCCF 34a_100011995726_100015370543 [0,2,0,0,0,0|0,0,1]=3 19279 B11R0.3 CC/C=C\CCOCCCCF 34a_100016288707_100000729493 [0,2,0,0,0,0|0,0,1]=3 19280 B11R0.3 CC/C=C\CCOCCCCF 7a_100011995726_100015370543 [0,2,0,0,0,0|0,0,1]=3 19281 B11R0.3 CC/C=C\CCOCCCCF 7a_100016288707_100000729493 [0,2,0,0,0,0|0,0,1]=3 19282 B11R0.3 CC/C=C\CCOCCCCI 34a_200012148704_100015370543 [0,2,0,0,0,0|0,0,1]=3 19283 B11R0.3 CC/C=C\CCOCCCCN 34a_100000750430_100015370543 [0,2,0,0,0,0|0,0,1]=3 19284 B11R0.3 CC/C=C\CCOCCCCO 34a_100016288707_100011216708 [0,2,0,0,0,0|0,0,1]=3 19285 B11R0.3 CC/C=C\CCOCCCCO 7a_100016288707_100000210776 [0,2,0,0,0,0|0,0,1]=3 19286 B11R0.3 CC/C=C\CCOCCCNC 34a_100000213112_100015370543 [0,2,0,0,0,0|0,0,1]=3 19287 B11R0.3 CC/C=C\CCOCCCOC 34a_100000740835_100015370543 [0,2,0,0,0,0|0,0,1]=3 19288 B11R0.3 CC/C=C\CCOCCCOC 34a_100016288707_100000740836 [0,2,0,0,0,0|0,0,1]=3 19289 B11R0.3 CC/C=C\CCOCCCOC 7a_100016288707_100000740836 [0,2,0,0,0,0|0,0,1]=3 19290 B11R0.3 CC/C=C\CCOCCCSC 34a_100000690336_100015370543 [0,2,0,0,0,0|0,0,1]=3 19291 B11R0.3 CC/C=C\CCOCCCSC 7a_100000690336_100015370543 [0,2,0,0,0,0|0,0,1]=3 19292 B11R0.3 CC/C=C\CCOCCOCC 34a_100000210136_100015370543 [0,2,0,0,0,0|0,0,1]=3 19293 B11R0.3 CC/C=C\CCOCCOCC 34a_100016288707_100000210147 [0,2,0,0,0,0|0,0,1]=3 19294 B11R0.3 CC/C=C\CCOCCOCC 7a_100000210136_100015370543 [0,2,0,0,0,0|0,0,1]=3 19295 B11R0.3 CC/C=C\CCOCCOCC 7a_100016288707_100011215890 [0,2,0,0,0,0|0,0,1]=3 19296 B11R0.3 CC/C=C\CCOCCSCC 34a_100000212035_100015370543 [0,2,0,0,0,0|0,0,1]=3 19297 B11R0.3 CC/C=C\CCOCCSCC 34a_100016288707_100000757381 [0,2,0,0,0,0|0,0,1]=3 19298 B11R0.3 CC/C=C\CCOCCSCC 7a_100000212035_100015370543 [0,2,0,0,0,0|0,0,1]=3 19299 B11R0.3 CC/C=C\CCOCCSCC 7a_100016288707_100000757381 [0,2,0,0,0,0|0,0,1]=3 19300 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [0,2,0,0,0,0|0,1,0]=3 19301 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [0,2,0,0,0,0|0,1,0]=3 19302 B11R0.3 CC/C=C\CCSCCCCF 62a_100000729493_100015370543 [0,2,0,0,0,0|0,1,1]=4 19303 B11R0.3 CC/C=C\CCSCCCCF 62a_100015370543_100000729493 [0,2,0,0,0,0|0,1,1]=4 19304 B11R0.3 CC/C=C\CCSCCCCO 62a_100000210776_100015370543 [0,2,0,0,0,0|0,1,1]=4 19305 B11R0.3 CC/C=C\CCSCCCCO 62a_100015370543_100000210776 [0,2,0,0,0,0|0,1,1]=4 19306 B11R0.3 CC/C=C\CCSCCCOC 62a_100000709357_100015370543 [0,2,0,0,0,0|0,1,1]=4 19307 B11R0.3 CC/C=C\CCSCCCOC 62a_100015370543_100000709357 [0,2,0,0,0,0|0,1,1]=4 19308 B11R0.3 CC/C=C\CCSCCOCC 62a_100000210147_100015370543 [0,2,0,0,0,0|0,1,1]=4 19309 B11R0.3 CC/C=C\CCSCCOCC 62a_100015370543_100011215890 [0,2,0,0,0,0|0,1,1]=4 19310 B11R0.3 CC/C=C\CCSCCSCC 62a_100000757381_100015370543 [0,2,0,0,0,0|0,1,1]=4 19311 B11R0.3 CC/C=C\CCSCCSCC 62a_100015370543_100000757381 [0,2,0,0,0,0|0,1,1]=4 19312 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [0,2,0,0,0,0|1,0,1]=4 19313 B11R0.3 CC/C=C\CNCCCCCO 2230a_100000762737_100103147603 [0,2,0,0,0,0|1,0,1]=4 19314 B11R0.3 CC/C=C\CNCCCCCO 34a_100000762737_100103147603 [0,2,0,0,0,0|1,0,1]=4 19315 B11R0.3 CC/C=C\CNCCCOCC 2230a_100000210961_100103147603 [0,2,0,0,0,0|1,0,1]=4 19316 B11R0.3 CC/C=C\CNCCCOCC 34a_100000210961_100103147603 [0,2,0,0,0,0|1,0,1]=4 19317 B11R0.3 CC/C=C\CNCCOCCC 2230a_100161115042_100103147603 [0,2,0,0,0,0|1,0,1]=4 19318 B11R0.3 CC/C=C\CNCCOCCC 34a_100161115042_100103147603 [0,2,0,0,0,0|1,0,1]=4 19319 B11R0.3 CC/C=C\CNCCSCCC 2230a_100020603323_100103147603 [0,2,0,0,0,0|1,0,1]=4 19320 B11R0.3 CC/C=C\COC/C=C/CCC 34a_100016278788_100103147603 [0,2,0,0,0,0|0,0,2]=4 19321 B11R0.3 CC/C=C\COC/C=C/CCC 7a_100016278788_100103147603 [0,2,0,0,0,0|0,0,2]=4 19322 B11R0.3 CC/C=C\COCC#CCCC 34a_100000034806_100103147603 [0,2,0,0,0,0|0,0,2]=4 19323 B11R0.3 CC/C=C\COCC#CCCC 7a_100000034806_100103147603 [0,2,0,0,0,0|0,0,2]=4 19324 B11R0.3 CC/C=C\COCCCCCBr 34a_100000746331_100103147603 [0,2,0,0,0,0|0,0,1]=3 19325 B11R0.3 CC/C=C\COCCCCCBr 7a_100000746331_100103147603 [0,2,0,0,0,0|0,0,1]=3 19326 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [0,2,0,0,0,0|0,0,1]=3 19327 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [0,2,0,0,0,0|0,0,1]=3 19328 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [0,2,0,0,0,0|0,0,1]=3 19329 B11R0.3 CC/C=C\COCCCCCCl 34a_100000746330_100103147603 [0,2,0,0,0,0|0,0,1]=3 19330 B11R0.3 CC/C=C\COCCCCCCl 7a_100000746330_100103147603 [0,2,0,0,0,0|0,0,1]=3 19331 B11R0.3 CC/C=C\COCCCCCF 34a_100016268518_100000729378 [0,2,0,0,0,0|0,0,1]=3 19332 B11R0.3 CC/C=C\COCCCCCI 34a_200012148887_100103147603 [0,2,0,0,0,0|0,0,1]=3 19333 B11R0.3 CC/C=C\COCCCCCI 7a_200012148887_100103147603 [0,2,0,0,0,0|0,0,1]=3 19334 B11R0.3 CC/C=C\COCCCCCN 34a_100000762737_100103147603 [0,2,0,0,0,0|0,0,1]=3 19335 B11R0.3 CC/C=C\COCCCCCO 34a_100016268518_100000746330 [0,2,0,0,0,0|0,0,1]=3 19336 B11R0.3 CC/C=C\COCCCCOC 34a_100000740925_100103147603 [0,2,0,0,0,0|0,0,1]=3 19337 B11R0.3 CC/C=C\COCCCCOC 34a_100016268518_100000755781 [0,2,0,0,0,0|0,0,1]=3 19338 B11R0.3 CC/C=C\COCCCCSC 34a_100011217163_100103147603 [0,2,0,0,0,0|0,0,1]=3 19339 B11R0.3 CC/C=C\COCCCCSC 7a_100011217163_100103147603 [0,2,0,0,0,0|0,0,1]=3 19340 B11R0.3 CC/C=C\COCCCOCC 34a_100000757476_100103147603 [0,2,0,0,0,0|0,0,1]=3 19341 B11R0.3 CC/C=C\COCCCOCC 34a_100016268518_100012232248 [0,2,0,0,0,0|0,0,1]=3 19342 B11R0.3 CC/C=C\COCCCOCC 7a_100000757476_100103147603 [0,2,0,0,0,0|0,0,1]=3 19343 B11R0.3 CC/C=C\COCCCSCC 34a_100011216438_100103147603 [0,2,0,0,0,0|0,0,1]=3 19344 B11R0.3 CC/C=C\COCCCSCC 7a_100011216438_100103147603 [0,2,0,0,0,0|0,0,1]=3 19345 B11R0.3 CC/C=C\COCCOCCBr 34a_100000692535_100103147603 [0,2,0,0,0,0|0,0,2]=4 19346 B11R0.3 CC/C=C\COCCOCCBr 7a_100000692535_100103147603 [0,2,0,0,0,0|0,0,2]=4 19347 B11R0.3 CC/C=C\COCCOCCC 34a_100000752267_100103147603 [0,2,0,0,0,0|0,0,1]=3 19348 B11R0.3 CC/C=C\COCCOCCC 34a_100016268518_100011215938 [0,2,0,0,0,0|0,0,1]=3 19349 B11R0.3 CC/C=C\COCCOCCC 7a_100000752267_100103147603 [0,2,0,0,0,0|0,0,1]=3 19350 B11R0.3 CC/C=C\COCCOCCCl 34a_100011215305_100103147603 [0,2,0,0,0,0|0,0,2]=4 19351 B11R0.3 CC/C=C\COCCOCCCl 7a_100011215305_100103147603 [0,2,0,0,0,0|0,0,2]=4 19352 B11R0.3 CC/C=C\COCCOCCF 34a_200015357709_100103147603 [0,2,0,0,0,0|0,0,2]=4 19353 B11R0.3 CC/C=C\COCCOCCF 7a_200015357709_100103147603 [0,2,0,0,0,0|0,0,2]=4 19354 B11R0.3 CC/C=C\COCCOCCI 34a_100012149058_100103147603 [0,2,0,0,0,0|0,0,2]=4 19355 B11R0.3 CC/C=C\COCCOCCI 7a_100012149058_100103147603 [0,2,0,0,0,0|0,0,2]=4 19356 B11R0.3 CC/C=C\COCCOCCN 34a_100000211614_100103147603 [0,2,0,0,0,0|0,0,2]=4 19357 B11R0.3 CC/C=C\COCCOCCO 34a_100016268518_100000692535 [0,2,0,0,0,0|0,0,2]=4 19358 B11R0.3 CC/C=C\COCCSCCC 34a_200000230433_100103147603 [0,2,0,0,0,0|0,0,1]=3 19359 B11R0.3 CC/C=C\COCCSCCC 7a_200000230433_100103147603 [0,2,0,0,0,0|0,0,1]=3 19360 B11R0.3 CC/C=C\COCOCCCC 34a_100016268518_100011995733 [0,2,0,0,0,0|0,0,1]=3 19361 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [0,2,0,0,0,0|0,1,1]=4 19362 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [0,2,0,0,0,0|0,1,1]=4 19363 B11R0.3 CC/C=C\CSCCCCCF 62a_100000729378_100103147603 [0,2,0,0,0,0|0,1,1]=4 19364 B11R0.3 CC/C=C\CSCCCCCF 62a_100103147603_100000729378 [0,2,0,0,0,0|0,1,1]=4 19365 B11R0.3 CC/C=C\CSCCCCCO 62a_100000746330_100103147603 [0,2,0,0,0,0|0,1,1]=4 19366 B11R0.3 CC/C=C\CSCCCCCO 62a_100103147603_100000746330 [0,2,0,0,0,0|0,1,1]=4 19367 B11R0.3 CC/C=C\CSCCCCOC 62a_100000730899_100103147603 [0,2,0,0,0,0|0,1,1]=4 19368 B11R0.3 CC/C=C\CSCCCCOC 62a_100103147603_100000730899 [0,2,0,0,0,0|0,1,1]=4 19369 B11R0.3 CC/C=C\CSCCCOCC 62a_100012232248_100103147603 [0,2,0,0,0,0|0,1,1]=4 19370 B11R0.3 CC/C=C\CSCCCOCC 62a_100103147603_100012232248 [0,2,0,0,0,0|0,1,1]=4 19371 B11R0.3 CC/C=C\CSCCOCCC 62a_100011215938_100103147603 [0,2,0,0,0,0|0,1,1]=4 19372 B11R0.3 CC/C=C\CSCCOCCC 62a_100103147603_100011215938 [0,2,0,0,0,0|0,1,1]=4 19373 B11R0.3 CC/C=C\CSCOCCCC 62a_100011995733_100103147603 [0,2,0,0,0,0|0,0,1]=3 19374 B11R0.3 CC/C=C\CSCOCCCC 62a_100103147603_100011995733 [0,2,0,0,0,0|0,0,1]=3 19375 B11R0.3 CC/C=C\CSCOCCOC 62a_100000231047_100103147603 [0,2,0,0,0,0|1,0,1]=4 19376 B11R0.3 CC/C=C\CSCOCCOC 62a_100103147603_100000231047 [0,2,0,0,0,0|1,0,1]=4 19377 B11R0.3 CC=C=CCCOCCCCC 34a_100011020354_100000718602 [0,2,0,0,0,0|0,0,1]=3 19378 B11R0.3 CC=C=CCCOCCCCF 34a_100011020354_100000729493 [0,2,0,0,0,0|0,0,2]=4 19379 B11R0.3 CC=C=CCCOCCCCO 34a_100011020354_100011216708 [0,2,0,0,0,0|0,0,2]=4 19380 B11R0.3 CC=C=CCCOCCCOC 34a_100011020354_100000740836 [0,2,0,0,0,0|0,0,2]=4 19381 B11R0.3 CC=C=CCCOCCOCC 34a_100011020354_100000210147 [0,2,0,0,0,0|0,0,2]=4 19382 B11R0.3 CC=C=CCCOCCSCC 34a_100011020354_100000757381 [0,2,0,0,0,0|0,0,2]=4 19383 B11R0.3 CC=CCCCOC/C=C\CC 34a_100020645299_100103147603 [0,2,0,0,0,0|0,0,2]=4 19384 B11R0.3 CC=CCCCOCC#CCC 34a_100020645299_100009813939 [0,2,0,0,0,0|0,0,2]=4 19385 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [0,2,0,0,0,0|0,0,0]=2 19386 B11R0.3 CC=CCCCOCCCCF 34a_100020645299_100000729493 [0,2,0,0,0,0|0,0,1]=3 19387 B11R0.3 CC=CCCCOCCCCO 34a_100020645299_100011216708 [0,2,0,0,0,0|0,0,1]=3 19388 B11R0.3 CC=CCCCOCCCOC 34a_100020645299_100000740836 [0,2,0,0,0,0|0,0,1]=3 19389 B11R0.3 CC=CCCCOCCOCC 34a_100020645299_100000210147 [0,2,0,0,0,0|0,0,1]=3 19390 B11R0.3 CC=CCCCOCCSCC 34a_100020645299_100000757381 [0,2,0,0,0,0|0,0,1]=3 19391 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [0,2,0,0,0,0|1,0,1]=4 19392 B11R0.3 CC=CCNCCOCCOC 2230a_100000745349_100000070051 [0,2,0,0,0,0|1,0,1]=4 19393 B11R0.3 CC=CCNCCOCCOC 34a_100000745349_100000070051 [0,2,0,0,0,0|1,0,1]=4 19394 B11R0.3 CC=CCNCCSCCCC 2230a_100025743550_100000070051 [0,2,0,0,0,0|0,1,1]=4 19395 B11R0.3 CC=CCOC/C=C/CCCC 34a_200016272032_100000070051 [0,2,0,0,0,0|0,0,2]=4 19396 B11R0.3 CC=CCOC/C=C/CCCC 7a_200016272032_100000070051 [0,2,0,0,0,0|0,0,2]=4 19397 B11R0.3 CC=CCOCC#CCCCC 34a_200000034558_100000070051 [0,2,0,0,0,0|0,0,2]=4 19398 B11R0.3 CC=CCOCC#CCCCC 7a_200000034558_100000070051 [0,2,0,0,0,0|0,0,2]=4 19399 B11R0.3 CC=CCOCCC#CCCC 34a_100000042726_100000070051 [0,2,0,0,0,0|0,0,2]=4 19400 B11R0.3 CC=CCOCCC#CCCC 7a_100000042726_100000070051 [0,2,0,0,0,0|0,0,2]=4 19401 B11R0.3 CC=CCOCCC/C=C/CC 34a_100016287902_100000070051 [0,2,0,0,0,0|0,0,2]=4 19402 B11R0.3 CC=CCOCCC/C=C/CC 7a_100016287902_100000070051 [0,2,0,0,0,0|0,0,2]=4 19403 B11R0.3 CC=CCOCCCCCCBr 34a_100011215345_100000070051 [0,2,0,0,0,0|0,0,2]=4 19404 B11R0.3 CC=CCOCCCCCCBr 7a_100011215345_100000070051 [0,2,0,0,0,0|0,0,2]=4 19405 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [0,2,0,0,0,0|0,0,2]=4 19406 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [0,2,0,0,0,0|0,0,2]=4 19407 B11R0.3 CC=CCOCCCCCCCl 34a_100000766143_100000070051 [0,2,0,0,0,0|0,0,2]=4 19408 B11R0.3 CC=CCOCCCCCCCl 7a_100000766143_100000070051 [0,2,0,0,0,0|0,0,2]=4 19409 B11R0.3 CC=CCOCCCCCCF 34a_100000732779_100000070051 [0,2,0,0,0,0|0,0,2]=4 19410 B11R0.3 CC=CCOCCCCCCF 7a_100000732779_100000070051 [0,2,0,0,0,0|0,0,2]=4 19411 B11R0.3 CC=CCOCCCCCCN 34a_100000686447_100000070051 [0,2,0,0,0,0|0,0,2]=4 19412 B11R0.3 CC=CCOCCCCCNC 34a_100000722520_100000070051 [0,2,0,0,0,0|0,0,2]=4 19413 B11R0.3 CC=CCOCCOCCCC 34a_100000210238_100000070051 [0,2,0,0,0,0|0,0,1]=3 19414 B11R0.3 CC=CCOCCOCCCC 7a_100000210238_100000070051 [0,2,0,0,0,0|0,0,1]=3 19415 B11R0.3 CC=CCOCCOCCNC 34a_100000228057_100000070051 [0,2,0,0,0,0|0,0,2]=4 19416 B11R0.3 CC=CCOCCOCCOC 34a_100011215163_100000070051 [0,2,0,0,0,0|0,0,2]=4 19417 B11R0.3 CC=CCOCCOCCOC 7a_100011215163_100000070051 [0,2,0,0,0,0|0,0,2]=4 19418 B11R0.3 CC=CCOCCSCCCC 34a_200000230436_100000070051 [0,2,0,0,0,0|0,0,2]=4 19419 B11R0.3 CC=CCOCCSCCCC 7a_200000230436_100000070051 [0,2,0,0,0,0|0,0,2]=4 19420 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [0,2,0,0,0,0|1,0,1]=4 19421 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [0,2,0,0,0,0|1,0,1]=4 19422 B11R0.3 CC=CCSCCOCCCC 62a_100000070051_100000743108 [0,2,0,0,0,0|0,0,1]=3 19423 B11R0.3 CC=CCSCCOCCCC 62a_100000743108_100000070051 [0,2,0,0,0,0|0,0,1]=3 19424 B11R0.3 CC=CCSCCOCCOC 62a_100000070051_100000695917 [0,2,0,0,0,0|1,0,1]=4 19425 B11R0.3 CC=CCSCCOCCOC 62a_100000695917_100000070051 [0,2,0,0,0,0|1,0,1]=4 19426 B11R0.3 CCC#CCCCCCCNC 2230a_106832991635_200000036426 [0,2,0,0,0,0|1,0,1]=4 19427 B11R0.3 CCC#CCCCCCCNC 34a_100102657272_200000036426 [0,2,0,0,0,0|1,0,1]=4 19428 B11R0.3 CCC#CCCCCCCNC 7a_106832991635_200000036426 [0,2,0,0,0,0|1,0,1]=4 19429 B11R0.3 CCC#CCCCCCCOC 34a_100138415774_200000036426 [0,2,0,0,0,0|1,0,1]=4 19430 B11R0.3 CCC#CCCCCCCSC 62a_200000036426_200000210301 [0,2,0,0,0,0|1,0,1]=4 19431 B11R0.3 CCC#CCCCCCCSC 62a_200000210301_200000036426 [0,2,0,0,0,0|1,0,1]=4 19432 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200000036426_200025704644 [0,2,0,0,0,0|1,0,1]=4 19433 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200025704644_200000036426 [0,2,0,0,0,0|1,0,1]=4 19434 B11R0.3 CCC#CCCOC/C=C\CC 34a_100000036655_100103147603 [0,2,0,0,0,0|0,0,2]=4 19435 B11R0.3 CCC#CCCOC/C=C\CC 7a_100000036655_100103147603 [0,2,0,0,0,0|0,0,2]=4 19436 B11R0.3 CCC#CCCOCC#CCC 34a_100000036655_100009813939 [0,2,0,0,0,0|0,0,2]=4 19437 B11R0.3 CCC#CCCOCC#CCC 7a_100000036655_100009813939 [0,2,0,0,0,0|0,0,2]=4 19438 B11R0.3 CCC#CCCOCCCC#N 7a_100000036655_100000687738 [0,2,0,0,0,0|0,0,2]=4 19439 B11R0.3 CCC#CCCOCCCC=O 7a_100000036655_200011292268 [0,2,0,0,0,0|0,0,2]=4 19440 B11R0.3 CCC#CCCOCCCCC 34a_100000036655_100000718602 [0,2,0,0,0,0|0,0,0]=2 19441 B11R0.3 CCC#CCCOCCCCC 7a_100000036655_100000210326 [0,2,0,0,0,0|0,0,0]=2 19442 B11R0.3 CCC#CCCOCCCCF 34a_100000036655_100000729493 [0,2,0,0,0,0|0,0,1]=3 19443 B11R0.3 CCC#CCCOCCCCF 7a_100000036655_100000729493 [0,2,0,0,0,0|0,0,1]=3 19444 B11R0.3 CCC#CCCOCCCCO 34a_100000036655_100011216708 [0,2,0,0,0,0|0,0,1]=3 19445 B11R0.3 CCC#CCCOCCCCO 7a_100000036655_100000210776 [0,2,0,0,0,0|0,0,1]=3 19446 B11R0.3 CCC#CCCOCCCOC 34a_100000036655_100000740836 [0,2,0,0,0,0|0,0,1]=3 19447 B11R0.3 CCC#CCCOCCCOC 7a_100000036655_100000740836 [0,2,0,0,0,0|0,0,1]=3 19448 B11R0.3 CCC#CCCOCCOCC 34a_100000036655_100000210147 [0,2,0,0,0,0|0,0,1]=3 19449 B11R0.3 CCC#CCCOCCOCC 7a_100000036655_100011215890 [0,2,0,0,0,0|0,0,1]=3 19450 B11R0.3 CCC#CCCOCCSCC 34a_100000036655_100000757381 [0,2,0,0,0,0|0,0,1]=3 19451 B11R0.3 CCC#CCCOCCSCC 7a_100000036655_100000757381 [0,2,0,0,0,0|0,0,1]=3 19452 B11R0.3 CCC#CCNCCCCCC 2230a_100000210581_100009813939 [0,2,0,0,0,0|1,0,1]=4 19453 B11R0.3 CCC#CCNCCCCCO 2230a_100000762737_100009813939 [0,2,0,0,0,0|1,0,1]=4 19454 B11R0.3 CCC#CCNCCCCCO 34a_100000762737_100009813939 [0,2,0,0,0,0|1,0,1]=4 19455 B11R0.3 CCC#CCNCCCOCC 2230a_100000210961_100009813939 [0,2,0,0,0,0|1,0,1]=4 19456 B11R0.3 CCC#CCNCCCOCC 34a_100000210961_100009813939 [0,2,0,0,0,0|1,0,1]=4 19457 B11R0.3 CCC#CCNCCOCCC 2230a_100161115042_100009813939 [0,2,0,0,0,0|1,0,1]=4 19458 B11R0.3 CCC#CCNCCOCCC 34a_100161115042_100009813939 [0,2,0,0,0,0|1,0,1]=4 19459 B11R0.3 CCC#CCNCCSCCC 2230a_100020603323_100009813939 [0,2,0,0,0,0|1,0,1]=4 19460 B11R0.3 CCC#CCOC/C=C/CCC 34a_100016278788_100009813939 [0,2,0,0,0,0|0,0,2]=4 19461 B11R0.3 CCC#CCOC/C=C/CCC 7a_100016278788_100009813939 [0,2,0,0,0,0|0,0,2]=4 19462 B11R0.3 CCC#CCOCC#CCCC 34a_100000034806_100009813939 [0,2,0,0,0,0|0,0,2]=4 19463 B11R0.3 CCC#CCOCC#CCCC 7a_100000034806_100009813939 [0,2,0,0,0,0|0,0,2]=4 19464 B11R0.3 CCC#CCOCC/C=C\CC 34a_100000032950_100015370543 [0,2,0,0,0,0|0,0,2]=4 19465 B11R0.3 CCC#CCOCC/C=C\CC 34a_100016288707_100009813939 [0,2,0,0,0,0|0,0,2]=4 19466 B11R0.3 CCC#CCOCC/C=C\CC 7a_100016288707_100009813939 [0,2,0,0,0,0|0,0,2]=4 19467 B11R0.3 CCC#CCOCCCCCBr 34a_100000746331_100009813939 [0,2,0,0,0,0|0,0,1]=3 19468 B11R0.3 CCC#CCOCCCCCBr 7a_100000746331_100009813939 [0,2,0,0,0,0|0,0,1]=3 19469 B11R0.3 CCC#CCOCCCCCC 34a_100000032950_100000210314 [0,2,0,0,0,0|0,0,1]=3 19470 B11R0.3 CCC#CCOCCCCCC 34a_100000210259_100009813939 [0,2,0,0,0,0|0,0,1]=3 19471 B11R0.3 CCC#CCOCCCCCC 7a_100000210259_100009813939 [0,2,0,0,0,0|0,0,1]=3 19472 B11R0.3 CCC#CCOCCCCCCl 34a_100000746330_100009813939 [0,2,0,0,0,0|0,0,1]=3 19473 B11R0.3 CCC#CCOCCCCCCl 7a_100000746330_100009813939 [0,2,0,0,0,0|0,0,1]=3 19474 B11R0.3 CCC#CCOCCCCCF 34a_100000032950_100000729378 [0,2,0,0,0,0|0,0,1]=3 19475 B11R0.3 CCC#CCOCCCCCI 34a_200012148887_100009813939 [0,2,0,0,0,0|0,0,1]=3 19476 B11R0.3 CCC#CCOCCCCCI 7a_200012148887_100009813939 [0,2,0,0,0,0|0,0,1]=3 19477 B11R0.3 CCC#CCOCCCCCN 34a_100000762737_100009813939 [0,2,0,0,0,0|0,0,1]=3 19478 B11R0.3 CCC#CCOCCCCCO 34a_100000032950_100000746330 [0,2,0,0,0,0|0,0,1]=3 19479 B11R0.3 CCC#CCOCCCCOC 34a_100000032950_100000755781 [0,2,0,0,0,0|0,0,1]=3 19480 B11R0.3 CCC#CCOCCCCOC 34a_100000740925_100009813939 [0,2,0,0,0,0|0,0,1]=3 19481 B11R0.3 CCC#CCOCCCCSC 34a_100011217163_100009813939 [0,2,0,0,0,0|0,0,1]=3 19482 B11R0.3 CCC#CCOCCCCSC 7a_100011217163_100009813939 [0,2,0,0,0,0|0,0,1]=3 19483 B11R0.3 CCC#CCOCCCOCC 34a_100000032950_100012232248 [0,2,0,0,0,0|0,0,1]=3 19484 B11R0.3 CCC#CCOCCCOCC 34a_100000757476_100009813939 [0,2,0,0,0,0|0,0,1]=3 19485 B11R0.3 CCC#CCOCCCOCC 7a_100000757476_100009813939 [0,2,0,0,0,0|0,0,1]=3 19486 B11R0.3 CCC#CCOCCCSCC 34a_100011216438_100009813939 [0,2,0,0,0,0|0,0,1]=3 19487 B11R0.3 CCC#CCOCCCSCC 7a_100011216438_100009813939 [0,2,0,0,0,0|0,0,1]=3 19488 B11R0.3 CCC#CCOCCOCCBr 34a_100000692535_100009813939 [0,2,0,0,0,0|0,0,2]=4 19489 B11R0.3 CCC#CCOCCOCCBr 7a_100000692535_100009813939 [0,2,0,0,0,0|0,0,2]=4 19490 B11R0.3 CCC#CCOCCOCCC 34a_100000032950_100011215938 [0,2,0,0,0,0|0,0,1]=3 19491 B11R0.3 CCC#CCOCCOCCC 34a_100000752267_100009813939 [0,2,0,0,0,0|0,0,1]=3 19492 B11R0.3 CCC#CCOCCOCCC 7a_100000752267_100009813939 [0,2,0,0,0,0|0,0,1]=3 19493 B11R0.3 CCC#CCOCCOCCCl 34a_100011215305_100009813939 [0,2,0,0,0,0|0,0,2]=4 19494 B11R0.3 CCC#CCOCCOCCCl 7a_100011215305_100009813939 [0,2,0,0,0,0|0,0,2]=4 19495 B11R0.3 CCC#CCOCCOCCF 34a_200015357709_100009813939 [0,2,0,0,0,0|0,0,2]=4 19496 B11R0.3 CCC#CCOCCOCCF 7a_200015357709_100009813939 [0,2,0,0,0,0|0,0,2]=4 19497 B11R0.3 CCC#CCOCCOCCI 34a_100012149058_100009813939 [0,2,0,0,0,0|0,0,2]=4 19498 B11R0.3 CCC#CCOCCOCCI 7a_100012149058_100009813939 [0,2,0,0,0,0|0,0,2]=4 19499 B11R0.3 CCC#CCOCCOCCN 34a_100000211614_100009813939 [0,2,0,0,0,0|0,0,2]=4 19500 B11R0.3 CCC#CCOCCOCCO 34a_100000032950_100000692535 [0,2,0,0,0,0|0,0,2]=4 19501 B11R0.3 CCC#CCOCCSCCC 34a_200000230433_100009813939 [0,2,0,0,0,0|0,0,1]=3 19502 B11R0.3 CCC#CCOCCSCCC 7a_200000230433_100009813939 [0,2,0,0,0,0|0,0,1]=3 19503 B11R0.3 CCC#CCOCOCCCC 34a_100000032950_100011995733 [0,2,0,0,0,0|0,0,1]=3 19504 B11R0.3 CCC#CCSCCCCCC 62a_100000210314_100009813939 [0,2,0,0,0,0|0,1,1]=4 19505 B11R0.3 CCC#CCSCCCCCC 62a_100009813939_100000210757 [0,2,0,0,0,0|0,1,1]=4 19506 B11R0.3 CCC#CCSCCCCCF 62a_100000729378_100009813939 [0,2,0,0,0,0|0,1,1]=4 19507 B11R0.3 CCC#CCSCCCCCF 62a_100009813939_100000729378 [0,2,0,0,0,0|0,1,1]=4 19508 B11R0.3 CCC#CCSCCCCCO 62a_100000746330_100009813939 [0,2,0,0,0,0|0,1,1]=4 19509 B11R0.3 CCC#CCSCCCCCO 62a_100009813939_100000746330 [0,2,0,0,0,0|0,1,1]=4 19510 B11R0.3 CCC#CCSCCCCOC 62a_100000730899_100009813939 [0,2,0,0,0,0|0,1,1]=4 19511 B11R0.3 CCC#CCSCCCCOC 62a_100009813939_100000730899 [0,2,0,0,0,0|0,1,1]=4 19512 B11R0.3 CCC#CCSCCCOCC 62a_100009813939_100012232248 [0,2,0,0,0,0|0,1,1]=4 19513 B11R0.3 CCC#CCSCCCOCC 62a_100012232248_100009813939 [0,2,0,0,0,0|0,1,1]=4 19514 B11R0.3 CCC#CCSCCOCCC 62a_100009813939_100011215938 [0,2,0,0,0,0|0,1,1]=4 19515 B11R0.3 CCC#CCSCCOCCC 62a_100011215938_100009813939 [0,2,0,0,0,0|0,1,1]=4 19516 B11R0.3 CCC#CCSCOCCCC 62a_100009813939_100011995733 [0,2,0,0,0,0|0,0,1]=3 19517 B11R0.3 CCC#CCSCOCCCC 62a_100011995733_100009813939 [0,2,0,0,0,0|0,0,1]=3 19518 B11R0.3 CCC#CCSCOCCOC 62a_100000231047_100009813939 [0,2,0,0,0,0|1,0,1]=4 19519 B11R0.3 CCC#CCSCOCCOC 62a_100009813939_100000231047 [0,2,0,0,0,0|1,0,1]=4 19520 B11R0.3 CCC/C=C/COCCCC#N 7a_100016278788_100000687738 [0,2,0,0,0,0|0,0,2]=4 19521 B11R0.3 CCC/C=C/COCCCC=O 7a_100016278788_200011292268 [0,2,0,0,0,0|0,0,2]=4 19522 B11R0.3 CCC/C=C/COCCCCC 34a_100016278788_100000718602 [0,2,0,0,0,0|0,0,0]=2 19523 B11R0.3 CCC/C=C/COCCCCC 7a_100016278788_100000210326 [0,2,0,0,0,0|0,0,0]=2 19524 B11R0.3 CCC/C=C/COCCCCF 34a_100016278788_100000729493 [0,2,0,0,0,0|0,0,1]=3 19525 B11R0.3 CCC/C=C/COCCCCF 7a_100016278788_100000729493 [0,2,0,0,0,0|0,0,1]=3 19526 B11R0.3 CCC/C=C/COCCCCO 34a_100016278788_100011216708 [0,2,0,0,0,0|0,0,1]=3 19527 B11R0.3 CCC/C=C/COCCCCO 7a_100016278788_100000210776 [0,2,0,0,0,0|0,0,1]=3 19528 B11R0.3 CCC/C=C/COCCCOC 34a_100016278788_100000740836 [0,2,0,0,0,0|0,0,1]=3 19529 B11R0.3 CCC/C=C/COCCCOC 7a_100016278788_100000740836 [0,2,0,0,0,0|0,0,1]=3 19530 B11R0.3 CCC/C=C/COCCOCC 34a_100016278788_100000210147 [0,2,0,0,0,0|0,0,1]=3 19531 B11R0.3 CCC/C=C/COCCOCC 7a_100016278788_100011215890 [0,2,0,0,0,0|0,0,1]=3 19532 B11R0.3 CCC/C=C/COCCSCC 34a_100016278788_100000757381 [0,2,0,0,0,0|0,0,1]=3 19533 B11R0.3 CCC/C=C/COCCSCC 7a_100016278788_100000757381 [0,2,0,0,0,0|0,0,1]=3 19534 B11R0.3 CCCC#CCCOCCC#N 7a_100000042726_100000184422 [0,2,0,0,0,0|1,0,1]=4 19535 B11R0.3 CCCC#CCCOCCCC 34a_100000042726_100000210210 [0,2,0,0,0,0|0,0,0]=2 19536 B11R0.3 CCCC#CCCOCCCC 7a_100000042726_100000210211 [0,2,0,0,0,0|0,0,0]=2 19537 B11R0.3 CCCC#CCCOCCCF 34a_100000042726_100011934791 [0,2,0,0,0,0|1,0,0]=3 19538 B11R0.3 CCCC#CCCOCCCF 7a_100000042726_100011934791 [0,2,0,0,0,0|1,0,0]=3 19539 B11R0.3 CCCC#CCCOCCCO 34a_100000042726_100000230001 [0,2,0,0,0,0|1,0,0]=3 19540 B11R0.3 CCCC#CCCOCCCO 7a_100000042726_100011215043 [0,2,0,0,0,0|1,0,0]=3 19541 B11R0.3 CCCC#CCCOCCOC 34a_100000042726_100011201679 [0,2,0,0,0,0|1,0,0]=3 19542 B11R0.3 CCCC#CCCOCCOC 7a_100000042726_100000233755 [0,2,0,0,0,0|1,0,0]=3 19543 B11R0.3 CCCC#CCCOCCSC 34a_100000042726_100000212216 [0,2,0,0,0,0|1,0,0]=3 19544 B11R0.3 CCCC#CCCOCCSC 7a_100000042726_100000212216 [0,2,0,0,0,0|1,0,0]=3 19545 B11R0.3 CCCC#CCOCCCC#N 7a_100000034806_100000687738 [0,2,0,0,0,0|0,0,2]=4 19546 B11R0.3 CCCC#CCOCCCC=O 7a_100000034806_200011292268 [0,2,0,0,0,0|0,0,2]=4 19547 B11R0.3 CCCC#CCOCCCCC 34a_100000034806_100000718602 [0,2,0,0,0,0|0,0,0]=2 19548 B11R0.3 CCCC#CCOCCCCC 7a_100000034806_100000210326 [0,2,0,0,0,0|0,0,0]=2 19549 B11R0.3 CCCC#CCOCCCCF 34a_100000034806_100000729493 [0,2,0,0,0,0|0,0,1]=3 19550 B11R0.3 CCCC#CCOCCCCF 7a_100000034806_100000729493 [0,2,0,0,0,0|0,0,1]=3 19551 B11R0.3 CCCC#CCOCCCCO 34a_100000034806_100011216708 [0,2,0,0,0,0|0,0,1]=3 19552 B11R0.3 CCCC#CCOCCCCO 7a_100000034806_100000210776 [0,2,0,0,0,0|0,0,1]=3 19553 B11R0.3 CCCC#CCOCCCOC 34a_100000034806_100000740836 [0,2,0,0,0,0|0,0,1]=3 19554 B11R0.3 CCCC#CCOCCCOC 7a_100000034806_100000740836 [0,2,0,0,0,0|0,0,1]=3 19555 B11R0.3 CCCC#CCOCCOCC 34a_100000034806_100000210147 [0,2,0,0,0,0|0,0,1]=3 19556 B11R0.3 CCCC#CCOCCOCC 7a_100000034806_100011215890 [0,2,0,0,0,0|0,0,1]=3 19557 B11R0.3 CCCC#CCOCCSCC 34a_100000034806_100000757381 [0,2,0,0,0,0|0,0,1]=3 19558 B11R0.3 CCCC#CCOCCSCC 7a_100000034806_100000757381 [0,2,0,0,0,0|0,0,1]=3 19559 B11R0.3 CCCC/C=C/CCCCOC 34a_200020645093_200000210301 [0,2,0,0,0,0|1,0,0]=3 19560 B11R0.3 CCCC/C=C/CCCCOC 7a_200020645093_200000210301 [0,2,0,0,0,0|1,0,0]=3 19561 B11R0.3 CCCC/C=C/CCCCO[13CH3] 34a_200020645093_200025704644 [0,2,0,0,0,0|1,0,0]=3 19562 B11R0.3 CCCC/C=C/CCCCO[13CH3] 7a_200020645093_200025704644 [0,2,0,0,0,0|1,0,0]=3 19563 B11R0.3 CCCC/C=C/COCCC#N 7a_200016272032_100000184422 [0,2,0,0,0,0|1,0,1]=4 19564 B11R0.3 CCCC/C=C/COCCCC 34a_200016272032_100000210210 [0,2,0,0,0,0|0,0,0]=2 19565 B11R0.3 CCCC/C=C/COCCCC 7a_200016272032_100000210211 [0,2,0,0,0,0|0,0,0]=2 19566 B11R0.3 CCCC/C=C/COCCCF 34a_200016272032_100011934791 [0,2,0,0,0,0|1,0,0]=3 19567 B11R0.3 CCCC/C=C/COCCCF 7a_200016272032_100011934791 [0,2,0,0,0,0|1,0,0]=3 19568 B11R0.3 CCCC/C=C/COCCCO 34a_200016272032_100000230001 [0,2,0,0,0,0|1,0,0]=3 19569 B11R0.3 CCCC/C=C/COCCCO 7a_200016272032_100011215043 [0,2,0,0,0,0|1,0,0]=3 19570 B11R0.3 CCCC/C=C/COCCOC 34a_200016272032_100011201679 [0,2,0,0,0,0|1,0,0]=3 19571 B11R0.3 CCCC/C=C/COCCOC 7a_200016272032_100000233755 [0,2,0,0,0,0|1,0,0]=3 19572 B11R0.3 CCCC/C=C/COCCSC 34a_200016272032_100000212216 [0,2,0,0,0,0|1,0,0]=3 19573 B11R0.3 CCCC/C=C/COCCSC 7a_200016272032_100000212216 [0,2,0,0,0,0|1,0,0]=3 19574 B11R0.3 CCCC/C=C\CCOCCC 34a_200016286491_100000210303 [0,2,0,0,0,0|1,0,0]=3 19575 B11R0.3 CCCC/C=C\CCOCCC 7a_200016286491_100000210303 [0,2,0,0,0,0|1,0,0]=3 19576 B11R0.3 CCCC/C=C\CCOCCF 34a_200016286491_100011217306 [0,2,0,0,0,0|1,0,1]=4 19577 B11R0.3 CCCC/C=C\CCOCCF 7a_200016286491_100011217306 [0,2,0,0,0,0|1,0,1]=4 19578 B11R0.3 CCCC/C=C\CCOCCO 34a_200016286491_100000211926 [0,2,0,0,0,0|1,0,1]=4 19579 B11R0.3 CCCC/C=C\CCOCCO 7a_200016286491_100000211926 [0,2,0,0,0,0|1,0,1]=4 19580 B11R0.3 CCCC/C=C\CCOCSC 34a_200016286491_100011218213 [0,2,0,0,0,0|1,0,1]=4 19581 B11R0.3 CCCCC#CCCCCOC 34a_200000066234_200000210301 [0,2,0,0,0,0|1,0,0]=3 19582 B11R0.3 CCCCC#CCCCCOC 7a_200000066234_200000210301 [0,2,0,0,0,0|1,0,0]=3 19583 B11R0.3 CCCCC#CCCCCO[13CH3] 34a_200000066234_200025704644 [0,2,0,0,0,0|1,0,0]=3 19584 B11R0.3 CCCCC#CCCCCO[13CH3] 7a_200000066234_200025704644 [0,2,0,0,0,0|1,0,0]=3 19585 B11R0.3 CCCCC#CCCCNCC 2230a_100015525214_200000047210 [0,2,0,0,0,0|1,0,0]=3 19586 B11R0.3 CCCCC#CCCCOCC 34a_100121572206_200000047210 [0,2,0,0,0,0|1,0,0]=3 19587 B11R0.3 CCCCC#CCCCSCC 62a_100000210202_200000047210 [0,2,0,0,0,0|1,0,0]=3 19588 B11R0.3 CCCCC#CCCCSCC 62a_200000047210_100000210202 [0,2,0,0,0,0|1,0,0]=3 19589 B11R0.3 CCCCC#CCCCSCF 62a_100015361967_200000047210 [0,2,0,0,0,0|1,0,1]=4 19590 B11R0.3 CCCCC#CCCCSCF 62a_200000047210_100015361967 [0,2,0,0,0,0|1,0,1]=4 19591 B11R0.3 CCCCC#CCCOCCC 34a_100000037610_100000210303 [0,2,0,0,0,0|1,0,0]=3 19592 B11R0.3 CCCCC#CCCOCCC 7a_100000037610_100000210303 [0,2,0,0,0,0|1,0,0]=3 19593 B11R0.3 CCCCC#CCCOCCF 34a_100000037610_100011217306 [0,2,0,0,0,0|1,0,1]=4 19594 B11R0.3 CCCCC#CCCOCCF 7a_100000037610_100011217306 [0,2,0,0,0,0|1,0,1]=4 19595 B11R0.3 CCCCC#CCCOCCO 34a_100000037610_100000211926 [0,2,0,0,0,0|1,0,1]=4 19596 B11R0.3 CCCCC#CCCOCCO 7a_100000037610_100000211926 [0,2,0,0,0,0|1,0,1]=4 19597 B11R0.3 CCCCC#CCCOCSC 34a_100000037610_100011218213 [0,2,0,0,0,0|1,0,1]=4 19598 B11R0.3 CCCCC#CCOCCC#N 7a_200000034558_100000184422 [0,2,0,0,0,0|1,0,1]=4 19599 B11R0.3 CCCCC#CCOCCCC 34a_200000034558_100000210210 [0,2,0,0,0,0|0,0,0]=2 19600 B11R0.3 CCCCC#CCOCCCC 7a_200000034558_100000210211 [0,2,0,0,0,0|0,0,0]=2 19601 B11R0.3 CCCCC#CCOCCCF 34a_200000034558_100011934791 [0,2,0,0,0,0|1,0,0]=3 19602 B11R0.3 CCCCC#CCOCCCF 7a_200000034558_100011934791 [0,2,0,0,0,0|1,0,0]=3 19603 B11R0.3 CCCCC#CCOCCCO 34a_200000034558_100000230001 [0,2,0,0,0,0|1,0,0]=3 19604 B11R0.3 CCCCC#CCOCCCO 7a_200000034558_100011215043 [0,2,0,0,0,0|1,0,0]=3 19605 B11R0.3 CCCCC#CCOCCOC 34a_200000034558_100011201679 [0,2,0,0,0,0|1,0,0]=3 19606 B11R0.3 CCCCC#CCOCCOC 7a_200000034558_100000233755 [0,2,0,0,0,0|1,0,0]=3 19607 B11R0.3 CCCCC#CCOCCSC 34a_200000034558_100000212216 [0,2,0,0,0,0|1,0,0]=3 19608 B11R0.3 CCCCC#CCOCCSC 7a_200000034558_100000212216 [0,2,0,0,0,0|1,0,0]=3 19609 B11R0.3 CCCCC/C=C/COCCC 34a_100016258190_100000210303 [0,2,0,0,0,0|1,0,0]=3 19610 B11R0.3 CCCCC/C=C/COCCC 7a_100016258190_100000210303 [0,2,0,0,0,0|1,0,0]=3 19611 B11R0.3 CCCCC/C=C/COCCF 34a_100016258190_100011217306 [0,2,0,0,0,0|1,0,1]=4 19612 B11R0.3 CCCCC/C=C/COCCF 7a_100016258190_100011217306 [0,2,0,0,0,0|1,0,1]=4 19613 B11R0.3 CCCCC/C=C/COCCO 34a_100016258190_100000211926 [0,2,0,0,0,0|1,0,1]=4 19614 B11R0.3 CCCCC/C=C/COCCO 7a_100016258190_100000211926 [0,2,0,0,0,0|1,0,1]=4 19615 B11R0.3 CCCCC/C=C/COCSC 34a_100016258190_100011218213 [0,2,0,0,0,0|1,0,1]=4 19616 B11R0.3 CCCCC/C=C\CCCOC 34a_100020655193_200000210301 [0,2,0,0,0,0|1,0,0]=3 19617 B11R0.3 CCCCC/C=C\CCCOC 7a_100020655193_200000210301 [0,2,0,0,0,0|1,0,0]=3 19618 B11R0.3 CCCCC/C=C\CCCO[13CH3] 34a_100020655193_200025704644 [0,2,0,0,0,0|1,0,0]=3 19619 B11R0.3 CCCCC/C=C\CCCO[13CH3] 7a_100020655193_200025704644 [0,2,0,0,0,0|1,0,0]=3 19620 B11R0.3 CCCCC/C=C\CCOCC 34a_100016277358_100000210202 [0,2,0,0,0,0|1,0,0]=3 19621 B11R0.3 CCCCC/C=C\CCOCC 7a_100016277358_100000210202 [0,2,0,0,0,0|1,0,0]=3 19622 B11R0.3 CCCCC/C=C\CCOCF 34a_100016277358_100015361967 [0,2,0,0,0,0|1,0,1]=4 19623 B11R0.3 CCCCC/C=C\CCOCF 7a_100016277358_100015361967 [0,2,0,0,0,0|1,0,1]=4 19624 B11R0.3 CCCCC=NNCCCCC 4a_100000694160_100000210104 [0,2,0,0,0,0|1,0,0]=3 19625 B11R0.3 CCCCC=NNCCOCC 4a_100000732670_100000210104 [0,2,0,0,0,0|1,0,1]=4 19626 B11R0.3 CCCCCC#CCCOCC 34a_200000042877_100000210202 [0,2,0,0,0,0|1,0,0]=3 19627 B11R0.3 CCCCCC#CCCOCC 7a_200000042877_100000210202 [0,2,0,0,0,0|1,0,0]=3 19628 B11R0.3 CCCCCC#CCCOCF 34a_200000042877_100015361967 [0,2,0,0,0,0|1,0,1]=4 19629 B11R0.3 CCCCCC#CCCOCF 7a_200000042877_100015361967 [0,2,0,0,0,0|1,0,1]=4 19630 B11R0.3 CCCCCC#CCNCCF 34a_100000724931_100009816472 [0,2,0,0,0,0|1,0,1]=4 19631 B11R0.3 CCCCCC#CCNCCO 2230a_100016997473_100009816472 [0,2,0,0,0,0|1,0,1]=4 19632 B11R0.3 CCCCCC#CCNCCO 34a_100016990907_100009816472 [0,2,0,0,0,0|1,0,1]=4 19633 B11R0.3 CCCCCC#CCOCCBr 34a_100000211926_100009816472 [0,2,0,0,0,0|1,0,1]=4 19634 B11R0.3 CCCCCC#CCOCCC 34a_100000210258_100009816472 [0,2,0,0,0,0|1,0,0]=3 19635 B11R0.3 CCCCCC#CCOCCC 34a_200000033628_100000210303 [0,2,0,0,0,0|1,0,0]=3 19636 B11R0.3 CCCCCC#CCOCCC 7a_200000033628_100000210303 [0,2,0,0,0,0|1,0,0]=3 19637 B11R0.3 CCCCCC#CCOCCF 34a_200000033628_100011217306 [0,2,0,0,0,0|1,0,1]=4 19638 B11R0.3 CCCCCC#CCOCCF 7a_200000033628_100011217306 [0,2,0,0,0,0|1,0,1]=4 19639 B11R0.3 CCCCCC#CCOCCN 34a_100000210304_100009816472 [0,2,0,0,0,0|1,0,1]=4 19640 B11R0.3 CCCCCC#CCOCCO 34a_200000033628_100000211926 [0,2,0,0,0,0|1,0,1]=4 19641 B11R0.3 CCCCCC#CCOCCO 7a_200000033628_100000211926 [0,2,0,0,0,0|1,0,1]=4 19642 B11R0.3 CCCCCC#CCOCSC 34a_200000033628_100011218213 [0,2,0,0,0,0|1,0,1]=4 19643 B11R0.3 CCCCCC#CCSCCC 62a_100000210303_100009816472 [0,2,0,0,0,0|1,0,0]=3 19644 B11R0.3 CCCCCC#CCSCCC 62a_100009816472_100000210303 [0,2,0,0,0,0|1,0,0]=3 19645 B11R0.3 CCCCCC#CCSCCF 62a_100009816472_100011217306 [0,2,0,0,0,0|1,0,1]=4 19646 B11R0.3 CCCCCC#CCSCCF 62a_100011217306_100009816472 [0,2,0,0,0,0|1,0,1]=4 19647 B11R0.3 CCCCCC#CCSCCO 62a_100000211926_100009816472 [0,2,0,0,0,0|1,0,1]=4 19648 B11R0.3 CCCCCC#CCSCCO 62a_100009816472_100000211926 [0,2,0,0,0,0|1,0,1]=4 19649 B11R0.3 CCCCCC#CCSCOC 62a_100000766300_100009816472 [0,2,0,0,0,0|1,0,1]=4 19650 B11R0.3 CCCCCC#CCSCOC 62a_100009816472_100000766300 [0,2,0,0,0,0|1,0,1]=4 19651 B11R0.3 CCCCCC#CCSCSC 62a_100009816472_100011218213 [0,2,0,0,0,0|1,0,1]=4 19652 B11R0.3 CCCCCC#CCSCSC 62a_100011218213_100009816472 [0,2,0,0,0,0|1,0,1]=4 19653 B11R0.3 CCCCCC/C=C/COCC 34a_200016276170_100000210202 [0,2,0,0,0,0|1,0,1]=4 19654 B11R0.3 CCCCCC/C=C/COCC 7a_200016276170_100000210202 [0,2,0,0,0,0|1,0,1]=4 19655 B11R0.3 CCCCCC=NNCCCC 4a_100025702795_100000737632 [0,2,0,0,0,0|1,0,0]=3 19656 B11R0.3 CCCCCCC#CCCOC 34a_200000033163_200000210301 [0,2,0,0,0,0|1,0,1]=4 19657 B11R0.3 CCCCCCC#CCCOC 7a_200000033163_200000210301 [0,2,0,0,0,0|1,0,1]=4 19658 B11R0.3 CCCCCCC#CCCO[13CH3] 34a_200000033163_200025704644 [0,2,0,0,0,0|1,0,1]=4 19659 B11R0.3 CCCCCCC#CCCO[13CH3] 7a_200000033163_200025704644 [0,2,0,0,0,0|1,0,1]=4 19660 B11R0.3 CCCCCCC#CCOCC 34a_200000037284_100000210202 [0,2,0,0,0,0|1,0,1]=4 19661 B11R0.3 CCCCCCC#CCOCC 7a_200000037284_100000210202 [0,2,0,0,0,0|1,0,1]=4 19662 B11R0.3 CCCCCCC=NNCCC 4a_100000740057_100000234349 [0,2,0,0,0,0|1,0,1]=4 19663 B11R0.3 CCCCCCCC#CCOC 34a_200000061759_200000210301 [0,2,0,0,0,0|1,0,1]=4 19664 B11R0.3 CCCCCCCC#CCOC 7a_200000061759_200000210301 [0,2,0,0,0,0|1,0,1]=4 19665 B11R0.3 CCCCCCCC#CCO[13CH3] 34a_200000061759_200025704644 [0,2,0,0,0,0|1,0,1]=4 19666 B11R0.3 CCCCCCCC#CCO[13CH3] 7a_200000061759_200025704644 [0,2,0,0,0,0|1,0,1]=4 19667 B11R0.3 CCCCCCCC=NNCC 4a_100000756455_100000210592 [0,2,0,0,0,0|1,0,1]=4 19668 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [0,2,0,0,0,0|1,0,0]=3 19669 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [0,2,0,0,0,0|1,0,0]=3 19670 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [0,2,0,0,0,0|1,0,0]=3 19671 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [0,2,0,0,0,0|1,0,0]=3 19672 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [0,2,0,0,0,0|1,0,0]=3 19673 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [0,2,0,0,0,0|1,0,0]=3 19674 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [0,2,0,0,0,0|1,0,0]=3 19675 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [0,2,0,0,0,0|1,0,0]=3 19676 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [0,2,0,0,0,0|1,0,0]=3 19677 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [0,2,0,0,0,0|1,0,0]=3 19678 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [0,2,0,0,0,0|1,0,0]=3 19679 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [0,2,0,0,0,0|1,0,0]=3 19680 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [0,2,0,0,0,0|1,0,0]=3 19681 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [0,2,0,0,0,0|1,0,0]=3 19682 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [0,2,0,0,0,0|1,0,0]=3 19683 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [0,2,0,0,0,0|1,0,0]=3 19684 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [0,2,0,0,0,0|1,0,0]=3 19685 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [0,2,0,0,0,0|1,0,0]=3 19686 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [0,2,0,0,0,0|1,0,0]=3 19687 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [0,2,0,0,0,0|1,0,0]=3 19688 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [0,2,0,0,0,0|1,0,0]=3 19689 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [0,2,0,0,0,0|1,0,0]=3 19690 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [0,2,0,0,0,0|1,0,0]=3 19691 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [0,2,0,0,0,0|1,0,0]=3 19692 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [0,2,0,0,0,0|1,0,0]=3 19693 B11R0.3 CCCCCCCCNCC#N 2230a_100000229939_100011215382 [0,2,0,0,0,0|1,0,1]=4 19694 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [0,2,0,0,0,0|1,0,1]=4 19695 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [0,2,0,0,0,0|1,0,1]=4 19696 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [0,2,0,0,0,0|1,0,0]=3 19697 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [0,2,0,0,0,0|1,0,0]=3 19698 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [0,2,0,0,0,0|1,0,0]=3 19699 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [0,2,0,0,0,0|1,0,0]=3 19700 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [0,2,0,0,0,0|1,0,0]=3 19701 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [0,2,0,0,0,0|1,0,0]=3 19702 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [0,2,0,0,0,0|1,0,0]=3 19703 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [0,2,0,0,0,0|1,0,0]=3 19704 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [0,2,0,0,0,0|1,0,0]=3 19705 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [0,2,0,0,0,0|1,0,0]=3 19706 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [0,2,0,0,0,0|1,0,0]=3 19707 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [0,2,0,0,0,0|1,0,0]=3 19708 B11R0.3 CCCCCCCCOCC#N 7a_100000210232_100011215382 [0,2,0,0,0,0|1,0,1]=4 19709 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [0,2,0,0,0,0|1,0,1]=4 19710 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [0,2,0,0,0,0|1,0,1]=4 19711 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [0,2,0,0,0,0|1,0,0]=3 19712 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [0,2,0,0,0,0|1,0,0]=3 19713 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [0,2,0,0,0,0|1,0,0]=3 19714 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [0,2,0,0,0,0|1,0,0]=3 19715 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [0,2,0,0,0,0|1,0,0]=3 19716 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [0,2,0,0,0,0|1,0,0]=3 19717 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [0,2,0,0,0,0|1,0,0]=3 19718 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [0,2,0,0,0,0|1,0,0]=3 19719 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [0,2,0,0,0,0|1,0,0]=3 19720 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [0,2,0,0,0,0|1,0,0]=3 19721 B11R0.3 CCCCCCCCSCC#N 62a_100000210759_100011215382 [0,2,0,0,0,0|1,0,1]=4 19722 B11R0.3 CCCCCCCCSCC#N 62a_100011215382_100000210317 [0,2,0,0,0,0|1,0,1]=4 19723 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [0,2,0,0,0,0|1,0,1]=4 19724 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [0,2,0,0,0,0|1,0,1]=4 19725 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [0,2,0,0,0,0|1,0,0]=3 19726 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [0,2,0,0,0,0|1,0,0]=3 19727 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [0,2,0,0,0,0|1,0,0]=3 19728 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [0,2,0,0,0,0|1,0,0]=3 19729 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [0,2,0,0,0,0|1,0,0]=3 19730 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [0,2,0,0,0,0|1,0,0]=3 19731 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [0,2,0,0,0,0|1,0,0]=3 19732 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [0,2,0,0,0,0|1,0,0]=3 19733 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [0,2,0,0,0,0|1,0,0]=3 19734 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [0,2,0,0,0,0|1,0,0]=3 19735 B11R0.3 CCCCCCCNCCC#N 2230a_100000229938_100011215226 [0,2,0,0,0,0|1,0,1]=4 19736 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [0,2,0,0,0,0|1,0,0]=3 19737 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [0,2,0,0,0,0|1,0,0]=3 19738 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [0,2,0,0,0,0|1,0,0]=3 19739 B11R0.3 CCCCCCCNCCCF 2230a_100000229938_100011934791 [0,2,0,0,0,0|1,0,0]=3 19740 B11R0.3 CCCCCCCNCCCF 2230a_100015189416_100000210681 [0,2,0,0,0,0|1,0,0]=3 19741 B11R0.3 CCCCCCCNCCCF 34a_100015189416_100000210614 [0,2,0,0,0,0|1,0,0]=3 19742 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [0,2,0,0,0,0|1,0,0]=3 19743 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [0,2,0,0,0,0|1,0,0]=3 19744 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [0,2,0,0,0,0|1,0,0]=3 19745 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [0,2,0,0,0,0|1,0,0]=3 19746 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [0,2,0,0,0,0|1,0,0]=3 19747 B11R0.3 CCCCCCCOCCC#N 7a_100000210272_100000184422 [0,2,0,0,0,0|1,0,1]=4 19748 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [0,2,0,0,0,0|1,0,0]=3 19749 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [0,2,0,0,0,0|0,0,0]=2 19750 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [0,2,0,0,0,0|0,0,0]=2 19751 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [0,2,0,0,0,0|0,0,0]=2 19752 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [0,2,0,0,0,0|0,0,0]=2 19753 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [0,2,0,0,0,0|1,0,0]=3 19754 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [0,2,0,0,0,0|1,0,0]=3 19755 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [0,2,0,0,0,0|1,0,0]=3 19756 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [0,2,0,0,0,0|1,0,0]=3 19757 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [0,2,0,0,0,0|1,0,0]=3 19758 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [0,2,0,0,0,0|1,0,0]=3 19759 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [0,2,0,0,0,0|1,0,0]=3 19760 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [0,2,0,0,0,0|1,0,0]=3 19761 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [0,2,0,0,0,0|1,0,0]=3 19762 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [0,2,0,0,0,0|1,0,0]=3 19763 B11R0.3 CCCCCCCOCCON 34a_100000700252_100000210614 [0,2,0,0,0,0|2,0,0]=4 19764 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [0,2,0,0,0,0|1,0,0]=3 19765 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [0,2,0,0,0,0|1,0,0]=3 19766 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [0,2,0,0,0,0|1,0,0]=3 19767 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [0,2,0,0,0,0|1,0,0]=3 19768 B11R0.3 CCCCCCCSCCC#N 62a_100000210614_100011215226 [0,2,0,0,0,0|1,0,1]=4 19769 B11R0.3 CCCCCCCSCCC#N 62a_100011215226_100000210316 [0,2,0,0,0,0|1,0,1]=4 19770 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [0,2,0,0,0,0|0,1,0]=3 19771 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [0,2,0,0,0,0|0,1,0]=3 19772 B11R0.3 CCCCCCCSCCCF 62a_100000210614_100011934791 [0,2,0,0,0,0|1,0,0]=3 19773 B11R0.3 CCCCCCCSCCCF 62a_100011934791_100000210316 [0,2,0,0,0,0|1,0,0]=3 19774 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [0,2,0,0,0,0|1,0,0]=3 19775 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [0,2,0,0,0,0|1,0,0]=3 19776 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [0,2,0,0,0,0|1,0,0]=3 19777 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [0,2,0,0,0,0|1,0,0]=3 19778 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [0,2,0,0,0,0|1,0,0]=3 19779 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [0,2,0,0,0,0|1,0,0]=3 19780 B11R0.3 CCCCCCCSCOCC 62a_100000210614_100000739092 [0,2,0,0,0,0|1,0,0]=3 19781 B11R0.3 CCCCCCCSCOCC 62a_100000739092_100000210316 [0,2,0,0,0,0|1,0,0]=3 19782 B11R0.3 CCCCCCNCCCC#N 2230a_100000210581_100000687738 [0,2,0,0,0,0|1,0,1]=4 19783 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [0,2,0,0,0,0|1,0,1]=4 19784 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [0,2,0,0,0,0|1,0,0]=3 19785 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [0,2,0,0,0,0|1,0,0]=3 19786 B11R0.3 CCCCCCNCCCCF 2230a_100000210581_100000729493 [0,2,0,0,0,0|1,0,0]=3 19787 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [0,2,0,0,0,0|1,0,0]=3 19788 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [0,2,0,0,0,0|1,0,0]=3 19789 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [0,2,0,0,0,0|1,0,0]=3 19790 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [0,2,0,0,0,0|1,0,0]=3 19791 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [0,2,0,0,0,0|1,0,0]=3 19792 B11R0.3 CCCCCCNCCCSC 2230a_100000749238_100000210314 [0,2,0,0,0,0|1,0,0]=3 19793 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [0,2,0,0,0,0|1,0,0]=3 19794 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [0,2,0,0,0,0|1,0,0]=3 19795 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [0,2,0,0,0,0|1,0,0]=3 19796 B11R0.3 CCCCCCNCCSCC 2230a_100000106463_100000210314 [0,2,0,0,0,0|1,0,0]=3 19797 B11R0.3 CCCCCCNCCSCC 2230a_100000210581_100000757381 [0,2,0,0,0,0|1,0,0]=3 19798 B11R0.3 CCCCCCOCC#CCCl 34a_200000047223_100000210314 [0,2,0,0,0,0|0,0,2]=4 19799 B11R0.3 CCCCCCOCC#CCO 34a_100000210259_200000047223 [0,2,0,0,0,0|0,0,2]=4 19800 B11R0.3 CCCCCCOCC#CCO 7a_100000210259_200000047223 [0,2,0,0,0,0|0,0,2]=4 19801 B11R0.3 CCCCCCOCCCC#N 7a_100000210259_100000687738 [0,2,0,0,0,0|0,0,1]=3 19802 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [0,2,0,0,0,0|0,0,1]=3 19803 B11R0.3 CCCCCCOCCCCBr 34a_100011216708_100000210314 [0,2,0,0,0,0|0,0,0]=2 19804 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [0,2,0,0,0,0|0,0,0]=2 19805 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [0,2,0,0,0,0|0,0,0]=2 19806 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [0,2,0,0,0,0|0,0,0]=2 19807 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [0,2,0,0,0,0|0,0,0]=2 19808 B11R0.3 CCCCCCOCCCCCl 34a_100000210776_100000210314 [0,2,0,0,0,0|0,0,0]=2 19809 B11R0.3 CCCCCCOCCCCCl 7a_100000210776_100000210314 [0,2,0,0,0,0|0,0,0]=2 19810 B11R0.3 CCCCCCOCCCCF 34a_100000210259_100000729493 [0,2,0,0,0,0|0,0,0]=2 19811 B11R0.3 CCCCCCOCCCCF 34a_100011995726_100000210314 [0,2,0,0,0,0|0,0,0]=2 19812 B11R0.3 CCCCCCOCCCCF 7a_100000210259_100000729493 [0,2,0,0,0,0|0,0,0]=2 19813 B11R0.3 CCCCCCOCCCCF 7a_100011995726_100000210314 [0,2,0,0,0,0|0,0,0]=2 19814 B11R0.3 CCCCCCOCCCCI 34a_200012148704_100000210314 [0,2,0,0,0,0|0,0,0]=2 19815 B11R0.3 CCCCCCOCCCCN 34a_100000750430_100000210314 [0,2,0,0,0,0|0,0,0]=2 19816 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [0,2,0,0,0,0|0,0,0]=2 19817 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [0,2,0,0,0,0|0,0,0]=2 19818 B11R0.3 CCCCCCOCCCNC 34a_100000213112_100000210314 [0,2,0,0,0,0|0,0,0]=2 19819 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [0,2,0,0,0,0|0,0,0]=2 19820 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [0,2,0,0,0,0|0,0,0]=2 19821 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [0,2,0,0,0,0|0,0,0]=2 19822 B11R0.3 CCCCCCOCCCSC 34a_100000690336_100000210314 [0,2,0,0,0,0|0,0,0]=2 19823 B11R0.3 CCCCCCOCCCSC 7a_100000690336_100000210314 [0,2,0,0,0,0|0,0,0]=2 19824 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [0,2,0,0,0,0|0,0,0]=2 19825 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [0,2,0,0,0,0|0,0,0]=2 19826 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [0,2,0,0,0,0|0,0,0]=2 19827 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [0,2,0,0,0,0|0,0,0]=2 19828 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [0,2,0,0,0,0|0,0,0]=2 19829 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [0,2,0,0,0,0|0,0,0]=2 19830 B11R0.3 CCCCCCOCCOCF 34a_100000691444_100015361967 [0,2,0,0,0,0|1,0,0]=3 19831 B11R0.3 CCCCCCOCCOCF 7a_100000691444_100015361967 [0,2,0,0,0,0|1,0,0]=3 19832 B11R0.3 CCCCCCOCCSCC 34a_100000210259_100000757381 [0,2,0,0,0,0|0,0,0]=2 19833 B11R0.3 CCCCCCOCCSCC 34a_100000212035_100000210314 [0,2,0,0,0,0|0,0,0]=2 19834 B11R0.3 CCCCCCOCCSCC 7a_100000210259_100000757381 [0,2,0,0,0,0|0,0,0]=2 19835 B11R0.3 CCCCCCOCCSCC 7a_100000212035_100000210314 [0,2,0,0,0,0|0,0,0]=2 19836 B11R0.3 CCCCCCSCCCC#N 62a_100000210314_100000687738 [0,2,0,0,0,0|0,1,1]=4 19837 B11R0.3 CCCCCCSCCCC#N 62a_100000687738_100000210757 [0,2,0,0,0,0|0,1,1]=4 19838 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [0,2,0,0,0,0|0,1,1]=4 19839 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [0,2,0,0,0,0|0,1,1]=4 19840 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [0,2,0,0,0,0|0,1,0]=3 19841 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [0,2,0,0,0,0|0,1,0]=3 19842 B11R0.3 CCCCCCSCCCCF 62a_100000210314_100000729493 [0,2,0,0,0,0|0,1,0]=3 19843 B11R0.3 CCCCCCSCCCCF 62a_100000729493_100000210757 [0,2,0,0,0,0|0,1,0]=3 19844 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [0,2,0,0,0,0|0,1,0]=3 19845 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [0,2,0,0,0,0|0,1,0]=3 19846 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [0,2,0,0,0,0|0,1,0]=3 19847 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [0,2,0,0,0,0|0,1,0]=3 19848 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [0,2,0,0,0,0|0,1,0]=3 19849 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [0,2,0,0,0,0|0,1,0]=3 19850 B11R0.3 CCCCCCSCCSCC 62a_100000210314_100000757381 [0,2,0,0,0,0|0,1,0]=3 19851 B11R0.3 CCCCCCSCCSCC 62a_100000757381_100000210757 [0,2,0,0,0,0|0,1,0]=3 19852 B11R0.3 CCCCCNCCCCC#N 2230a_100000209983_100000211819 [0,2,0,0,0,0|1,0,0]=3 19853 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [0,2,0,0,0,0|1,0,0]=3 19854 B11R0.3 CCCCCNCCCCCF 2230a_100000209983_100000729378 [0,2,0,0,0,0|1,0,0]=3 19855 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [0,2,0,0,0,0|1,0,0]=3 19856 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [0,2,0,0,0,0|1,0,0]=3 19857 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [0,2,0,0,0,0|1,0,0]=3 19858 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [0,2,0,0,0,0|1,0,0]=3 19859 B11R0.3 CCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210326 [0,2,0,0,0,0|2,0,0]=4 19860 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [0,2,0,0,0,0|1,0,0]=3 19861 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [0,2,0,0,0,0|1,0,0]=3 19862 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [0,2,0,0,0,0|1,0,0]=3 19863 B11R0.3 CCCCCNCCOCC#N 2230a_100000209983_200000047693 [0,2,0,0,0,0|1,0,1]=4 19864 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [0,2,0,0,0,0|1,0,1]=4 19865 B11R0.3 CCCCCNCCOCCC 2230a_100000209983_100011215938 [0,2,0,0,0,0|1,0,0]=3 19866 B11R0.3 CCCCCNCCOCCC 2230a_100161115042_100000210326 [0,2,0,0,0,0|1,0,0]=3 19867 B11R0.3 CCCCCNCCOCCC 34a_100000224656_100000210303 [0,2,0,0,0,0|1,0,0]=3 19868 B11R0.3 CCCCCNCCOCCC 34a_100161115042_100000718602 [0,2,0,0,0,0|1,0,0]=3 19869 B11R0.3 CCCCCNCCOCCF 34a_100000224656_100011217306 [0,2,0,0,0,0|1,0,0]=3 19870 B11R0.3 CCCCCNCCOCCO 2230a_100000209983_100011215305 [0,2,0,0,0,0|1,0,0]=3 19871 B11R0.3 CCCCCNCCOCCO 2230a_100000211614_100000210326 [0,2,0,0,0,0|1,0,0]=3 19872 B11R0.3 CCCCCNCCOCCO 34a_100000211614_100000718602 [0,2,0,0,0,0|1,0,0]=3 19873 B11R0.3 CCCCCNCCOCCO 34a_100000224656_100000211926 [0,2,0,0,0,0|1,0,0]=3 19874 B11R0.3 CCCCCNCCOCSC 34a_100000224656_100011218213 [0,2,0,0,0,0|1,0,0]=3 19875 B11R0.3 CCCCCNCCSCCC 2230a_100020603323_100000210326 [0,2,0,0,0,0|1,0,0]=3 19876 B11R0.3 CCCCCNCCSCCO 2230a_100011219999_100000210326 [0,2,0,0,0,0|1,0,0]=3 19877 B11R0.3 CCCCCNCOCCCC 2230a_100000209983_100011995733 [0,2,0,0,0,0|0,0,0]=2 19878 B11R0.3 CCCCCNCOCCOC 2230a_100000209983_100000231047 [0,2,0,0,0,0|1,0,0]=3 19879 B11R0.3 CCCCCNN=CCCSC 4a_100000694160_100000210997 [0,2,0,0,0,0|1,0,1]=4 19880 B11R0.3 CCCCCOCCCCC#N 7a_100000210253_100000211819 [0,2,0,0,0,0|0,0,0]=2 19881 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [0,2,0,0,0,0|0,0,0]=2 19882 B11R0.3 CCCCCOCCCCCBr 34a_100000746331_100000718602 [0,2,0,0,0,0|0,0,0]=2 19883 B11R0.3 CCCCCOCCCCCBr 7a_100000746331_100000210326 [0,2,0,0,0,0|0,0,0]=2 19884 B11R0.3 CCCCCOCCCCCCl 34a_100000746330_100000718602 [0,2,0,0,0,0|0,0,0]=2 19885 B11R0.3 CCCCCOCCCCCCl 7a_100000746330_100000210326 [0,2,0,0,0,0|0,0,0]=2 19886 B11R0.3 CCCCCOCCCCCF 34a_100000210253_100000729378 [0,2,0,0,0,0|0,0,0]=2 19887 B11R0.3 CCCCCOCCCCCF 7a_100000210253_100000729378 [0,2,0,0,0,0|0,0,0]=2 19888 B11R0.3 CCCCCOCCCCCI 34a_200012148887_100000718602 [0,2,0,0,0,0|0,0,0]=2 19889 B11R0.3 CCCCCOCCCCCI 7a_200012148887_100000210326 [0,2,0,0,0,0|0,0,0]=2 19890 B11R0.3 CCCCCOCCCCCN 34a_100000762737_100000718602 [0,2,0,0,0,0|0,0,0]=2 19891 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [0,2,0,0,0,0|0,0,0]=2 19892 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [0,2,0,0,0,0|0,0,0]=2 19893 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [0,2,0,0,0,0|0,0,0]=2 19894 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [0,2,0,0,0,0|0,0,0]=2 19895 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [0,2,0,0,0,0|0,0,0]=2 19896 B11R0.3 CCCCCOCCCCSC 34a_100011217163_100000718602 [0,2,0,0,0,0|0,0,0]=2 19897 B11R0.3 CCCCCOCCCCSC 7a_100011217163_100000210326 [0,2,0,0,0,0|0,0,0]=2 19898 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [0,2,0,0,0,0|0,0,0]=2 19899 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [0,2,0,0,0,0|0,0,0]=2 19900 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [0,2,0,0,0,0|0,0,0]=2 19901 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [0,2,0,0,0,0|0,0,0]=2 19902 B11R0.3 CCCCCOCCCSCC 34a_100011216438_100000718602 [0,2,0,0,0,0|0,0,0]=2 19903 B11R0.3 CCCCCOCCCSCC 7a_100011216438_100000210326 [0,2,0,0,0,0|0,0,0]=2 19904 B11R0.3 CCCCCOCCOCC#N 7a_100000210253_200000047693 [0,2,0,0,0,0|0,0,1]=3 19905 B11R0.3 CCCCCOCCOCC#N 7a_100011215259_100011215382 [0,2,0,0,0,0|0,0,1]=3 19906 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [0,2,0,0,0,0|0,0,1]=3 19907 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [0,2,0,0,0,0|0,0,1]=3 19908 B11R0.3 CCCCCOCCOCCBr 34a_100000692535_100000718602 [0,2,0,0,0,0|0,0,0]=2 19909 B11R0.3 CCCCCOCCOCCBr 7a_100000692535_100000210326 [0,2,0,0,0,0|0,0,0]=2 19910 B11R0.3 CCCCCOCCOCCC 34a_100000210253_100011215938 [0,2,0,0,0,0|0,0,0]=2 19911 B11R0.3 CCCCCOCCOCCC 34a_100000752267_100000718602 [0,2,0,0,0,0|0,0,0]=2 19912 B11R0.3 CCCCCOCCOCCC 34a_100011215259_100000210303 [0,2,0,0,0,0|0,0,0]=2 19913 B11R0.3 CCCCCOCCOCCC 7a_100000210253_100011215938 [0,2,0,0,0,0|0,0,0]=2 19914 B11R0.3 CCCCCOCCOCCC 7a_100000752267_100000210326 [0,2,0,0,0,0|0,0,0]=2 19915 B11R0.3 CCCCCOCCOCCC 7a_100011215259_100000210303 [0,2,0,0,0,0|0,0,0]=2 19916 B11R0.3 CCCCCOCCOCCCl 34a_100011215305_100000718602 [0,2,0,0,0,0|0,0,0]=2 19917 B11R0.3 CCCCCOCCOCCCl 7a_100011215305_100000210326 [0,2,0,0,0,0|0,0,0]=2 19918 B11R0.3 CCCCCOCCOCCF 34a_100011215259_100011217306 [0,2,0,0,0,0|0,0,0]=2 19919 B11R0.3 CCCCCOCCOCCF 34a_200015357709_100000718602 [0,2,0,0,0,0|0,0,0]=2 19920 B11R0.3 CCCCCOCCOCCF 7a_100011215259_100011217306 [0,2,0,0,0,0|0,0,0]=2 19921 B11R0.3 CCCCCOCCOCCF 7a_200015357709_100000210326 [0,2,0,0,0,0|0,0,0]=2 19922 B11R0.3 CCCCCOCCOCCI 34a_100012149058_100000718602 [0,2,0,0,0,0|0,0,0]=2 19923 B11R0.3 CCCCCOCCOCCI 7a_100012149058_100000210326 [0,2,0,0,0,0|0,0,0]=2 19924 B11R0.3 CCCCCOCCOCCN 34a_100000211614_100000718602 [0,2,0,0,0,0|0,0,0]=2 19925 B11R0.3 CCCCCOCCOCCO 34a_100000210253_100000692535 [0,2,0,0,0,0|0,0,0]=2 19926 B11R0.3 CCCCCOCCOCCO 34a_100011215259_100000211926 [0,2,0,0,0,0|0,0,0]=2 19927 B11R0.3 CCCCCOCCOCCO 7a_100000210253_100011215305 [0,2,0,0,0,0|0,0,0]=2 19928 B11R0.3 CCCCCOCCOCCO 7a_100011215259_100000211926 [0,2,0,0,0,0|0,0,0]=2 19929 B11R0.3 CCCCCOCCOCSC 34a_100011215259_100011218213 [0,2,0,0,0,0|0,0,0]=2 19930 B11R0.3 CCCCCOCCSCCC 34a_200000230433_100000718602 [0,2,0,0,0,0|0,0,0]=2 19931 B11R0.3 CCCCCOCCSCCC 7a_200000230433_100000210326 [0,2,0,0,0,0|0,0,0]=2 19932 B11R0.3 CCCCCOCOCCCC 34a_100000210253_100011995733 [0,2,0,0,0,0|0,0,0]=2 19933 B11R0.3 CCCCCSCCCCC#N 62a_100000210326_100000211819 [0,2,0,0,0,0|0,1,0]=3 19934 B11R0.3 CCCCCSCCCCC#N 62a_100011219923_100000210326 [0,2,0,0,0,0|0,1,0]=3 19935 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [0,2,0,0,0,0|0,1,0]=3 19936 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [0,2,0,0,0,0|0,1,0]=3 19937 B11R0.3 CCCCCSCCCCCF 62a_100000210326_100000729378 [0,2,0,0,0,0|0,1,0]=3 19938 B11R0.3 CCCCCSCCCCCF 62a_100000729378_100000210326 [0,2,0,0,0,0|0,1,0]=3 19939 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [0,2,0,0,0,0|0,1,0]=3 19940 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [0,2,0,0,0,0|0,1,0]=3 19941 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [0,2,0,0,0,0|0,1,0]=3 19942 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [0,2,0,0,0,0|0,1,0]=3 19943 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [0,2,0,0,0,0|0,1,0]=3 19944 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [0,2,0,0,0,0|0,1,0]=3 19945 B11R0.3 CCCCCSCCOCC#N 62a_100000210326_200000047693 [0,2,0,0,0,0|0,1,1]=4 19946 B11R0.3 CCCCCSCCOCC#N 62a_200000047693_100000210326 [0,2,0,0,0,0|0,1,1]=4 19947 B11R0.3 CCCCCSCCOCCC 62a_100000210326_100011215938 [0,2,0,0,0,0|0,1,0]=3 19948 B11R0.3 CCCCCSCCOCCC 62a_100011215938_100000210326 [0,2,0,0,0,0|0,1,0]=3 19949 B11R0.3 CCCCCSCCOCCO 62a_100000210326_100011215305 [0,2,0,0,0,0|0,1,0]=3 19950 B11R0.3 CCCCCSCCOCCO 62a_100011215305_100000210326 [0,2,0,0,0,0|0,1,0]=3 19951 B11R0.3 CCCCCSCOCCCC 62a_100000210326_100011995733 [0,2,0,0,0,0|0,0,0]=2 19952 B11R0.3 CCCCCSCOCCCC 62a_100011995733_100000210326 [0,2,0,0,0,0|0,0,0]=2 19953 B11R0.3 CCCCCSCOCCOC 62a_100000210326_100000231047 [0,2,0,0,0,0|0,1,0]=3 19954 B11R0.3 CCCCCSCOCCOC 62a_100000231047_100000210326 [0,2,0,0,0,0|0,1,0]=3 19955 B11R0.3 CCCCNCCCCCC#N 2230a_100000102301_100009813376 [0,2,0,0,0,0|1,0,0]=3 19956 B11R0.3 CCCCNCCCCCC#N 7a_106832991798_100009813376 [0,2,0,0,0,0|1,0,0]=3 19957 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [0,2,0,0,0,0|1,0,0]=3 19958 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [0,2,0,0,0,0|1,0,0]=3 19959 B11R0.3 CCCCNCCCCCCF 2230a_100000102301_100015922095 [0,2,0,0,0,0|1,0,0]=3 19960 B11R0.3 CCCCNCCCCCCF 7a_106832991798_100015922095 [0,2,0,0,0,0|1,0,0]=3 19961 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [0,2,0,0,0,0|1,0,0]=3 19962 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [0,2,0,0,0,0|1,0,0]=3 19963 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [0,2,0,0,0,0|1,0,0]=3 19964 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [0,2,0,0,0,0|1,0,0]=3 19965 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [0,2,0,0,0,0|1,0,0]=3 19966 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [0,2,0,0,0,0|1,0,0]=3 19967 B11R0.3 CCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210211 [0,2,0,0,0,0|2,0,0]=4 19968 B11R0.3 CCCCNCCCCOCC 34a_200011216965_100000210202 [0,2,0,0,0,0|1,0,0]=3 19969 B11R0.3 CCCCNCCCCOCF 34a_200011216965_100015361967 [0,2,0,0,0,0|1,0,0]=3 19970 B11R0.3 CCCCNCCCOCCC 2230a_100011217757_100000210211 [0,2,0,0,0,0|1,0,0]=3 19971 B11R0.3 CCCCNCCCOCCC 34a_100011217757_100000210210 [0,2,0,0,0,0|1,0,0]=3 19972 B11R0.3 CCCCNCCOCCCC 2230a_100000102301_100000743108 [0,2,0,0,0,0|0,0,0]=2 19973 B11R0.3 CCCCNCCOCCCC 7a_106832991798_100000743108 [0,2,0,0,0,0|0,0,0]=2 19974 B11R0.3 CCCCNCCOCCOC 2230a_100000102301_100000695917 [0,2,0,0,0,0|1,0,0]=3 19975 B11R0.3 CCCCNCCOCCOC 2230a_100000745349_100000210211 [0,2,0,0,0,0|1,0,0]=3 19976 B11R0.3 CCCCNCCOCCOC 34a_100000745349_100000210210 [0,2,0,0,0,0|1,0,0]=3 19977 B11R0.3 CCCCNCCOCCOC 7a_106832991798_100000695917 [0,2,0,0,0,0|1,0,0]=3 19978 B11R0.3 CCCCNCCSCCCC 2230a_100025743550_100000210211 [0,2,0,0,0,0|0,1,0]=3 19979 B11R0.3 CCCCNN=CCCCCO 4a_100025702795_100000031955 [0,2,0,0,0,0|1,0,1]=4 19980 B11R0.3 CCCCOCCCCCC#N 7a_100000210227_100009813376 [0,2,0,0,0,0|0,0,0]=2 19981 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [0,2,0,0,0,0|0,0,0]=2 19982 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [0,2,0,0,0,0|0,0,0]=2 19983 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [0,2,0,0,0,0|0,0,0]=2 19984 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [0,2,0,0,0,0|0,0,0]=2 19985 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [0,2,0,0,0,0|0,0,0]=2 19986 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [0,2,0,0,0,0|0,0,0]=2 19987 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [0,2,0,0,0,0|0,0,0]=2 19988 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [0,2,0,0,0,0|0,0,0]=2 19989 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [0,2,0,0,0,0|0,0,0]=2 19990 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [0,2,0,0,0,0|0,0,0]=2 19991 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [0,2,0,0,0,0|0,0,0]=2 19992 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [0,2,0,0,0,0|0,0,0]=2 19993 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [0,2,0,0,0,0|0,0,0]=2 19994 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [0,2,0,0,0,0|0,0,0]=2 19995 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [0,2,0,0,0,0|0,0,0]=2 19996 B11R0.3 CCCCOCCCCOCF 34a_200000760531_100015361967 [0,2,0,0,0,0|0,0,0]=2 19997 B11R0.3 CCCCOCCCCOCF 7a_200000760531_100015361967 [0,2,0,0,0,0|0,0,0]=2 19998 B11R0.3 CCCCOCCCNCC#N 2230a_200000211371_100011215382 [0,2,0,0,0,0|0,0,1]=3 19999 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [0,2,0,0,0,0|0,0,1]=3 20000 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [0,2,0,0,0,0|0,0,1]=3 20001 B11R0.3 CCCCOCCCNCCC 2230a_200000211371_100000210303 [0,2,0,0,0,0|0,0,0]=2 20002 B11R0.3 CCCCOCCCNCCC 34a_200000211371_100000210303 [0,2,0,0,0,0|0,0,0]=2 20003 B11R0.3 CCCCOCCCNCCF 2230a_200000211371_100011217306 [0,2,0,0,0,0|0,0,0]=2 20004 B11R0.3 CCCCOCCCNCCF 34a_200000211371_100011217306 [0,2,0,0,0,0|0,0,0]=2 20005 B11R0.3 CCCCOCCCNCCO 2230a_200000211371_100000211926 [0,2,0,0,0,0|0,0,0]=2 20006 B11R0.3 CCCCOCCCNCCO 34a_200000211371_100000211926 [0,2,0,0,0,0|0,0,0]=2 20007 B11R0.3 CCCCOCCCNCOC 2230a_200000211371_100000766300 [0,2,0,0,0,0|0,0,0]=2 20008 B11R0.3 CCCCOCCCNCSC 2230a_200000211371_100011218213 [0,2,0,0,0,0|0,0,0]=2 20009 B11R0.3 CCCCOCCCNCSC 34a_200000211371_100011218213 [0,2,0,0,0,0|0,0,0]=2 20010 B11R0.3 CCCCOCCCOCC#N 7a_200011215613_100011215382 [0,2,0,0,0,0|0,0,1]=3 20011 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [0,2,0,0,0,0|0,0,1]=3 20012 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [0,2,0,0,0,0|0,0,1]=3 20013 B11R0.3 CCCCOCCCOCCC 34a_200011215613_100000210303 [0,2,0,0,0,0|0,0,0]=2 20014 B11R0.3 CCCCOCCCOCCC 7a_200011215613_100000210303 [0,2,0,0,0,0|0,0,0]=2 20015 B11R0.3 CCCCOCCCOCCF 34a_200011215613_100011217306 [0,2,0,0,0,0|0,0,0]=2 20016 B11R0.3 CCCCOCCCOCCF 7a_200011215613_100011217306 [0,2,0,0,0,0|0,0,0]=2 20017 B11R0.3 CCCCOCCCOCCO 34a_200011215613_100000211926 [0,2,0,0,0,0|0,0,0]=2 20018 B11R0.3 CCCCOCCCOCCO 7a_200011215613_100000211926 [0,2,0,0,0,0|0,0,0]=2 20019 B11R0.3 CCCCOCCCOCSC 34a_200011215613_100011218213 [0,2,0,0,0,0|0,0,0]=2 20020 B11R0.3 CCCCOCCNCCCF 2230a_100015189416_100000743108 [0,2,0,0,0,0|0,0,0]=2 20021 B11R0.3 CCCCOCCNCCCF 34a_100015189416_100000743108 [0,2,0,0,0,0|0,0,0]=2 20022 B11R0.3 CCCCOCCNCCOC 2230a_100000209980_100000743108 [0,2,0,0,0,0|0,0,0]=2 20023 B11R0.3 CCCCOCCNCCSC 2230a_100020590264_100000743108 [0,2,0,0,0,0|0,0,0]=2 20024 B11R0.3 CCCCOCCOCCC#N 7a_100000210238_100000184422 [0,2,0,0,0,0|0,0,1]=3 20025 B11R0.3 CCCCOCCOCCCBr 34a_100011217188_100000743108 [0,2,0,0,0,0|0,0,0]=2 20026 B11R0.3 CCCCOCCOCCCC 34a_100000210227_100000743108 [0,2,0,0,0,0|0,0,0]=2 20027 B11R0.3 CCCCOCCOCCCC 34a_100000210238_100000210210 [0,2,0,0,0,0|0,0,0]=2 20028 B11R0.3 CCCCOCCOCCCC 7a_100000210227_100000743108 [0,2,0,0,0,0|0,0,0]=2 20029 B11R0.3 CCCCOCCOCCCC 7a_100000210238_100000210211 [0,2,0,0,0,0|0,0,0]=2 20030 B11R0.3 CCCCOCCOCCCCl 34a_100000230001_100000743108 [0,2,0,0,0,0|0,0,0]=2 20031 B11R0.3 CCCCOCCOCCCF 34a_100000210238_100011934791 [0,2,0,0,0,0|0,0,0]=2 20032 B11R0.3 CCCCOCCOCCCF 34a_100000759539_100000743108 [0,2,0,0,0,0|0,0,0]=2 20033 B11R0.3 CCCCOCCOCCCF 7a_100000210238_100011934791 [0,2,0,0,0,0|0,0,0]=2 20034 B11R0.3 CCCCOCCOCCCN 34a_100000182051_100000743108 [0,2,0,0,0,0|0,0,0]=2 20035 B11R0.3 CCCCOCCOCCCO 34a_100000210238_100000230001 [0,2,0,0,0,0|0,0,0]=2 20036 B11R0.3 CCCCOCCOCCCO 7a_100000210238_100011215043 [0,2,0,0,0,0|0,0,0]=2 20037 B11R0.3 CCCCOCCOCCNC 34a_100000228057_100000210210 [0,2,0,0,0,0|0,0,0]=2 20038 B11R0.3 CCCCOCCOCCOC 34a_100000210227_100000695917 [0,2,0,0,0,0|0,0,0]=2 20039 B11R0.3 CCCCOCCOCCOC 34a_100000210237_100000743108 [0,2,0,0,0,0|0,0,0]=2 20040 B11R0.3 CCCCOCCOCCOC 34a_100000210238_100011201679 [0,2,0,0,0,0|0,0,0]=2 20041 B11R0.3 CCCCOCCOCCOC 34a_100011215163_100000210210 [0,2,0,0,0,0|0,0,0]=2 20042 B11R0.3 CCCCOCCOCCOC 34a_100011215186_200000210301 [0,2,0,0,0,0|0,0,0]=2 20043 B11R0.3 CCCCOCCOCCOC 7a_100000210227_100000695917 [0,2,0,0,0,0|0,0,0]=2 20044 B11R0.3 CCCCOCCOCCOC 7a_100000210238_100000233755 [0,2,0,0,0,0|0,0,0]=2 20045 B11R0.3 CCCCOCCOCCOC 7a_100011215163_100000210211 [0,2,0,0,0,0|0,0,0]=2 20046 B11R0.3 CCCCOCCOCCOC 7a_100011215186_200000210301 [0,2,0,0,0,0|0,0,0]=2 20047 B11R0.3 CCCCOCCOCCON 34a_100000700252_100000743108 [0,2,0,0,0,0|1,0,0]=3 20048 B11R0.3 CCCCOCCOCCO[13CH3] 34a_100011215186_200025704644 [0,2,0,0,0,0|0,0,0]=2 20049 B11R0.3 CCCCOCCOCCO[13CH3] 7a_100011215186_200025704644 [0,2,0,0,0,0|0,0,0]=2 20050 B11R0.3 CCCCOCCOCCSC 34a_100000210238_100000212216 [0,2,0,0,0,0|0,0,0]=2 20051 B11R0.3 CCCCOCCOCCSC 34a_100000230434_100000743108 [0,2,0,0,0,0|0,0,0]=2 20052 B11R0.3 CCCCOCCOCCSC 7a_100000210238_100000212216 [0,2,0,0,0,0|0,0,0]=2 20053 B11R0.3 CCCCOCCOCCSC 7a_100000230434_100000743108 [0,2,0,0,0,0|0,0,0]=2 20054 B11R0.3 CCCCOCCSCCC#N 62a_100000743108_100011215226 [0,2,0,0,0,0|0,0,1]=3 20055 B11R0.3 CCCCOCCSCCC#N 62a_100011215226_100000743108 [0,2,0,0,0,0|0,0,1]=3 20056 B11R0.3 CCCCOCCSCCCC 34a_200000230436_100000210210 [0,2,0,0,0,0|0,0,0]=2 20057 B11R0.3 CCCCOCCSCCCC 62a_100000210211_100000743108 [0,2,0,0,0,0|0,0,0]=2 20058 B11R0.3 CCCCOCCSCCCC 62a_100000743108_100000210210 [0,2,0,0,0,0|0,0,0]=2 20059 B11R0.3 CCCCOCCSCCCC 7a_200000230436_100000210211 [0,2,0,0,0,0|0,0,0]=2 20060 B11R0.3 CCCCOCCSCCCF 62a_100000743108_100011934791 [0,2,0,0,0,0|0,0,0]=2 20061 B11R0.3 CCCCOCCSCCCF 62a_100011934791_100000743108 [0,2,0,0,0,0|0,0,0]=2 20062 B11R0.3 CCCCOCCSCCCO 62a_100000743108_100011215043 [0,2,0,0,0,0|0,0,0]=2 20063 B11R0.3 CCCCOCCSCCCO 62a_100011215043_100000743108 [0,2,0,0,0,0|0,0,0]=2 20064 B11R0.3 CCCCOCCSCCOC 62a_100000233755_100000743108 [0,2,0,0,0,0|0,0,0]=2 20065 B11R0.3 CCCCOCCSCCOC 62a_100000743108_100000233755 [0,2,0,0,0,0|0,0,0]=2 20066 B11R0.3 CCCCOCCSCCSC 62a_100000212216_100000743108 [0,2,0,0,0,0|0,0,0]=2 20067 B11R0.3 CCCCOCCSCCSC 62a_100000743108_100000751147 [0,2,0,0,0,0|0,0,0]=2 20068 B11R0.3 CCCCOCCSCOCC 62a_100000739092_100000743108 [0,2,0,0,0,0|0,0,0]=2 20069 B11R0.3 CCCCOCCSCOCC 62a_100000743108_100000739092 [0,2,0,0,0,0|0,0,0]=2 20070 B11R0.3 CCCCOCCSCSC#N 62a_100000211825_100000743108 [0,2,0,0,0,0|1,0,1]=4 20071 B11R0.3 CCCCOCCSCSC#N 62a_100000743108_100000211825 [0,2,0,0,0,0|1,0,1]=4 20072 B11R0.3 CCCCOCNCCCCO 2230a_100000750430_100011995733 [0,2,0,0,0,0|0,0,0]=2 20073 B11R0.3 CCCCOCNCCCCO 34a_100000750430_100011995733 [0,2,0,0,0,0|0,0,0]=2 20074 B11R0.3 CCCCOCNCCCOC 34a_100150723488_100011995733 [0,2,0,0,0,0|0,0,0]=2 20075 B11R0.3 CCCCOCNCCCSC 2230a_100000749238_100011995733 [0,2,0,0,0,0|0,0,0]=2 20076 B11R0.3 CCCCOCNCCOCC 2230a_102516460346_100011995733 [0,2,0,0,0,0|0,0,0]=2 20077 B11R0.3 CCCCOCNCCOCC 34a_102516460346_100011995733 [0,2,0,0,0,0|0,0,0]=2 20078 B11R0.3 CCCCOCNCCSCC 2230a_100000106463_100011995733 [0,2,0,0,0,0|0,0,0]=2 20079 B11R0.3 CCCCOCOCC#CCCl 34a_200000047223_100011995733 [0,2,0,0,0,0|0,0,2]=4 20080 B11R0.3 CCCCOCOCCCCBr 34a_100011216708_100011995733 [0,2,0,0,0,0|0,0,0]=2 20081 B11R0.3 CCCCOCOCCCCCl 34a_100000210776_100011995733 [0,2,0,0,0,0|0,0,0]=2 20082 B11R0.3 CCCCOCOCCCCF 34a_100011995726_100011995733 [0,2,0,0,0,0|0,0,0]=2 20083 B11R0.3 CCCCOCOCCCCI 34a_200012148704_100011995733 [0,2,0,0,0,0|0,0,0]=2 20084 B11R0.3 CCCCOCOCCCCN 34a_100000750430_100011995733 [0,2,0,0,0,0|0,0,0]=2 20085 B11R0.3 CCCCOCOCCCNC 34a_100000213112_100011995733 [0,2,0,0,0,0|0,0,0]=2 20086 B11R0.3 CCCCOCOCCCOC 34a_100000740835_100011995733 [0,2,0,0,0,0|0,0,0]=2 20087 B11R0.3 CCCCOCOCCCSC 34a_100000690336_100011995733 [0,2,0,0,0,0|0,0,0]=2 20088 B11R0.3 CCCCOCOCCOCC 34a_100000210136_100011995733 [0,2,0,0,0,0|0,0,0]=2 20089 B11R0.3 CCCCOCOCCSCC 34a_100000212035_100011995733 [0,2,0,0,0,0|0,0,0]=2 20090 B11R0.3 CCCCOCSCC#CCO 62a_100011995733_200000047223 [0,2,0,0,0,0|0,0,2]=4 20091 B11R0.3 CCCCOCSCC#CCO 62a_200000047223_100011995733 [0,2,0,0,0,0|0,0,2]=4 20092 B11R0.3 CCCCOCSCCCC#N 62a_100000687738_100011995733 [0,2,0,0,0,0|0,0,1]=3 20093 B11R0.3 CCCCOCSCCCC#N 62a_100011995733_100000687738 [0,2,0,0,0,0|0,0,1]=3 20094 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [0,2,0,0,0,0|0,0,1]=3 20095 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [0,2,0,0,0,0|0,0,1]=3 20096 B11R0.3 CCCCOCSCCCCF 62a_100000729493_100011995733 [0,2,0,0,0,0|0,0,0]=2 20097 B11R0.3 CCCCOCSCCCCF 62a_100011995733_100000729493 [0,2,0,0,0,0|0,0,0]=2 20098 B11R0.3 CCCCOCSCCCCO 62a_100000210776_100011995733 [0,2,0,0,0,0|0,0,0]=2 20099 B11R0.3 CCCCOCSCCCCO 62a_100011995733_100000210776 [0,2,0,0,0,0|0,0,0]=2 20100 B11R0.3 CCCCOCSCCCOC 62a_100000709357_100011995733 [0,2,0,0,0,0|0,0,0]=2 20101 B11R0.3 CCCCOCSCCCOC 62a_100011995733_100000709357 [0,2,0,0,0,0|0,0,0]=2 20102 B11R0.3 CCCCOCSCCOCC 62a_100000210147_100011995733 [0,2,0,0,0,0|0,0,0]=2 20103 B11R0.3 CCCCOCSCCOCC 62a_100011995733_100011215890 [0,2,0,0,0,0|0,0,0]=2 20104 B11R0.3 CCCCOCSCCSC#N 62a_100000034367_100011995733 [0,2,0,0,0,0|1,0,1]=4 20105 B11R0.3 CCCCOCSCCSC#N 62a_100011995733_100000034367 [0,2,0,0,0,0|1,0,1]=4 20106 B11R0.3 CCCCOCSCCSCC 62a_100000757381_100011995733 [0,2,0,0,0,0|0,0,0]=2 20107 B11R0.3 CCCCOCSCCSCC 62a_100011995733_100000757381 [0,2,0,0,0,0|0,0,0]=2 20108 B11R0.3 CCCCSCCCCCC#N 62a_100000210211_100009813376 [0,2,0,0,0,0|0,1,0]=3 20109 B11R0.3 CCCCSCCCCCC#N 62a_100009813376_100000210210 [0,2,0,0,0,0|0,1,0]=3 20110 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [0,2,0,0,0,0|0,1,0]=3 20111 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [0,2,0,0,0,0|0,1,0]=3 20112 B11R0.3 CCCCSCCCCCCF 62a_100000210211_100015922095 [0,2,0,0,0,0|0,1,0]=3 20113 B11R0.3 CCCCSCCCCCCF 62a_100015922095_100000210210 [0,2,0,0,0,0|0,1,0]=3 20114 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [0,2,0,0,0,0|0,1,0]=3 20115 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [0,2,0,0,0,0|0,1,0]=3 20116 B11R0.3 CCCCSCCNCCC#N 2230a_100025743550_100011215226 [0,2,0,0,0,0|0,1,1]=4 20117 B11R0.3 CCCCSCCNCCCF 2230a_100025743550_100011934791 [0,2,0,0,0,0|0,1,0]=3 20118 B11R0.3 CCCCSCCNCCCO 2230a_100025743550_100000230001 [0,2,0,0,0,0|0,1,0]=3 20119 B11R0.3 CCCCSCCNCCOC 2230a_100025743550_100011201679 [0,2,0,0,0,0|0,1,0]=3 20120 B11R0.3 CCCCSCCNCCSC 2230a_100025743550_100000751147 [0,2,0,0,0,0|0,1,0]=3 20121 B11R0.3 CCCCSCCOCCC#N 7a_200000230436_100000184422 [0,2,0,0,0,0|0,1,1]=4 20122 B11R0.3 CCCCSCCOCCCF 34a_200000230436_100011934791 [0,2,0,0,0,0|0,1,0]=3 20123 B11R0.3 CCCCSCCOCCCF 7a_200000230436_100011934791 [0,2,0,0,0,0|0,1,0]=3 20124 B11R0.3 CCCCSCCOCCCO 34a_200000230436_100000230001 [0,2,0,0,0,0|0,1,0]=3 20125 B11R0.3 CCCCSCCOCCCO 7a_200000230436_100011215043 [0,2,0,0,0,0|0,1,0]=3 20126 B11R0.3 CCCCSCCOCCOC 34a_200000230436_100011201679 [0,2,0,0,0,0|0,1,0]=3 20127 B11R0.3 CCCCSCCOCCOC 62a_100000210211_100000695917 [0,2,0,0,0,0|0,1,0]=3 20128 B11R0.3 CCCCSCCOCCOC 62a_100000695917_100000210210 [0,2,0,0,0,0|0,1,0]=3 20129 B11R0.3 CCCCSCCOCCOC 7a_200000230436_100000233755 [0,2,0,0,0,0|0,1,0]=3 20130 B11R0.3 CCCCSCCOCCSC 34a_200000230436_100000212216 [0,2,0,0,0,0|0,1,0]=3 20131 B11R0.3 CCCCSCCOCCSC 7a_200000230436_100000212216 [0,2,0,0,0,0|0,1,0]=3 20132 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [0,2,0,0,0,0|1,0,0]=3 20133 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [0,2,0,0,0,0|1,0,0]=3 20134 B11R0.3 CCCNCCCOCCCO 2230a_100011310245_100000210303 [0,2,0,0,0,0|1,0,0]=3 20135 B11R0.3 CCCNCCCOCCCO 34a_100011310245_100000210303 [0,2,0,0,0,0|1,0,0]=3 20136 B11R0.3 CCCNCCCOCCOC 2230a_100000206027_100000210303 [0,2,0,0,0,0|1,0,0]=3 20137 B11R0.3 CCCNCCCOCCOC 34a_100000206027_100000210303 [0,2,0,0,0,0|1,0,0]=3 20138 B11R0.3 CCCNCCOCCN=[N+]=[N-] 2230a_100102953956_100000210303 [0,2,0,0,0,0|2,0,0]=4 20139 B11R0.3 CCCNCCOCCOCC 2230a_100102712874_100000210303 [0,2,0,0,0,0|0,0,0]=2 20140 B11R0.3 CCCNCCOCCOCC 34a_100102712874_100000210303 [0,2,0,0,0,0|0,0,0]=2 20141 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [0,2,0,0,0,0|1,0,0]=3 20142 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [0,2,0,0,0,0|1,0,0]=3 20143 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [0,2,0,0,0,0|1,0,0]=3 20144 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [0,2,0,0,0,0|1,0,0]=3 20145 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [0,2,0,0,0,0|1,0,0]=3 20146 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [0,2,0,0,0,0|1,0,0]=3 20147 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [0,2,0,0,0,0|1,0,0]=3 20148 B11R0.3 CCCOCCCNCCCF 2230a_100011217757_100011934791 [0,2,0,0,0,0|2,0,0]=4 20149 B11R0.3 CCCOCCCNCCCF 34a_100011217757_100011934791 [0,2,0,0,0,0|2,0,0]=4 20150 B11R0.3 CCCOCCCNCCCO 2230a_100011217757_100000230001 [0,2,0,0,0,0|2,0,0]=4 20151 B11R0.3 CCCOCCCNCCCO 34a_100011217757_100000230001 [0,2,0,0,0,0|2,0,0]=4 20152 B11R0.3 CCCOCCCNCCOC 2230a_100011217757_100011201679 [0,2,0,0,0,0|2,0,0]=4 20153 B11R0.3 CCCOCCCNCCOC 34a_100011217757_100011201679 [0,2,0,0,0,0|2,0,0]=4 20154 B11R0.3 CCCOCCCNCCSC 2230a_100011217757_100000751147 [0,2,0,0,0,0|2,0,0]=4 20155 B11R0.3 CCCOCCCNCCSC 34a_100011217757_100000212216 [0,2,0,0,0,0|2,0,0]=4 20156 B11R0.3 CCCOCCCOCCCN 34a_100011310245_100000210303 [0,2,0,0,0,0|1,0,0]=3 20157 B11R0.3 CCCOCCCOCCOC 34a_100000210258_100011216529 [0,2,0,0,0,0|1,0,0]=3 20158 B11R0.3 CCCOCCNCCCC#N 2230a_100161115042_100000687738 [0,2,0,0,0,0|1,0,1]=4 20159 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [0,2,0,0,0,0|1,0,1]=4 20160 B11R0.3 CCCOCCNCCCCF 2230a_100161115042_100000729493 [0,2,0,0,0,0|1,0,0]=3 20161 B11R0.3 CCCOCCNCCCCF 34a_100161115042_100000729493 [0,2,0,0,0,0|1,0,0]=3 20162 B11R0.3 CCCOCCNCCCCO 2230a_100000750430_100011215938 [0,2,0,0,0,0|1,0,0]=3 20163 B11R0.3 CCCOCCNCCCCO 2230a_100161115042_100000210776 [0,2,0,0,0,0|1,0,0]=3 20164 B11R0.3 CCCOCCNCCCCO 34a_100000750430_100011215938 [0,2,0,0,0,0|1,0,0]=3 20165 B11R0.3 CCCOCCNCCCCO 34a_100161115042_100011216708 [0,2,0,0,0,0|1,0,0]=3 20166 B11R0.3 CCCOCCNCCCOC 2230a_100161115042_100000740836 [0,2,0,0,0,0|1,0,0]=3 20167 B11R0.3 CCCOCCNCCCOC 34a_100150723488_100011215938 [0,2,0,0,0,0|1,0,0]=3 20168 B11R0.3 CCCOCCNCCCOC 34a_100161115042_100000740836 [0,2,0,0,0,0|1,0,0]=3 20169 B11R0.3 CCCOCCNCCCSC 2230a_100000749238_100011215938 [0,2,0,0,0,0|1,0,0]=3 20170 B11R0.3 CCCOCCNCCOCC 2230a_100161115042_100011215890 [0,2,0,0,0,0|1,0,0]=3 20171 B11R0.3 CCCOCCNCCOCC 2230a_102516460346_100011215938 [0,2,0,0,0,0|1,0,0]=3 20172 B11R0.3 CCCOCCNCCOCC 34a_100161115042_100000210147 [0,2,0,0,0,0|1,0,0]=3 20173 B11R0.3 CCCOCCNCCOCC 34a_102516460346_100011215938 [0,2,0,0,0,0|1,0,0]=3 20174 B11R0.3 CCCOCCNCCSCC 2230a_100000106463_100011215938 [0,2,0,0,0,0|1,0,0]=3 20175 B11R0.3 CCCOCCNCCSCC 2230a_100161115042_100000757381 [0,2,0,0,0,0|1,0,0]=3 20176 B11R0.3 CCCOCCNCCSCC 34a_100161115042_100000757381 [0,2,0,0,0,0|1,0,0]=3 20177 B11R0.3 CCCOCCOCC#CCCl 34a_200000047223_100011215938 [0,2,0,0,0,0|0,0,2]=4 20178 B11R0.3 CCCOCCOCC#CCO 34a_100000752267_200000047223 [0,2,0,0,0,0|0,0,2]=4 20179 B11R0.3 CCCOCCOCC#CCO 7a_100000752267_200000047223 [0,2,0,0,0,0|0,0,2]=4 20180 B11R0.3 CCCOCCOCCCC#N 7a_100000752267_100000687738 [0,2,0,0,0,0|0,0,1]=3 20181 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [0,2,0,0,0,0|0,0,1]=3 20182 B11R0.3 CCCOCCOCCCCBr 34a_100011216708_100011215938 [0,2,0,0,0,0|0,0,0]=2 20183 B11R0.3 CCCOCCOCCCCCl 34a_100000210776_100011215938 [0,2,0,0,0,0|0,0,0]=2 20184 B11R0.3 CCCOCCOCCCCCl 7a_100000210776_100011215938 [0,2,0,0,0,0|0,0,0]=2 20185 B11R0.3 CCCOCCOCCCCF 34a_100000752267_100000729493 [0,2,0,0,0,0|0,0,0]=2 20186 B11R0.3 CCCOCCOCCCCF 34a_100011995726_100011215938 [0,2,0,0,0,0|0,0,0]=2 20187 B11R0.3 CCCOCCOCCCCF 7a_100000752267_100000729493 [0,2,0,0,0,0|0,0,0]=2 20188 B11R0.3 CCCOCCOCCCCF 7a_100011995726_100011215938 [0,2,0,0,0,0|0,0,0]=2 20189 B11R0.3 CCCOCCOCCCCI 34a_200012148704_100011215938 [0,2,0,0,0,0|0,0,0]=2 20190 B11R0.3 CCCOCCOCCCCN 34a_100000750430_100011215938 [0,2,0,0,0,0|0,0,0]=2 20191 B11R0.3 CCCOCCOCCCCO 34a_100000752267_100011216708 [0,2,0,0,0,0|0,0,0]=2 20192 B11R0.3 CCCOCCOCCCCO 7a_100000752267_100000210776 [0,2,0,0,0,0|0,0,0]=2 20193 B11R0.3 CCCOCCOCCCNC 34a_100000213112_100011215938 [0,2,0,0,0,0|0,0,0]=2 20194 B11R0.3 CCCOCCOCCCOC 34a_100000740835_100011215938 [0,2,0,0,0,0|0,0,0]=2 20195 B11R0.3 CCCOCCOCCCOC 34a_100000752267_100000740836 [0,2,0,0,0,0|0,0,0]=2 20196 B11R0.3 CCCOCCOCCCOC 7a_100000752267_100000740836 [0,2,0,0,0,0|0,0,0]=2 20197 B11R0.3 CCCOCCOCCCSC 34a_100000690336_100011215938 [0,2,0,0,0,0|0,0,0]=2 20198 B11R0.3 CCCOCCOCCCSC 7a_100000690336_100011215938 [0,2,0,0,0,0|0,0,0]=2 20199 B11R0.3 CCCOCCOCCNCC 2230a_200011904461_100000210202 [0,2,0,0,0,0|0,0,0]=2 20200 B11R0.3 CCCOCCOCCNCC 34a_200011904461_100000210202 [0,2,0,0,0,0|0,0,0]=2 20201 B11R0.3 CCCOCCOCCNCF 34a_200011904461_100015361967 [0,2,0,0,0,0|1,0,0]=3 20202 B11R0.3 CCCOCCOCCOCC 34a_100000210136_100011215938 [0,2,0,0,0,0|0,0,0]=2 20203 B11R0.3 CCCOCCOCCOCC 34a_100000210240_100000210303 [0,2,0,0,0,0|0,0,0]=2 20204 B11R0.3 CCCOCCOCCOCC 34a_100000210258_100011211534 [0,2,0,0,0,0|0,0,0]=2 20205 B11R0.3 CCCOCCOCCOCC 34a_100000752267_100000210147 [0,2,0,0,0,0|0,0,0]=2 20206 B11R0.3 CCCOCCOCCOCC 7a_100000210136_100011215938 [0,2,0,0,0,0|0,0,0]=2 20207 B11R0.3 CCCOCCOCCOCC 7a_100000210240_100000210303 [0,2,0,0,0,0|0,0,0]=2 20208 B11R0.3 CCCOCCOCCOCC 7a_100000752267_100011215890 [0,2,0,0,0,0|0,0,0]=2 20209 B11R0.3 CCCOCCOCCSCC 34a_100000212035_100011215938 [0,2,0,0,0,0|0,0,0]=2 20210 B11R0.3 CCCOCCOCCSCC 34a_100000752267_100000757381 [0,2,0,0,0,0|0,0,0]=2 20211 B11R0.3 CCCOCCOCCSCC 7a_100000212035_100011215938 [0,2,0,0,0,0|0,0,0]=2 20212 B11R0.3 CCCOCCOCCSCC 7a_100000752267_100000757381 [0,2,0,0,0,0|0,0,0]=2 20213 B11R0.3 CCCOCCSCCCC#N 62a_100000687738_100011215938 [0,2,0,0,0,0|0,1,1]=4 20214 B11R0.3 CCCOCCSCCCC#N 62a_100011215938_100000687738 [0,2,0,0,0,0|0,1,1]=4 20215 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [0,2,0,0,0,0|0,1,1]=4 20216 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [0,2,0,0,0,0|0,1,1]=4 20217 B11R0.3 CCCOCCSCCCCF 62a_100000729493_100011215938 [0,2,0,0,0,0|0,1,0]=3 20218 B11R0.3 CCCOCCSCCCCF 62a_100011215938_100000729493 [0,2,0,0,0,0|0,1,0]=3 20219 B11R0.3 CCCOCCSCCCCO 62a_100000210776_100011215938 [0,2,0,0,0,0|0,1,0]=3 20220 B11R0.3 CCCOCCSCCCCO 62a_100011215938_100000210776 [0,2,0,0,0,0|0,1,0]=3 20221 B11R0.3 CCCOCCSCCCOC 62a_100000709357_100011215938 [0,2,0,0,0,0|0,1,0]=3 20222 B11R0.3 CCCOCCSCCCOC 62a_100011215938_100000709357 [0,2,0,0,0,0|0,1,0]=3 20223 B11R0.3 CCCOCCSCCOCC 62a_100000210147_100011215938 [0,2,0,0,0,0|0,1,0]=3 20224 B11R0.3 CCCOCCSCCOCC 62a_100011215938_100011215890 [0,2,0,0,0,0|0,1,0]=3 20225 B11R0.3 CCCOCCSCCSCC 62a_100000757381_100011215938 [0,2,0,0,0,0|0,1,0]=3 20226 B11R0.3 CCCOCCSCCSCC 62a_100011215938_100000757381 [0,2,0,0,0,0|0,1,0]=3 20227 B11R0.3 CCCSCCCCCCC#N 62a_100000210303_100009813337 [0,2,0,0,0,0|1,0,1]=4 20228 B11R0.3 CCCSCCCCCCC#N 62a_100009813337_100000210303 [0,2,0,0,0,0|1,0,1]=4 20229 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [0,2,0,0,0,0|1,0,0]=3 20230 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [0,2,0,0,0,0|1,0,0]=3 20231 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [0,2,0,0,0,0|1,0,0]=3 20232 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [0,2,0,0,0,0|1,0,0]=3 20233 B11R0.3 CCCSCCCOCCOC 62a_100000210303_100011216529 [0,2,0,0,0,0|1,0,0]=3 20234 B11R0.3 CCCSCCCOCCOC 62a_100011216529_100000210303 [0,2,0,0,0,0|1,0,0]=3 20235 B11R0.3 CCCSCCNCCCC#N 2230a_100020603323_100000687738 [0,2,0,0,0,0|1,0,1]=4 20236 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [0,2,0,0,0,0|1,0,1]=4 20237 B11R0.3 CCCSCCNCCCCF 2230a_100020603323_100000729493 [0,2,0,0,0,0|1,0,0]=3 20238 B11R0.3 CCCSCCNCCCCO 2230a_100020603323_100000210776 [0,2,0,0,0,0|1,0,0]=3 20239 B11R0.3 CCCSCCNCCCOC 2230a_100020603323_100000740836 [0,2,0,0,0,0|1,0,0]=3 20240 B11R0.3 CCCSCCNCCOCC 2230a_100020603323_100011215890 [0,2,0,0,0,0|1,0,0]=3 20241 B11R0.3 CCCSCCNCCSCC 2230a_100020603323_100000757381 [0,2,0,0,0,0|1,0,0]=3 20242 B11R0.3 CCCSCCOCC#CCO 34a_200000230433_200000047223 [0,2,0,0,0,0|0,0,2]=4 20243 B11R0.3 CCCSCCOCC#CCO 7a_200000230433_200000047223 [0,2,0,0,0,0|0,0,2]=4 20244 B11R0.3 CCCSCCOCCCC#N 7a_200000230433_100000687738 [0,2,0,0,0,0|0,0,1]=3 20245 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [0,2,0,0,0,0|0,0,1]=3 20246 B11R0.3 CCCSCCOCCCCF 34a_200000230433_100000729493 [0,2,0,0,0,0|0,0,0]=2 20247 B11R0.3 CCCSCCOCCCCF 7a_200000230433_100000729493 [0,2,0,0,0,0|0,0,0]=2 20248 B11R0.3 CCCSCCOCCCCO 34a_200000230433_100011216708 [0,2,0,0,0,0|0,0,0]=2 20249 B11R0.3 CCCSCCOCCCCO 7a_200000230433_100000210776 [0,2,0,0,0,0|0,0,0]=2 20250 B11R0.3 CCCSCCOCCCOC 34a_200000230433_100000740836 [0,2,0,0,0,0|0,0,0]=2 20251 B11R0.3 CCCSCCOCCCOC 7a_200000230433_100000740836 [0,2,0,0,0,0|0,0,0]=2 20252 B11R0.3 CCCSCCOCCOCC 34a_200000230433_100000210147 [0,2,0,0,0,0|0,0,0]=2 20253 B11R0.3 CCCSCCOCCOCC 62a_100000210303_100011211534 [0,2,0,0,0,0|0,0,0]=2 20254 B11R0.3 CCCSCCOCCOCC 62a_100011211534_100000210303 [0,2,0,0,0,0|0,0,0]=2 20255 B11R0.3 CCCSCCOCCOCC 7a_200000230433_100011215890 [0,2,0,0,0,0|0,0,0]=2 20256 B11R0.3 CCCSCCOCCSCC 34a_200000230433_100000757381 [0,2,0,0,0,0|0,0,0]=2 20257 B11R0.3 CCCSCCOCCSCC 7a_200000230433_100000757381 [0,2,0,0,0,0|0,0,0]=2 20258 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [0,2,0,0,0,0|1,0,0]=3 20259 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [0,2,0,0,0,0|1,0,0]=3 20260 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [0,2,0,0,0,0|1,0,0]=3 20261 B11R0.3 CCNCCOCCOCCO 2230a_100011998139_100000210202 [0,2,0,0,0,0|1,0,0]=3 20262 B11R0.3 CCNCCOCCOCCO 2230a_100015525214_100000032323 [0,2,0,0,0,0|1,0,0]=3 20263 B11R0.3 CCNCCOCCOCCO 34a_100011998139_100000210202 [0,2,0,0,0,0|1,0,0]=3 20264 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [0,2,0,0,0,0|1,0,0]=3 20265 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [0,2,0,0,0,0|1,0,0]=3 20266 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [0,2,0,0,0,0|1,0,0]=3 20267 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [0,2,0,0,0,0|1,0,0]=3 20268 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [0,2,0,0,0,0|1,0,0]=3 20269 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [0,2,0,0,0,0|1,0,0]=3 20270 B11R0.3 CCOCCCCCNCCN 34a_103619048469_100000210202 [0,2,0,0,0,0|2,0,0]=4 20271 B11R0.3 CCOCCCNCCCC#N 2230a_100000210961_100000687738 [0,2,0,0,0,0|1,0,1]=4 20272 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [0,2,0,0,0,0|1,0,1]=4 20273 B11R0.3 CCOCCCNCCCCF 2230a_100000210961_100000729493 [0,2,0,0,0,0|1,0,0]=3 20274 B11R0.3 CCOCCCNCCCCF 34a_100000210961_100000729493 [0,2,0,0,0,0|1,0,0]=3 20275 B11R0.3 CCOCCCNCCCCO 2230a_100000210961_100000210776 [0,2,0,0,0,0|1,0,0]=3 20276 B11R0.3 CCOCCCNCCCCO 2230a_100000750430_100012232248 [0,2,0,0,0,0|1,0,0]=3 20277 B11R0.3 CCOCCCNCCCCO 34a_100000210961_100011216708 [0,2,0,0,0,0|1,0,0]=3 20278 B11R0.3 CCOCCCNCCCCO 34a_100000750430_100012232248 [0,2,0,0,0,0|1,0,0]=3 20279 B11R0.3 CCOCCCNCCCOC 2230a_100000210961_100000740836 [0,2,0,0,0,0|1,0,0]=3 20280 B11R0.3 CCOCCCNCCCOC 34a_100000210961_100000740836 [0,2,0,0,0,0|1,0,0]=3 20281 B11R0.3 CCOCCCNCCCOC 34a_100150723488_100012232248 [0,2,0,0,0,0|1,0,0]=3 20282 B11R0.3 CCOCCCNCCCSC 2230a_100000749238_100012232248 [0,2,0,0,0,0|1,0,0]=3 20283 B11R0.3 CCOCCCNCCOCC 2230a_100000210961_100011215890 [0,2,0,0,0,0|1,0,0]=3 20284 B11R0.3 CCOCCCNCCOCC 2230a_102516460346_100012232248 [0,2,0,0,0,0|1,0,0]=3 20285 B11R0.3 CCOCCCNCCOCC 34a_100000210961_100000210147 [0,2,0,0,0,0|1,0,0]=3 20286 B11R0.3 CCOCCCNCCOCC 34a_102516460346_100012232248 [0,2,0,0,0,0|1,0,0]=3 20287 B11R0.3 CCOCCCNCCSCC 2230a_100000106463_100012232248 [0,2,0,0,0,0|1,0,0]=3 20288 B11R0.3 CCOCCCNCCSCC 2230a_100000210961_100000757381 [0,2,0,0,0,0|1,0,0]=3 20289 B11R0.3 CCOCCCNCCSCC 34a_100000210961_100000757381 [0,2,0,0,0,0|1,0,0]=3 20290 B11R0.3 CCOCCCOCC#CCCl 34a_200000047223_100012232248 [0,2,0,0,0,0|0,0,2]=4 20291 B11R0.3 CCOCCCOCC#CCO 34a_100000757476_200000047223 [0,2,0,0,0,0|0,0,2]=4 20292 B11R0.3 CCOCCCOCC#CCO 7a_100000757476_200000047223 [0,2,0,0,0,0|0,0,2]=4 20293 B11R0.3 CCOCCCOCCCC#N 7a_100000757476_100000687738 [0,2,0,0,0,0|0,0,1]=3 20294 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [0,2,0,0,0,0|0,0,1]=3 20295 B11R0.3 CCOCCCOCCCCBr 34a_100011216708_100012232248 [0,2,0,0,0,0|0,0,0]=2 20296 B11R0.3 CCOCCCOCCCCCl 34a_100000210776_100012232248 [0,2,0,0,0,0|0,0,0]=2 20297 B11R0.3 CCOCCCOCCCCCl 7a_100000210776_100012232248 [0,2,0,0,0,0|0,0,0]=2 20298 B11R0.3 CCOCCCOCCCCF 34a_100000757476_100000729493 [0,2,0,0,0,0|0,0,0]=2 20299 B11R0.3 CCOCCCOCCCCF 34a_100011995726_100012232248 [0,2,0,0,0,0|0,0,0]=2 20300 B11R0.3 CCOCCCOCCCCF 7a_100000757476_100000729493 [0,2,0,0,0,0|0,0,0]=2 20301 B11R0.3 CCOCCCOCCCCF 7a_100011995726_100012232248 [0,2,0,0,0,0|0,0,0]=2 20302 B11R0.3 CCOCCCOCCCCI 34a_200012148704_100012232248 [0,2,0,0,0,0|0,0,0]=2 20303 B11R0.3 CCOCCCOCCCCN 34a_100000750430_100012232248 [0,2,0,0,0,0|0,0,0]=2 20304 B11R0.3 CCOCCCOCCCCO 34a_100000757476_100011216708 [0,2,0,0,0,0|0,0,0]=2 20305 B11R0.3 CCOCCCOCCCCO 7a_100000757476_100000210776 [0,2,0,0,0,0|0,0,0]=2 20306 B11R0.3 CCOCCCOCCCNC 34a_100000213112_100012232248 [0,2,0,0,0,0|0,0,0]=2 20307 B11R0.3 CCOCCCOCCCOC 34a_100000740835_100012232248 [0,2,0,0,0,0|0,0,0]=2 20308 B11R0.3 CCOCCCOCCCOC 34a_100000757476_100000740836 [0,2,0,0,0,0|0,0,0]=2 20309 B11R0.3 CCOCCCOCCCOC 34a_200011215475_100000210202 [0,2,0,0,0,0|0,0,0]=2 20310 B11R0.3 CCOCCCOCCCOC 7a_100000757476_100000740836 [0,2,0,0,0,0|0,0,0]=2 20311 B11R0.3 CCOCCCOCCCOC 7a_200011215475_100000210202 [0,2,0,0,0,0|0,0,0]=2 20312 B11R0.3 CCOCCCOCCCSC 34a_100000690336_100012232248 [0,2,0,0,0,0|0,0,0]=2 20313 B11R0.3 CCOCCCOCCCSC 7a_100000690336_100012232248 [0,2,0,0,0,0|0,0,0]=2 20314 B11R0.3 CCOCCCOCCOCC 34a_100000210136_100012232248 [0,2,0,0,0,0|0,0,0]=2 20315 B11R0.3 CCOCCCOCCOCC 34a_100000757476_100000210147 [0,2,0,0,0,0|0,0,0]=2 20316 B11R0.3 CCOCCCOCCOCC 7a_100000210136_100012232248 [0,2,0,0,0,0|0,0,0]=2 20317 B11R0.3 CCOCCCOCCOCC 7a_100000757476_100011215890 [0,2,0,0,0,0|0,0,0]=2 20318 B11R0.3 CCOCCCOCCSCC 34a_100000212035_100012232248 [0,2,0,0,0,0|0,0,0]=2 20319 B11R0.3 CCOCCCOCCSCC 34a_100000757476_100000757381 [0,2,0,0,0,0|0,0,0]=2 20320 B11R0.3 CCOCCCOCCSCC 7a_100000212035_100012232248 [0,2,0,0,0,0|0,0,0]=2 20321 B11R0.3 CCOCCCOCCSCC 7a_100000757476_100000757381 [0,2,0,0,0,0|0,0,0]=2 20322 B11R0.3 CCOCCCSCCCC#N 62a_100000687738_100012232248 [0,2,0,0,0,0|0,1,1]=4 20323 B11R0.3 CCOCCCSCCCC#N 62a_100012232248_100000687738 [0,2,0,0,0,0|0,1,1]=4 20324 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [0,2,0,0,0,0|0,1,1]=4 20325 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [0,2,0,0,0,0|0,1,1]=4 20326 B11R0.3 CCOCCCSCCCCF 62a_100000729493_100012232248 [0,2,0,0,0,0|0,1,0]=3 20327 B11R0.3 CCOCCCSCCCCF 62a_100012232248_100000729493 [0,2,0,0,0,0|0,1,0]=3 20328 B11R0.3 CCOCCCSCCCCO 62a_100000210776_100012232248 [0,2,0,0,0,0|0,1,0]=3 20329 B11R0.3 CCOCCCSCCCCO 62a_100012232248_100000210776 [0,2,0,0,0,0|0,1,0]=3 20330 B11R0.3 CCOCCCSCCCOC 62a_100000709357_100012232248 [0,2,0,0,0,0|0,1,0]=3 20331 B11R0.3 CCOCCCSCCCOC 62a_100012232248_100000709357 [0,2,0,0,0,0|0,1,0]=3 20332 B11R0.3 CCOCCCSCCOCC 62a_100000210147_100012232248 [0,2,0,0,0,0|0,1,0]=3 20333 B11R0.3 CCOCCCSCCOCC 62a_100012232248_100011215890 [0,2,0,0,0,0|0,1,0]=3 20334 B11R0.3 CCOCCCSCCSCC 62a_100000757381_100012232248 [0,2,0,0,0,0|0,1,0]=3 20335 B11R0.3 CCOCCCSCCSCC 62a_100012232248_100000757381 [0,2,0,0,0,0|0,1,0]=3 20336 B11R0.3 CCOCCNCCCCC#N 2230a_102516460346_100000211819 [0,2,0,0,0,0|1,0,1]=4 20337 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [0,2,0,0,0,0|1,0,1]=4 20338 B11R0.3 CCOCCNCCCCCF 2230a_102516460346_100000729378 [0,2,0,0,0,0|1,0,0]=3 20339 B11R0.3 CCOCCNCCCCCF 34a_102516460346_100000729378 [0,2,0,0,0,0|1,0,0]=3 20340 B11R0.3 CCOCCNCCCCCO 2230a_100000762737_100011215890 [0,2,0,0,0,0|1,0,0]=3 20341 B11R0.3 CCOCCNCCCCCO 2230a_102516460346_100000746330 [0,2,0,0,0,0|1,0,0]=3 20342 B11R0.3 CCOCCNCCCCCO 34a_100000762737_100000210147 [0,2,0,0,0,0|1,0,0]=3 20343 B11R0.3 CCOCCNCCCCCO 34a_102516460346_100000746330 [0,2,0,0,0,0|1,0,0]=3 20344 B11R0.3 CCOCCNCCCCOC 2230a_102516460346_100000730899 [0,2,0,0,0,0|1,0,0]=3 20345 B11R0.3 CCOCCNCCCCOC 34a_102516460346_100000755781 [0,2,0,0,0,0|1,0,0]=3 20346 B11R0.3 CCOCCNCCOCCO 2230a_100000211614_100011215890 [0,2,0,0,0,0|2,0,0]=4 20347 B11R0.3 CCOCCNCCOCCO 2230a_102516460346_100011215305 [0,2,0,0,0,0|2,0,0]=4 20348 B11R0.3 CCOCCNCCOCCO 34a_100000211614_100000210147 [0,2,0,0,0,0|2,0,0]=4 20349 B11R0.3 CCOCCNCCOCCO 34a_102516460346_100000692535 [0,2,0,0,0,0|2,0,0]=4 20350 B11R0.3 CCOCCNCCSCCO 2230a_100011219999_100011215890 [0,2,0,0,0,0|2,0,0]=4 20351 B11R0.3 CCOCCNCOCCOC 2230a_102516460346_100000231047 [0,2,0,0,0,0|1,0,0]=3 20352 B11R0.3 CCOCCOCCCCC#N 7a_100000210136_100000211819 [0,2,0,0,0,0|0,0,1]=3 20353 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [0,2,0,0,0,0|0,0,1]=3 20354 B11R0.3 CCOCCOCCCCCBr 34a_100000746331_100000210147 [0,2,0,0,0,0|0,0,0]=2 20355 B11R0.3 CCOCCOCCCCCBr 7a_100000746331_100011215890 [0,2,0,0,0,0|0,0,0]=2 20356 B11R0.3 CCOCCOCCCCCCl 34a_100000746330_100000210147 [0,2,0,0,0,0|0,0,0]=2 20357 B11R0.3 CCOCCOCCCCCCl 7a_100000746330_100011215890 [0,2,0,0,0,0|0,0,0]=2 20358 B11R0.3 CCOCCOCCCCCF 34a_100000210136_100000729378 [0,2,0,0,0,0|0,0,0]=2 20359 B11R0.3 CCOCCOCCCCCF 7a_100000210136_100000729378 [0,2,0,0,0,0|0,0,0]=2 20360 B11R0.3 CCOCCOCCCCCI 34a_200012148887_100000210147 [0,2,0,0,0,0|0,0,0]=2 20361 B11R0.3 CCOCCOCCCCCI 7a_200012148887_100011215890 [0,2,0,0,0,0|0,0,0]=2 20362 B11R0.3 CCOCCOCCCCCN 34a_100000762737_100000210147 [0,2,0,0,0,0|0,0,0]=2 20363 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [0,2,0,0,0,0|0,0,0]=2 20364 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [0,2,0,0,0,0|0,0,0]=2 20365 B11R0.3 CCOCCOCCCCOC 34a_100000210136_100000755781 [0,2,0,0,0,0|0,0,0]=2 20366 B11R0.3 CCOCCOCCCCOC 34a_100000740925_100000210147 [0,2,0,0,0,0|0,0,0]=2 20367 B11R0.3 CCOCCOCCCCOC 7a_100000210136_100000730899 [0,2,0,0,0,0|0,0,0]=2 20368 B11R0.3 CCOCCOCCCCSC 34a_100011217163_100000210147 [0,2,0,0,0,0|0,0,0]=2 20369 B11R0.3 CCOCCOCCCCSC 7a_100011217163_100011215890 [0,2,0,0,0,0|0,0,0]=2 20370 B11R0.3 CCOCCOCCCSCC 34a_100011216438_100000210147 [0,2,0,0,0,0|0,0,0]=2 20371 B11R0.3 CCOCCOCCCSCC 7a_100011216438_100011215890 [0,2,0,0,0,0|0,0,0]=2 20372 B11R0.3 CCOCCOCCNCC#N 2230a_100102712874_100011215382 [0,2,0,0,0,0|1,0,1]=4 20373 B11R0.3 CCOCCOCCNCC=O 2230a_100102712874_200015260668 [0,2,0,0,0,0|1,0,1]=4 20374 B11R0.3 CCOCCOCCNCC=O 34a_100102712874_200009817547 [0,2,0,0,0,0|1,0,1]=4 20375 B11R0.3 CCOCCOCCNCCF 2230a_100102712874_100011217306 [0,2,0,0,0,0|1,0,0]=3 20376 B11R0.3 CCOCCOCCNCCF 34a_100000724931_100011211534 [0,2,0,0,0,0|1,0,0]=3 20377 B11R0.3 CCOCCOCCNCCF 34a_100102712874_100011217306 [0,2,0,0,0,0|1,0,0]=3 20378 B11R0.3 CCOCCOCCNCCO 2230a_100016997473_100011211534 [0,2,0,0,0,0|1,0,0]=3 20379 B11R0.3 CCOCCOCCNCCO 2230a_100102712874_100000211926 [0,2,0,0,0,0|1,0,0]=3 20380 B11R0.3 CCOCCOCCNCCO 34a_100016990907_100011211534 [0,2,0,0,0,0|1,0,0]=3 20381 B11R0.3 CCOCCOCCNCCO 34a_100102712874_100000211926 [0,2,0,0,0,0|1,0,0]=3 20382 B11R0.3 CCOCCOCCNCOC 2230a_100102712874_100000766300 [0,2,0,0,0,0|1,0,0]=3 20383 B11R0.3 CCOCCOCCNCSC 2230a_100102712874_100011218213 [0,2,0,0,0,0|1,0,0]=3 20384 B11R0.3 CCOCCOCCNCSC 34a_100102712874_100011218213 [0,2,0,0,0,0|1,0,0]=3 20385 B11R0.3 CCOCCOCCOCC#N 7a_100000210136_200000047693 [0,2,0,0,0,0|1,0,1]=4 20386 B11R0.3 CCOCCOCCOCC#N 7a_100000210240_100011215382 [0,2,0,0,0,0|1,0,1]=4 20387 B11R0.3 CCOCCOCCOCC=O 34a_100000210240_200009817547 [0,2,0,0,0,0|1,0,1]=4 20388 B11R0.3 CCOCCOCCOCC=O 7a_100000210240_200015260668 [0,2,0,0,0,0|1,0,1]=4 20389 B11R0.3 CCOCCOCCOCCBr 34a_100000211926_100011211534 [0,2,0,0,0,0|1,0,0]=3 20390 B11R0.3 CCOCCOCCOCCBr 34a_100000692535_100000210147 [0,2,0,0,0,0|1,0,0]=3 20391 B11R0.3 CCOCCOCCOCCBr 34a_100010132937_100000210202 [0,2,0,0,0,0|1,0,0]=3 20392 B11R0.3 CCOCCOCCOCCBr 7a_100000692535_100011215890 [0,2,0,0,0,0|1,0,0]=3 20393 B11R0.3 CCOCCOCCOCCBr 7a_100010132937_100000210202 [0,2,0,0,0,0|1,0,0]=3 20394 B11R0.3 CCOCCOCCOCCCl 34a_100000032323_100000210202 [0,2,0,0,0,0|1,0,0]=3 20395 B11R0.3 CCOCCOCCOCCCl 34a_100011215305_100000210147 [0,2,0,0,0,0|1,0,0]=3 20396 B11R0.3 CCOCCOCCOCCCl 7a_100000032323_100000210202 [0,2,0,0,0,0|1,0,0]=3 20397 B11R0.3 CCOCCOCCOCCCl 7a_100011215305_100011215890 [0,2,0,0,0,0|1,0,0]=3 20398 B11R0.3 CCOCCOCCOCCF 34a_100000210240_100011217306 [0,2,0,0,0,0|1,0,0]=3 20399 B11R0.3 CCOCCOCCOCCF 34a_200015357709_100000210147 [0,2,0,0,0,0|1,0,0]=3 20400 B11R0.3 CCOCCOCCOCCF 7a_100000210240_100011217306 [0,2,0,0,0,0|1,0,0]=3 20401 B11R0.3 CCOCCOCCOCCF 7a_200015357709_100011215890 [0,2,0,0,0,0|1,0,0]=3 20402 B11R0.3 CCOCCOCCOCCI 34a_100012149058_100000210147 [0,2,0,0,0,0|1,0,0]=3 20403 B11R0.3 CCOCCOCCOCCI 7a_100012149058_100011215890 [0,2,0,0,0,0|1,0,0]=3 20404 B11R0.3 CCOCCOCCOCCN 34a_100000210304_100011211534 [0,2,0,0,0,0|1,0,0]=3 20405 B11R0.3 CCOCCOCCOCCN 34a_100000211614_100000210147 [0,2,0,0,0,0|1,0,0]=3 20406 B11R0.3 CCOCCOCCOCCN 34a_100011998139_100000210202 [0,2,0,0,0,0|1,0,0]=3 20407 B11R0.3 CCOCCOCCOCCO 34a_100000210136_100000692535 [0,2,0,0,0,0|1,0,0]=3 20408 B11R0.3 CCOCCOCCOCCO 34a_100000210240_100000211926 [0,2,0,0,0,0|1,0,0]=3 20409 B11R0.3 CCOCCOCCOCCO 34a_100121572206_100000032323 [0,2,0,0,0,0|1,0,0]=3 20410 B11R0.3 CCOCCOCCOCCO 7a_100000210136_100011215305 [0,2,0,0,0,0|1,0,0]=3 20411 B11R0.3 CCOCCOCCOCCO 7a_100000210240_100000211926 [0,2,0,0,0,0|1,0,0]=3 20412 B11R0.3 CCOCCOCCOCSC 34a_100000210240_100011218213 [0,2,0,0,0,0|1,0,0]=3 20413 B11R0.3 CCOCCOCCSCC#N 62a_100011211534_100011215382 [0,2,0,0,0,0|1,0,1]=4 20414 B11R0.3 CCOCCOCCSCC#N 62a_100011215382_100011211534 [0,2,0,0,0,0|1,0,1]=4 20415 B11R0.3 CCOCCOCCSCC=O 62a_100011211534_200015260668 [0,2,0,0,0,0|1,0,1]=4 20416 B11R0.3 CCOCCOCCSCC=O 62a_200015260668_100011211534 [0,2,0,0,0,0|1,0,1]=4 20417 B11R0.3 CCOCCOCCSCCF 62a_100011211534_100011217306 [0,2,0,0,0,0|1,0,0]=3 20418 B11R0.3 CCOCCOCCSCCF 62a_100011217306_100011211534 [0,2,0,0,0,0|1,0,0]=3 20419 B11R0.3 CCOCCOCCSCCO 62a_100000211926_100011211534 [0,2,0,0,0,0|1,0,0]=3 20420 B11R0.3 CCOCCOCCSCCO 62a_100011211534_100000211926 [0,2,0,0,0,0|1,0,0]=3 20421 B11R0.3 CCOCCOCCSCOC 62a_100000766300_100011211534 [0,2,0,0,0,0|1,0,0]=3 20422 B11R0.3 CCOCCOCCSCOC 62a_100011211534_100000766300 [0,2,0,0,0,0|1,0,0]=3 20423 B11R0.3 CCOCCOCCSCSC 62a_100011211534_100011218213 [0,2,0,0,0,0|1,0,0]=3 20424 B11R0.3 CCOCCOCCSCSC 62a_100011218213_100011211534 [0,2,0,0,0,0|1,0,0]=3 20425 B11R0.3 CCOCCSCCCCC#N 62a_100000210147_100000211819 [0,2,0,0,0,0|0,1,1]=4 20426 B11R0.3 CCOCCSCCCCC#N 62a_100011219923_100011215890 [0,2,0,0,0,0|0,1,1]=4 20427 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [0,2,0,0,0,0|0,1,1]=4 20428 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [0,2,0,0,0,0|0,1,1]=4 20429 B11R0.3 CCOCCSCCCCCF 62a_100000210147_100000729378 [0,2,0,0,0,0|0,1,0]=3 20430 B11R0.3 CCOCCSCCCCCF 62a_100000729378_100011215890 [0,2,0,0,0,0|0,1,0]=3 20431 B11R0.3 CCOCCSCCCCCO 62a_100000210147_100000746330 [0,2,0,0,0,0|0,1,0]=3 20432 B11R0.3 CCOCCSCCCCCO 62a_100000746330_100011215890 [0,2,0,0,0,0|0,1,0]=3 20433 B11R0.3 CCOCCSCCCCOC 62a_100000210147_100000730899 [0,2,0,0,0,0|0,1,0]=3 20434 B11R0.3 CCOCCSCCCCOC 62a_100000730899_100011215890 [0,2,0,0,0,0|0,1,0]=3 20435 B11R0.3 CCOCCSCCOCCO 62a_100000210147_100011215305 [0,2,0,0,0,0|1,1,0]=4 20436 B11R0.3 CCOCCSCCOCCO 62a_100011215305_100011215890 [0,2,0,0,0,0|1,1,0]=4 20437 B11R0.3 CCOCCSCOCCOC 62a_100000210147_100000231047 [0,2,0,0,0,0|1,0,0]=3 20438 B11R0.3 CCOCCSCOCCOC 62a_100000231047_100011215890 [0,2,0,0,0,0|1,0,0]=3 20439 B11R0.3 CCOCSCCCCCC#N 62a_100000739092_100009813376 [0,2,0,0,0,0|1,1,0]=4 20440 B11R0.3 CCOCSCCCCCC#N 62a_100009813376_100000739092 [0,2,0,0,0,0|1,1,0]=4 20441 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [0,2,0,0,0,0|1,1,0]=4 20442 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [0,2,0,0,0,0|1,1,0]=4 20443 B11R0.3 CCOCSCCCCCCF 62a_100000739092_100015922095 [0,2,0,0,0,0|1,1,0]=4 20444 B11R0.3 CCOCSCCCCCCF 62a_100015922095_100000739092 [0,2,0,0,0,0|1,1,0]=4 20445 B11R0.3 CCOCSCCCCCCO 62a_100000739092_100000766143 [0,2,0,0,0,0|1,1,0]=4 20446 B11R0.3 CCOCSCCCCCCO 62a_100000766143_100000739092 [0,2,0,0,0,0|1,1,0]=4 20447 B11R0.3 CCOCSCCOCCOC 62a_100000695917_100000739092 [0,2,0,0,0,0|1,0,0]=3 20448 B11R0.3 CCOCSCCOCCOC 62a_100000739092_100000695917 [0,2,0,0,0,0|1,0,0]=3 20449 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [0,2,0,0,0,0|1,0,0]=3 20450 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [0,2,0,0,0,0|1,0,0]=3 20451 B11R0.3 CCSCCCOCC#CCO 34a_100011216438_200000047223 [0,2,0,0,0,0|0,0,2]=4 20452 B11R0.3 CCSCCCOCC#CCO 7a_100011216438_200000047223 [0,2,0,0,0,0|0,0,2]=4 20453 B11R0.3 CCSCCCOCCCC#N 7a_100011216438_100000687738 [0,2,0,0,0,0|0,0,1]=3 20454 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [0,2,0,0,0,0|0,0,1]=3 20455 B11R0.3 CCSCCCOCCCCF 34a_100011216438_100000729493 [0,2,0,0,0,0|0,0,0]=2 20456 B11R0.3 CCSCCCOCCCCF 7a_100011216438_100000729493 [0,2,0,0,0,0|0,0,0]=2 20457 B11R0.3 CCSCCCOCCCCO 34a_100011216438_100011216708 [0,2,0,0,0,0|0,0,0]=2 20458 B11R0.3 CCSCCCOCCCCO 7a_100011216438_100000210776 [0,2,0,0,0,0|0,0,0]=2 20459 B11R0.3 CCSCCCOCCCOC 34a_100011216438_100000740836 [0,2,0,0,0,0|0,0,0]=2 20460 B11R0.3 CCSCCCOCCCOC 7a_100011216438_100000740836 [0,2,0,0,0,0|0,0,0]=2 20461 B11R0.3 CCSCCCOCCSCC 34a_100011216438_100000757381 [0,2,0,0,0,0|0,0,0]=2 20462 B11R0.3 CCSCCCOCCSCC 7a_100011216438_100000757381 [0,2,0,0,0,0|0,0,0]=2 20463 B11R0.3 CCSCCNCCCCC#N 2230a_100000106463_100000211819 [0,2,0,0,0,0|1,0,1]=4 20464 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [0,2,0,0,0,0|1,0,1]=4 20465 B11R0.3 CCSCCNCCCCCF 2230a_100000106463_100000729378 [0,2,0,0,0,0|1,0,0]=3 20466 B11R0.3 CCSCCNCCCCCO 2230a_100000106463_100000746330 [0,2,0,0,0,0|1,0,0]=3 20467 B11R0.3 CCSCCNCCCCCO 2230a_100000762737_100000757381 [0,2,0,0,0,0|1,0,0]=3 20468 B11R0.3 CCSCCNCCCCCO 34a_100000762737_100000757381 [0,2,0,0,0,0|1,0,0]=3 20469 B11R0.3 CCSCCNCCCCOC 2230a_100000106463_100000730899 [0,2,0,0,0,0|1,0,0]=3 20470 B11R0.3 CCSCCNCCOCCO 2230a_100000106463_100011215305 [0,2,0,0,0,0|2,0,0]=4 20471 B11R0.3 CCSCCNCCOCCO 2230a_100000211614_100000757381 [0,2,0,0,0,0|2,0,0]=4 20472 B11R0.3 CCSCCNCCOCCO 34a_100000211614_100000757381 [0,2,0,0,0,0|2,0,0]=4 20473 B11R0.3 CCSCCNCCSCCO 2230a_100011219999_100000757381 [0,2,0,0,0,0|2,0,0]=4 20474 B11R0.3 CCSCCNCOCCOC 2230a_100000106463_100000231047 [0,2,0,0,0,0|1,0,0]=3 20475 B11R0.3 CCSCCOCCCCC#N 7a_100000212035_100000211819 [0,2,0,0,0,0|0,0,1]=3 20476 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [0,2,0,0,0,0|0,0,1]=3 20477 B11R0.3 CCSCCOCCCCCBr 34a_100000746331_100000757381 [0,2,0,0,0,0|0,0,0]=2 20478 B11R0.3 CCSCCOCCCCCBr 7a_100000746331_100000757381 [0,2,0,0,0,0|0,0,0]=2 20479 B11R0.3 CCSCCOCCCCCCl 34a_100000746330_100000757381 [0,2,0,0,0,0|0,0,0]=2 20480 B11R0.3 CCSCCOCCCCCCl 7a_100000746330_100000757381 [0,2,0,0,0,0|0,0,0]=2 20481 B11R0.3 CCSCCOCCCCCF 34a_100000212035_100000729378 [0,2,0,0,0,0|0,0,0]=2 20482 B11R0.3 CCSCCOCCCCCF 7a_100000212035_100000729378 [0,2,0,0,0,0|0,0,0]=2 20483 B11R0.3 CCSCCOCCCCCI 34a_200012148887_100000757381 [0,2,0,0,0,0|0,0,0]=2 20484 B11R0.3 CCSCCOCCCCCI 7a_200012148887_100000757381 [0,2,0,0,0,0|0,0,0]=2 20485 B11R0.3 CCSCCOCCCCCN 34a_100000762737_100000757381 [0,2,0,0,0,0|0,0,0]=2 20486 B11R0.3 CCSCCOCCCCCO 34a_100000212035_100000746330 [0,2,0,0,0,0|0,0,0]=2 20487 B11R0.3 CCSCCOCCCCCO 7a_100000212035_100000746330 [0,2,0,0,0,0|0,0,0]=2 20488 B11R0.3 CCSCCOCCCCOC 34a_100000212035_100000755781 [0,2,0,0,0,0|0,0,0]=2 20489 B11R0.3 CCSCCOCCCCOC 34a_100000740925_100000757381 [0,2,0,0,0,0|0,0,0]=2 20490 B11R0.3 CCSCCOCCCCOC 7a_100000212035_100000730899 [0,2,0,0,0,0|0,0,0]=2 20491 B11R0.3 CCSCCOCCCCSC 34a_100011217163_100000757381 [0,2,0,0,0,0|0,0,0]=2 20492 B11R0.3 CCSCCOCCCCSC 7a_100011217163_100000757381 [0,2,0,0,0,0|0,0,0]=2 20493 B11R0.3 CCSCCOCCOCC#N 7a_100000212035_200000047693 [0,2,0,0,0,0|1,0,1]=4 20494 B11R0.3 CCSCCOCCOCCBr 34a_100000692535_100000757381 [0,2,0,0,0,0|1,0,0]=3 20495 B11R0.3 CCSCCOCCOCCBr 7a_100000692535_100000757381 [0,2,0,0,0,0|1,0,0]=3 20496 B11R0.3 CCSCCOCCOCCCl 34a_100011215305_100000757381 [0,2,0,0,0,0|1,0,0]=3 20497 B11R0.3 CCSCCOCCOCCCl 7a_100011215305_100000757381 [0,2,0,0,0,0|1,0,0]=3 20498 B11R0.3 CCSCCOCCOCCF 34a_200015357709_100000757381 [0,2,0,0,0,0|1,0,0]=3 20499 B11R0.3 CCSCCOCCOCCF 7a_200015357709_100000757381 [0,2,0,0,0,0|1,0,0]=3 20500 B11R0.3 CCSCCOCCOCCI 34a_100012149058_100000757381 [0,2,0,0,0,0|1,0,0]=3 20501 B11R0.3 CCSCCOCCOCCI 7a_100012149058_100000757381 [0,2,0,0,0,0|1,0,0]=3 20502 B11R0.3 CCSCCOCCOCCN 34a_100000211614_100000757381 [0,2,0,0,0,0|1,0,0]=3 20503 B11R0.3 CCSCCOCCOCCO 34a_100000212035_100000692535 [0,2,0,0,0,0|1,0,0]=3 20504 B11R0.3 CCSCCOCCOCCO 62a_100000032323_100000210202 [0,2,0,0,0,0|1,0,0]=3 20505 B11R0.3 CCSCCOCCOCCO 62a_100000210202_100000032323 [0,2,0,0,0,0|1,0,0]=3 20506 B11R0.3 CCSCCOCCOCCO 7a_100000212035_100011215305 [0,2,0,0,0,0|1,0,0]=3 20507 B11R0.3 CCSCCSCCCCC#N 62a_100000757381_100000211819 [0,2,0,0,0,0|0,1,1]=4 20508 B11R0.3 CCSCCSCCCCC#N 62a_100011219923_100000757381 [0,2,0,0,0,0|0,1,1]=4 20509 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [0,2,0,0,0,0|0,1,1]=4 20510 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [0,2,0,0,0,0|0,1,1]=4 20511 B11R0.3 CCSCCSCCCCCF 62a_100000729378_100000757381 [0,2,0,0,0,0|0,1,0]=3 20512 B11R0.3 CCSCCSCCCCCF 62a_100000757381_100000729378 [0,2,0,0,0,0|0,1,0]=3 20513 B11R0.3 CCSCCSCCCCCO 62a_100000746330_100000757381 [0,2,0,0,0,0|0,1,0]=3 20514 B11R0.3 CCSCCSCCCCCO 62a_100000757381_100000746330 [0,2,0,0,0,0|0,1,0]=3 20515 B11R0.3 CCSCCSCCCCOC 62a_100000730899_100000757381 [0,2,0,0,0,0|0,1,0]=3 20516 B11R0.3 CCSCCSCCCCOC 62a_100000757381_100000730899 [0,2,0,0,0,0|0,1,0]=3 20517 B11R0.3 CCSCCSCCOCCO 62a_100000757381_100011215305 [0,2,0,0,0,0|1,1,0]=4 20518 B11R0.3 CCSCCSCCOCCO 62a_100011215305_100000757381 [0,2,0,0,0,0|1,1,0]=4 20519 B11R0.3 CCSCCSCOCCOC 62a_100000231047_100000757381 [0,2,0,0,0,0|1,0,0]=3 20520 B11R0.3 CCSCCSCOCCOC 62a_100000757381_100000231047 [0,2,0,0,0,0|1,0,0]=3 20521 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [0,2,0,0,0,0|1,0,0]=3 20522 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [0,2,0,0,0,0|1,0,0]=3 20523 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [0,2,0,0,0,0|1,0,0]=3 20524 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [0,2,0,0,0,0|1,0,0]=3 20525 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [0,2,0,0,0,0|1,0,0]=3 20526 B11R0.3 CNCCCCCOCCCF 34a_100000722520_100011934791 [0,2,0,0,0,0|1,0,0]=3 20527 B11R0.3 CNCCCCCOCCCO 34a_100000722520_100000230001 [0,2,0,0,0,0|1,0,0]=3 20528 B11R0.3 CNCCCCCOCCOC 34a_100000722520_100011201679 [0,2,0,0,0,0|1,0,0]=3 20529 B11R0.3 CNCCCCCOCCSC 34a_100000722520_100000212216 [0,2,0,0,0,0|1,0,0]=3 20530 B11R0.3 CNCCCOCCCCCF 34a_100000213112_100000729378 [0,2,0,0,0,0|0,0,0]=2 20531 B11R0.3 CNCCCOCCCCCO 34a_100000213112_100000746330 [0,2,0,0,0,0|0,0,0]=2 20532 B11R0.3 CNCCCOCCCCOC 34a_100000213112_100000755781 [0,2,0,0,0,0|0,0,0]=2 20533 B11R0.3 CNCCCOCCOCCO 2230a_100011996194_200000210301 [0,2,0,0,0,0|1,0,0]=3 20534 B11R0.3 CNCCCOCCOCCO 34a_100000213112_100000692535 [0,2,0,0,0,0|1,0,0]=3 20535 B11R0.3 CNCCCOCCOCCO 34a_100011996194_200000210301 [0,2,0,0,0,0|1,0,0]=3 20536 B11R0.3 CNCCOCCOCCCF 34a_100000228057_100011934791 [0,2,0,0,0,0|1,0,0]=3 20537 B11R0.3 CNCCOCCOCCCO 34a_100000228057_100000230001 [0,2,0,0,0,0|1,0,0]=3 20538 B11R0.3 CNCCOCCOCCOC 2230a_100012028300_200000210301 [0,2,0,0,0,0|1,0,0]=3 20539 B11R0.3 CNCCOCCOCCOC 2230a_106832991635_100013367474 [0,2,0,0,0,0|1,0,0]=3 20540 B11R0.3 CNCCOCCOCCOC 34a_100000228057_100011201679 [0,2,0,0,0,0|1,0,0]=3 20541 B11R0.3 CNCCOCCOCCOC 34a_100012028300_200000210301 [0,2,0,0,0,0|1,0,0]=3 20542 B11R0.3 CNCCOCCOCCOC 34a_100102657272_100013367474 [0,2,0,0,0,0|1,0,0]=3 20543 B11R0.3 CNCCOCCOCCOC 34a_200014138305_200000210301 [0,2,0,0,0,0|1,0,0]=3 20544 B11R0.3 CNCCOCCOCCOC 7a_106832991635_100013367474 [0,2,0,0,0,0|1,0,0]=3 20545 B11R0.3 CNCCOCCOCCO[13CH3] 34a_200014138305_200025704644 [0,2,0,0,0,0|1,0,0]=3 20546 B11R0.3 CNCCOCCOCCSC 34a_100000228057_100000212216 [0,2,0,0,0,0|1,0,0]=3 20547 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [0,2,0,0,0,0|1,0,0]=3 20548 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [0,2,0,0,0,0|1,0,0]=3 20549 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [0,2,0,0,0,0|1,0,0]=3 20550 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [0,2,0,0,0,0|1,0,0]=3 20551 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [0,2,0,0,0,0|1,0,0]=3 20552 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [0,2,0,0,0,0|1,0,0]=3 20553 B11R0.3 COCCCCCCNCCF 34a_100000724931_100011998445 [0,2,0,0,0,0|2,0,0]=4 20554 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [0,2,0,0,0,0|2,0,0]=4 20555 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [0,2,0,0,0,0|2,0,0]=4 20556 B11R0.3 COCCCCCCOCCBr 34a_100000211926_100011998445 [0,2,0,0,0,0|2,0,0]=4 20557 B11R0.3 COCCCCCCOCCF 34a_200012092642_100011217306 [0,2,0,0,0,0|2,0,0]=4 20558 B11R0.3 COCCCCCCOCCF 7a_200012092642_100011217306 [0,2,0,0,0,0|2,0,0]=4 20559 B11R0.3 COCCCCCCOCCN 34a_100000210304_100011998445 [0,2,0,0,0,0|2,0,0]=4 20560 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [0,2,0,0,0,0|2,0,0]=4 20561 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [0,2,0,0,0,0|2,0,0]=4 20562 B11R0.3 COCCCCCCOCSC 34a_200012092642_100011218213 [0,2,0,0,0,0|2,0,0]=4 20563 B11R0.3 COCCCCCCSCCF 62a_100011217306_100011998445 [0,2,0,0,0,0|2,0,0]=4 20564 B11R0.3 COCCCCCCSCCF 62a_100011998445_100011217306 [0,2,0,0,0,0|2,0,0]=4 20565 B11R0.3 COCCCCCCSCCO 62a_100000211926_100011998445 [0,2,0,0,0,0|2,0,0]=4 20566 B11R0.3 COCCCCCCSCCO 62a_100011998445_100000211926 [0,2,0,0,0,0|2,0,0]=4 20567 B11R0.3 COCCCCCCSCOC 62a_100000766300_100011998445 [0,2,0,0,0,0|2,0,0]=4 20568 B11R0.3 COCCCCCCSCOC 62a_100011998445_100000766300 [0,2,0,0,0,0|2,0,0]=4 20569 B11R0.3 COCCCCCCSCSC 62a_100011218213_100011998445 [0,2,0,0,0,0|2,0,0]=4 20570 B11R0.3 COCCCCCCSCSC 62a_100011998445_100011218213 [0,2,0,0,0,0|2,0,0]=4 20571 B11R0.3 COCCCCCNCCCF 2230a_100000747528_100011934791 [0,2,0,0,0,0|2,0,0]=4 20572 B11R0.3 COCCCCCNCCCF 34a_100000747528_100011934791 [0,2,0,0,0,0|2,0,0]=4 20573 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [0,2,0,0,0,0|2,0,0]=4 20574 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [0,2,0,0,0,0|2,0,0]=4 20575 B11R0.3 COCCCCCNCCOC 2230a_100000747528_100011201679 [0,2,0,0,0,0|2,0,0]=4 20576 B11R0.3 COCCCCCNCCOC 34a_100000747528_100011201679 [0,2,0,0,0,0|2,0,0]=4 20577 B11R0.3 COCCCCCNCCSC 2230a_100000747528_100000751147 [0,2,0,0,0,0|2,0,0]=4 20578 B11R0.3 COCCCCCNCCSC 34a_100000747528_100000212216 [0,2,0,0,0,0|2,0,0]=4 20579 B11R0.3 COCCCCNCCCCO 2230a_100000750430_100000730899 [0,2,0,0,0,0|1,0,0]=3 20580 B11R0.3 COCCCCNCCCCO 34a_100000750430_100000755781 [0,2,0,0,0,0|1,0,0]=3 20581 B11R0.3 COCCCCNCCCOC 34a_100150723488_100000755781 [0,2,0,0,0,0|1,0,0]=3 20582 B11R0.3 COCCCCNCCCSC 2230a_100000749238_100000730899 [0,2,0,0,0,0|1,0,0]=3 20583 B11R0.3 COCCCCOCC#CCCl 34a_200000047223_100000755781 [0,2,0,0,0,0|0,0,2]=4 20584 B11R0.3 COCCCCOCC#CCO 34a_100000740925_200000047223 [0,2,0,0,0,0|0,0,2]=4 20585 B11R0.3 COCCCCOCCCCBr 34a_100011216708_100000755781 [0,2,0,0,0,0|0,0,0]=2 20586 B11R0.3 COCCCCOCCCCCl 34a_100000210776_100000755781 [0,2,0,0,0,0|0,0,0]=2 20587 B11R0.3 COCCCCOCCCCCl 7a_100000210776_100000730899 [0,2,0,0,0,0|0,0,0]=2 20588 B11R0.3 COCCCCOCCCCF 34a_100000740925_100000729493 [0,2,0,0,0,0|0,0,0]=2 20589 B11R0.3 COCCCCOCCCCF 34a_100011995726_100000755781 [0,2,0,0,0,0|0,0,0]=2 20590 B11R0.3 COCCCCOCCCCF 7a_100011995726_100000730899 [0,2,0,0,0,0|0,0,0]=2 20591 B11R0.3 COCCCCOCCCCI 34a_200012148704_100000755781 [0,2,0,0,0,0|0,0,0]=2 20592 B11R0.3 COCCCCOCCCCN 34a_100000750430_100000755781 [0,2,0,0,0,0|0,0,0]=2 20593 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [0,2,0,0,0,0|0,0,0]=2 20594 B11R0.3 COCCCCOCCCOC 34a_100000740835_100000755781 [0,2,0,0,0,0|0,0,0]=2 20595 B11R0.3 COCCCCOCCCOC 34a_100000740925_100000740836 [0,2,0,0,0,0|0,0,0]=2 20596 B11R0.3 COCCCCOCCCSC 34a_100000690336_100000755781 [0,2,0,0,0,0|0,0,0]=2 20597 B11R0.3 COCCCCOCCCSC 7a_100000690336_100000730899 [0,2,0,0,0,0|0,0,0]=2 20598 B11R0.3 COCCCCSCCCC#N 62a_100000687738_100000730899 [0,2,0,0,0,0|0,1,1]=4 20599 B11R0.3 COCCCCSCCCC#N 62a_100000730899_100000687738 [0,2,0,0,0,0|0,1,1]=4 20600 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [0,2,0,0,0,0|0,1,1]=4 20601 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [0,2,0,0,0,0|0,1,1]=4 20602 B11R0.3 COCCCCSCCCCF 62a_100000729493_100000730899 [0,2,0,0,0,0|0,1,0]=3 20603 B11R0.3 COCCCCSCCCCF 62a_100000730899_100000729493 [0,2,0,0,0,0|0,1,0]=3 20604 B11R0.3 COCCCCSCCCCO 62a_100000210776_100000730899 [0,2,0,0,0,0|0,1,0]=3 20605 B11R0.3 COCCCCSCCCCO 62a_100000730899_100000210776 [0,2,0,0,0,0|0,1,0]=3 20606 B11R0.3 COCCCCSCCCOC 62a_100000709357_100000730899 [0,2,0,0,0,0|0,1,0]=3 20607 B11R0.3 COCCCCSCCCOC 62a_100000730899_100000709357 [0,2,0,0,0,0|0,1,0]=3 20608 B11R0.3 COCCCNCCCCCF 34a_100150723488_100000729378 [0,2,0,0,0,0|1,0,0]=3 20609 B11R0.3 COCCCNCCCCCO 2230a_100000762737_100000740836 [0,2,0,0,0,0|1,0,0]=3 20610 B11R0.3 COCCCNCCCCCO 34a_100000762737_100000740836 [0,2,0,0,0,0|1,0,0]=3 20611 B11R0.3 COCCCNCCCCCO 34a_100150723488_100000746330 [0,2,0,0,0,0|1,0,0]=3 20612 B11R0.3 COCCCNCCOCCO 2230a_100000211614_100000740836 [0,2,0,0,0,0|2,0,0]=4 20613 B11R0.3 COCCCNCCOCCO 34a_100000211614_100000740836 [0,2,0,0,0,0|2,0,0]=4 20614 B11R0.3 COCCCNCCOCCO 34a_100150723488_100000692535 [0,2,0,0,0,0|2,0,0]=4 20615 B11R0.3 COCCCNCCSCCO 2230a_100011219999_100000740836 [0,2,0,0,0,0|2,0,0]=4 20616 B11R0.3 COCCCOCCCCCBr 34a_100000746331_100000740836 [0,2,0,0,0,0|0,0,0]=2 20617 B11R0.3 COCCCOCCCCCBr 7a_100000746331_100000740836 [0,2,0,0,0,0|0,0,0]=2 20618 B11R0.3 COCCCOCCCCCCl 34a_100000746330_100000740836 [0,2,0,0,0,0|0,0,0]=2 20619 B11R0.3 COCCCOCCCCCCl 7a_100000746330_100000740836 [0,2,0,0,0,0|0,0,0]=2 20620 B11R0.3 COCCCOCCCCCF 34a_100000740835_100000729378 [0,2,0,0,0,0|0,0,0]=2 20621 B11R0.3 COCCCOCCCCCI 34a_200012148887_100000740836 [0,2,0,0,0,0|0,0,0]=2 20622 B11R0.3 COCCCOCCCCCI 7a_200012148887_100000740836 [0,2,0,0,0,0|0,0,0]=2 20623 B11R0.3 COCCCOCCCCCN 34a_100000762737_100000740836 [0,2,0,0,0,0|0,0,0]=2 20624 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [0,2,0,0,0,0|0,0,0]=2 20625 B11R0.3 COCCCOCCCCSC 34a_100011217163_100000740836 [0,2,0,0,0,0|0,0,0]=2 20626 B11R0.3 COCCCOCCCCSC 7a_100011217163_100000740836 [0,2,0,0,0,0|0,0,0]=2 20627 B11R0.3 COCCCOCCCOCF 34a_200011215475_100015361967 [0,2,0,0,0,0|1,0,0]=3 20628 B11R0.3 COCCCOCCCOCF 7a_200011215475_100015361967 [0,2,0,0,0,0|1,0,0]=3 20629 B11R0.3 COCCCOCCOCCBr 34a_100000692535_100000740836 [0,2,0,0,0,0|1,0,0]=3 20630 B11R0.3 COCCCOCCOCCBr 7a_100000692535_100000740836 [0,2,0,0,0,0|1,0,0]=3 20631 B11R0.3 COCCCOCCOCCCl 34a_100011215305_100000740836 [0,2,0,0,0,0|1,0,0]=3 20632 B11R0.3 COCCCOCCOCCCl 7a_100011215305_100000740836 [0,2,0,0,0,0|1,0,0]=3 20633 B11R0.3 COCCCOCCOCCF 34a_200015357709_100000740836 [0,2,0,0,0,0|1,0,0]=3 20634 B11R0.3 COCCCOCCOCCF 7a_200015357709_100000740836 [0,2,0,0,0,0|1,0,0]=3 20635 B11R0.3 COCCCOCCOCCI 34a_100012149058_100000740836 [0,2,0,0,0,0|1,0,0]=3 20636 B11R0.3 COCCCOCCOCCI 7a_100012149058_100000740836 [0,2,0,0,0,0|1,0,0]=3 20637 B11R0.3 COCCCOCCOCCN 34a_100000211614_100000740836 [0,2,0,0,0,0|1,0,0]=3 20638 B11R0.3 COCCCOCCOCCO 34a_100000740835_100000692535 [0,2,0,0,0,0|1,0,0]=3 20639 B11R0.3 COCCCSCCCCC#N 62a_100000709357_100000211819 [0,2,0,0,0,0|0,1,1]=4 20640 B11R0.3 COCCCSCCCCC#N 62a_100011219923_100000709357 [0,2,0,0,0,0|0,1,1]=4 20641 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [0,2,0,0,0,0|0,1,1]=4 20642 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [0,2,0,0,0,0|0,1,1]=4 20643 B11R0.3 COCCCSCCCCCF 62a_100000709357_100000729378 [0,2,0,0,0,0|0,1,0]=3 20644 B11R0.3 COCCCSCCCCCF 62a_100000729378_100000709357 [0,2,0,0,0,0|0,1,0]=3 20645 B11R0.3 COCCCSCCCCCO 62a_100000709357_100000746330 [0,2,0,0,0,0|0,1,0]=3 20646 B11R0.3 COCCCSCCCCCO 62a_100000746330_100000709357 [0,2,0,0,0,0|0,1,0]=3 20647 B11R0.3 COCCCSCCOCCO 62a_100000709357_100011215305 [0,2,0,0,0,0|1,1,0]=4 20648 B11R0.3 COCCCSCCOCCO 62a_100011215305_100000709357 [0,2,0,0,0,0|1,1,0]=4 20649 B11R0.3 COCCCSCOCCOC 62a_100000231047_100000709357 [0,2,0,0,0,0|1,0,0]=3 20650 B11R0.3 COCCCSCOCCOC 62a_100000709357_100000231047 [0,2,0,0,0,0|1,0,0]=3 20651 B11R0.3 COCCNCCCCCC#N 2230a_100000209980_100009813376 [0,2,0,0,0,0|2,0,0]=4 20652 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [0,2,0,0,0,0|2,0,0]=4 20653 B11R0.3 COCCNCCCCCCF 2230a_100000209980_100015922095 [0,2,0,0,0,0|2,0,0]=4 20654 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [0,2,0,0,0,0|2,0,0]=4 20655 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [0,2,0,0,0,0|2,0,0]=4 20656 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [0,2,0,0,0,0|2,0,0]=4 20657 B11R0.3 COCCNCCOCCOC 2230a_100000209980_100000695917 [0,2,0,0,0,0|1,0,0]=3 20658 B11R0.3 COCCNCCOCCOC 2230a_100000745349_100011201679 [0,2,0,0,0,0|1,0,0]=3 20659 B11R0.3 COCCNCCOCCOC 34a_100000745349_100011201679 [0,2,0,0,0,0|1,0,0]=3 20660 B11R0.3 COCCOCCCCCCBr 34a_100011215345_100011201679 [0,2,0,0,0,0|1,0,0]=3 20661 B11R0.3 COCCOCCCCCCBr 7a_100011215345_100000233755 [0,2,0,0,0,0|1,0,0]=3 20662 B11R0.3 COCCOCCCCCCCl 34a_100000766143_100011201679 [0,2,0,0,0,0|1,0,0]=3 20663 B11R0.3 COCCOCCCCCCCl 7a_100000766143_100000233755 [0,2,0,0,0,0|1,0,0]=3 20664 B11R0.3 COCCOCCCCCCF 34a_100000210237_100015922095 [0,2,0,0,0,0|1,0,0]=3 20665 B11R0.3 COCCOCCCCCCF 34a_100000732779_100011201679 [0,2,0,0,0,0|1,0,0]=3 20666 B11R0.3 COCCOCCCCCCF 7a_100000732779_100000233755 [0,2,0,0,0,0|1,0,0]=3 20667 B11R0.3 COCCOCCCCCCN 34a_100000686447_100011201679 [0,2,0,0,0,0|1,0,0]=3 20668 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [0,2,0,0,0,0|1,0,0]=3 20669 B11R0.3 COCCOCCCNCC#N 2230a_100000206027_100011215382 [0,2,0,0,0,0|1,0,1]=4 20670 B11R0.3 COCCOCCCNCC=O 2230a_100000206027_200015260668 [0,2,0,0,0,0|1,0,1]=4 20671 B11R0.3 COCCOCCCNCC=O 34a_100000206027_200009817547 [0,2,0,0,0,0|1,0,1]=4 20672 B11R0.3 COCCOCCCNCCF 2230a_100000206027_100011217306 [0,2,0,0,0,0|1,0,0]=3 20673 B11R0.3 COCCOCCCNCCF 34a_100000206027_100011217306 [0,2,0,0,0,0|1,0,0]=3 20674 B11R0.3 COCCOCCCNCCF 34a_100000724931_100011216529 [0,2,0,0,0,0|1,0,0]=3 20675 B11R0.3 COCCOCCCNCCO 2230a_100000206027_100000211926 [0,2,0,0,0,0|1,0,0]=3 20676 B11R0.3 COCCOCCCNCCO 2230a_100016997473_100011216529 [0,2,0,0,0,0|1,0,0]=3 20677 B11R0.3 COCCOCCCNCCO 34a_100000206027_100000211926 [0,2,0,0,0,0|1,0,0]=3 20678 B11R0.3 COCCOCCCNCCO 34a_100016990907_100011216529 [0,2,0,0,0,0|1,0,0]=3 20679 B11R0.3 COCCOCCCNCOC 2230a_100000206027_100000766300 [0,2,0,0,0,0|1,0,0]=3 20680 B11R0.3 COCCOCCCNCSC 2230a_100000206027_100011218213 [0,2,0,0,0,0|1,0,0]=3 20681 B11R0.3 COCCOCCCNCSC 34a_100000206027_100011218213 [0,2,0,0,0,0|1,0,0]=3 20682 B11R0.3 COCCOCCCOCCBr 34a_100000211926_100011216529 [0,2,0,0,0,0|1,0,0]=3 20683 B11R0.3 COCCOCCCOCCN 34a_100000210304_100011216529 [0,2,0,0,0,0|1,0,0]=3 20684 B11R0.3 COCCOCCCSCC#N 62a_100011215382_100011216529 [0,2,0,0,0,0|1,0,1]=4 20685 B11R0.3 COCCOCCCSCC#N 62a_100011216529_100011215382 [0,2,0,0,0,0|1,0,1]=4 20686 B11R0.3 COCCOCCCSCC=O 62a_100011216529_200015260668 [0,2,0,0,0,0|1,0,1]=4 20687 B11R0.3 COCCOCCCSCC=O 62a_200015260668_100011216529 [0,2,0,0,0,0|1,0,1]=4 20688 B11R0.3 COCCOCCCSCCF 62a_100011216529_100011217306 [0,2,0,0,0,0|1,0,0]=3 20689 B11R0.3 COCCOCCCSCCF 62a_100011217306_100011216529 [0,2,0,0,0,0|1,0,0]=3 20690 B11R0.3 COCCOCCCSCCO 62a_100000211926_100011216529 [0,2,0,0,0,0|1,0,0]=3 20691 B11R0.3 COCCOCCCSCCO 62a_100011216529_100000211926 [0,2,0,0,0,0|1,0,0]=3 20692 B11R0.3 COCCOCCCSCOC 62a_100000766300_100011216529 [0,2,0,0,0,0|1,0,0]=3 20693 B11R0.3 COCCOCCCSCOC 62a_100011216529_100000766300 [0,2,0,0,0,0|1,0,0]=3 20694 B11R0.3 COCCOCCCSCSC 62a_100011216529_100011218213 [0,2,0,0,0,0|1,0,0]=3 20695 B11R0.3 COCCOCCCSCSC 62a_100011218213_100011216529 [0,2,0,0,0,0|1,0,0]=3 20696 B11R0.3 COCCOCCNCCC#N 2230a_100000745349_100011215226 [0,2,0,0,0,0|1,0,1]=4 20697 B11R0.3 COCCOCCNCCCF 2230a_100000745349_100011934791 [0,2,0,0,0,0|1,0,0]=3 20698 B11R0.3 COCCOCCNCCCF 2230a_100015189416_100000695917 [0,2,0,0,0,0|1,0,0]=3 20699 B11R0.3 COCCOCCNCCCF 34a_100000745349_100011934791 [0,2,0,0,0,0|1,0,0]=3 20700 B11R0.3 COCCOCCNCCCF 34a_100015189416_100000695917 [0,2,0,0,0,0|1,0,0]=3 20701 B11R0.3 COCCOCCNCCCO 2230a_100000745349_100000230001 [0,2,0,0,0,0|1,0,0]=3 20702 B11R0.3 COCCOCCNCCCO 34a_100000745349_100000230001 [0,2,0,0,0,0|1,0,0]=3 20703 B11R0.3 COCCOCCNCCSC 2230a_100000745349_100000751147 [0,2,0,0,0,0|1,0,0]=3 20704 B11R0.3 COCCOCCNCCSC 2230a_100020590264_100000695917 [0,2,0,0,0,0|1,0,0]=3 20705 B11R0.3 COCCOCCNCCSC 34a_100000745349_100000212216 [0,2,0,0,0,0|1,0,0]=3 20706 B11R0.3 COCCOCCOCCC#N 7a_100011215163_100000184422 [0,2,0,0,0,0|1,0,1]=4 20707 B11R0.3 COCCOCCOCCCBr 34a_100011217188_100000695917 [0,2,0,0,0,0|1,0,0]=3 20708 B11R0.3 COCCOCCOCCCCl 34a_100000230001_100000695917 [0,2,0,0,0,0|1,0,0]=3 20709 B11R0.3 COCCOCCOCCCF 34a_100000759539_100000695917 [0,2,0,0,0,0|1,0,0]=3 20710 B11R0.3 COCCOCCOCCCF 34a_100011215163_100011934791 [0,2,0,0,0,0|1,0,0]=3 20711 B11R0.3 COCCOCCOCCCF 7a_100011215163_100011934791 [0,2,0,0,0,0|1,0,0]=3 20712 B11R0.3 COCCOCCOCCCN 34a_100000182051_100000695917 [0,2,0,0,0,0|1,0,0]=3 20713 B11R0.3 COCCOCCOCCCN 34a_100011996194_200000210301 [0,2,0,0,0,0|1,0,0]=3 20714 B11R0.3 COCCOCCOCCCO 34a_100011215163_100000230001 [0,2,0,0,0,0|1,0,0]=3 20715 B11R0.3 COCCOCCOCCCO 7a_100011215163_100011215043 [0,2,0,0,0,0|1,0,0]=3 20716 B11R0.3 COCCOCCOCCN[13CH3] 2230a_100012028300_200025704644 [0,2,0,0,0,0|1,0,0]=3 20717 B11R0.3 COCCOCCOCCN[13CH3] 34a_100012028300_200025704644 [0,2,0,0,0,0|1,0,0]=3 20718 B11R0.3 COCCOCCOCCOC 34a_100000210237_100000695917 [0,2,0,0,0,0|1,0,0]=3 20719 B11R0.3 COCCOCCOCCOC 34a_100000688194_200000210301 [0,2,0,0,0,0|1,0,0]=3 20720 B11R0.3 COCCOCCOCCOC 34a_100011215163_100011201679 [0,2,0,0,0,0|1,0,0]=3 20721 B11R0.3 COCCOCCOCCOC 34a_100138415774_100013367474 [0,2,0,0,0,0|1,0,0]=3 20722 B11R0.3 COCCOCCOCCOC 7a_100000688194_200000210301 [0,2,0,0,0,0|1,0,0]=3 20723 B11R0.3 COCCOCCOCCOC 7a_100011215163_100000233755 [0,2,0,0,0,0|1,0,0]=3 20724 B11R0.3 COCCOCCOCCON 34a_100000700252_100000695917 [0,2,0,0,0,0|2,0,0]=4 20725 B11R0.3 COCCOCCOCCO[13CH3] 34a_100000688194_200025704644 [0,2,0,0,0,0|1,0,0]=3 20726 B11R0.3 COCCOCCOCCO[13CH3] 7a_100000688194_200025704644 [0,2,0,0,0,0|1,0,0]=3 20727 B11R0.3 COCCOCCOCCSC 34a_100000230434_100000695917 [0,2,0,0,0,0|1,0,0]=3 20728 B11R0.3 COCCOCCOCCSC 34a_100011215163_100000212216 [0,2,0,0,0,0|1,0,0]=3 20729 B11R0.3 COCCOCCOCCSC 62a_100013367474_200000210301 [0,2,0,0,0,0|1,0,0]=3 20730 B11R0.3 COCCOCCOCCSC 62a_200000210301_100013367474 [0,2,0,0,0,0|1,0,0]=3 20731 B11R0.3 COCCOCCOCCSC 7a_100000230434_100000695917 [0,2,0,0,0,0|1,0,0]=3 20732 B11R0.3 COCCOCCOCCSC 7a_100011215163_100000212216 [0,2,0,0,0,0|1,0,0]=3 20733 B11R0.3 COCCOCCOCCS[13CH3] 62a_100013367474_200025704644 [0,2,0,0,0,0|1,0,0]=3 20734 B11R0.3 COCCOCCOCCS[13CH3] 62a_200025704644_100013367474 [0,2,0,0,0,0|1,0,0]=3 20735 B11R0.3 COCCOCCSCCC#N 62a_100000695917_100011215226 [0,2,0,0,0,0|1,0,1]=4 20736 B11R0.3 COCCOCCSCCC#N 62a_100011215226_100000695917 [0,2,0,0,0,0|1,0,1]=4 20737 B11R0.3 COCCOCCSCCCF 62a_100000695917_100011934791 [0,2,0,0,0,0|1,0,0]=3 20738 B11R0.3 COCCOCCSCCCF 62a_100011934791_100000695917 [0,2,0,0,0,0|1,0,0]=3 20739 B11R0.3 COCCOCCSCCCO 62a_100000695917_100011215043 [0,2,0,0,0,0|1,0,0]=3 20740 B11R0.3 COCCOCCSCCCO 62a_100011215043_100000695917 [0,2,0,0,0,0|1,0,0]=3 20741 B11R0.3 COCCOCCSCCOC 62a_100000233755_100000695917 [0,2,0,0,0,0|1,0,0]=3 20742 B11R0.3 COCCOCCSCCOC 62a_100000695917_100000233755 [0,2,0,0,0,0|1,0,0]=3 20743 B11R0.3 COCCOCCSCCSC 62a_100000212216_100000695917 [0,2,0,0,0,0|1,0,0]=3 20744 B11R0.3 COCCOCCSCCSC 62a_100000695917_100000751147 [0,2,0,0,0,0|1,0,0]=3 20745 B11R0.3 COCCOCNCCCCO 2230a_100000750430_100000231047 [0,2,0,0,0,0|1,0,0]=3 20746 B11R0.3 COCCOCNCCCSC 2230a_100000749238_100000231047 [0,2,0,0,0,0|1,0,0]=3 20747 B11R0.3 COCCOCSCCCC#N 62a_100000231047_100000687738 [0,2,0,0,0,0|1,0,1]=4 20748 B11R0.3 COCCOCSCCCC#N 62a_100000687738_100000231047 [0,2,0,0,0,0|1,0,1]=4 20749 B11R0.3 COCCOCSCCCC=O 62a_100000231047_200011292268 [0,2,0,0,0,0|1,0,1]=4 20750 B11R0.3 COCCOCSCCCC=O 62a_200011292268_100000231047 [0,2,0,0,0,0|1,0,1]=4 20751 B11R0.3 COCCOCSCCCCF 62a_100000231047_100000729493 [0,2,0,0,0,0|1,0,0]=3 20752 B11R0.3 COCCOCSCCCCF 62a_100000729493_100000231047 [0,2,0,0,0,0|1,0,0]=3 20753 B11R0.3 COCCOCSCCCCO 62a_100000210776_100000231047 [0,2,0,0,0,0|1,0,0]=3 20754 B11R0.3 COCCOCSCCCCO 62a_100000231047_100000210776 [0,2,0,0,0,0|1,0,0]=3 20755 B11R0.3 COCCSCCCCCC#N 62a_100000233755_100009813376 [0,2,0,0,0,0|1,1,0]=4 20756 B11R0.3 COCCSCCCCCC#N 62a_100009813376_100000233755 [0,2,0,0,0,0|1,1,0]=4 20757 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [0,2,0,0,0,0|1,1,0]=4 20758 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [0,2,0,0,0,0|1,1,0]=4 20759 B11R0.3 COCCSCCCCCCF 62a_100000233755_100015922095 [0,2,0,0,0,0|1,1,0]=4 20760 B11R0.3 COCCSCCCCCCF 62a_100015922095_100000233755 [0,2,0,0,0,0|1,1,0]=4 20761 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [0,2,0,0,0,0|1,1,0]=4 20762 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [0,2,0,0,0,0|1,1,0]=4 20763 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [0,2,0,0,0,0|2,0,0]=4 20764 B11R0.3 COCNCCCOCCCO 2230a_100011310245_100000766300 [0,2,0,0,0,0|1,0,0]=3 20765 B11R0.3 COCSCCCCCCCO 62a_100000760002_100000766300 [0,2,0,0,0,0|2,0,0]=4 20766 B11R0.3 COCSCCCCCCCO 62a_100000766300_100000760002 [0,2,0,0,0,0|2,0,0]=4 20767 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [0,2,0,0,0,0|1,0,0]=3 20768 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [0,2,0,0,0,0|1,0,0]=3 20769 B11R0.3 CSCCCCOCC#CCO 34a_100011217163_200000047223 [0,2,0,0,0,0|0,0,2]=4 20770 B11R0.3 CSCCCCOCC#CCO 7a_100011217163_200000047223 [0,2,0,0,0,0|0,0,2]=4 20771 B11R0.3 CSCCCCOCCCC#N 7a_100011217163_100000687738 [0,2,0,0,0,0|0,0,1]=3 20772 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [0,2,0,0,0,0|0,0,1]=3 20773 B11R0.3 CSCCCCOCCCCF 34a_100011217163_100000729493 [0,2,0,0,0,0|0,0,0]=2 20774 B11R0.3 CSCCCCOCCCCF 7a_100011217163_100000729493 [0,2,0,0,0,0|0,0,0]=2 20775 B11R0.3 CSCCCCOCCCCO 34a_100011217163_100011216708 [0,2,0,0,0,0|0,0,0]=2 20776 B11R0.3 CSCCCCOCCCCO 7a_100011217163_100000210776 [0,2,0,0,0,0|0,0,0]=2 20777 B11R0.3 CSCCCNCCCCC#N 2230a_100000749238_100000211819 [0,2,0,0,0,0|1,0,1]=4 20778 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [0,2,0,0,0,0|1,0,1]=4 20779 B11R0.3 CSCCCNCCCCCF 2230a_100000749238_100000729378 [0,2,0,0,0,0|1,0,0]=3 20780 B11R0.3 CSCCCNCCCCCO 2230a_100000749238_100000746330 [0,2,0,0,0,0|1,0,0]=3 20781 B11R0.3 CSCCCNCCOCCO 2230a_100000749238_100011215305 [0,2,0,0,0,0|2,0,0]=4 20782 B11R0.3 CSCCCOCCCCC#N 7a_100000690336_100000211819 [0,2,0,0,0,0|0,0,1]=3 20783 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [0,2,0,0,0,0|0,0,1]=3 20784 B11R0.3 CSCCCOCCCCCF 34a_100000690336_100000729378 [0,2,0,0,0,0|0,0,0]=2 20785 B11R0.3 CSCCCOCCCCCF 7a_100000690336_100000729378 [0,2,0,0,0,0|0,0,0]=2 20786 B11R0.3 CSCCCOCCCCCO 34a_100000690336_100000746330 [0,2,0,0,0,0|0,0,0]=2 20787 B11R0.3 CSCCCOCCCCCO 7a_100000690336_100000746330 [0,2,0,0,0,0|0,0,0]=2 20788 B11R0.3 CSCCCOCCOCC#N 7a_100000690336_200000047693 [0,2,0,0,0,0|1,0,1]=4 20789 B11R0.3 CSCCCOCCOCCO 34a_100000690336_100000692535 [0,2,0,0,0,0|1,0,0]=3 20790 B11R0.3 CSCCCOCCOCCO 7a_100000690336_100011215305 [0,2,0,0,0,0|1,0,0]=3 20791 B11R0.3 CSCCNCCCCCC#N 2230a_100020590264_100009813376 [0,2,0,0,0,0|2,0,0]=4 20792 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [0,2,0,0,0,0|2,0,0]=4 20793 B11R0.3 CSCCNCCCCCCF 2230a_100020590264_100015922095 [0,2,0,0,0,0|2,0,0]=4 20794 B11R0.3 CSCCNCCCCCCO 2230a_100000686447_100000751147 [0,2,0,0,0,0|2,0,0]=4 20795 B11R0.3 CSCCNCCCCCCO 2230a_100020590264_100000766143 [0,2,0,0,0,0|2,0,0]=4 20796 B11R0.3 CSCCNCCCCCCO 34a_100000686447_100000212216 [0,2,0,0,0,0|2,0,0]=4 20797 B11R0.3 CSCCOCCCCCC#N 7a_100000230434_100009813376 [0,2,0,0,0,0|1,0,0]=3 20798 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [0,2,0,0,0,0|1,0,0]=3 20799 B11R0.3 CSCCOCCCCCCBr 34a_100011215345_100000212216 [0,2,0,0,0,0|1,0,0]=3 20800 B11R0.3 CSCCOCCCCCCBr 7a_100011215345_100000212216 [0,2,0,0,0,0|1,0,0]=3 20801 B11R0.3 CSCCOCCCCCCCl 34a_100000766143_100000212216 [0,2,0,0,0,0|1,0,0]=3 20802 B11R0.3 CSCCOCCCCCCCl 7a_100000766143_100000212216 [0,2,0,0,0,0|1,0,0]=3 20803 B11R0.3 CSCCOCCCCCCF 34a_100000230434_100015922095 [0,2,0,0,0,0|1,0,0]=3 20804 B11R0.3 CSCCOCCCCCCF 34a_100000732779_100000212216 [0,2,0,0,0,0|1,0,0]=3 20805 B11R0.3 CSCCOCCCCCCF 7a_100000230434_100015922095 [0,2,0,0,0,0|1,0,0]=3 20806 B11R0.3 CSCCOCCCCCCF 7a_100000732779_100000212216 [0,2,0,0,0,0|1,0,0]=3 20807 B11R0.3 CSCCOCCCCCCN 34a_100000686447_100000212216 [0,2,0,0,0,0|1,0,0]=3 20808 B11R0.3 CSCCOCCCCCCO 34a_100000230434_100000766143 [0,2,0,0,0,0|1,0,0]=3 20809 B11R0.3 CSCCOCCCCCCO 7a_100000230434_100000766143 [0,2,0,0,0,0|1,0,0]=3 20810 B11R0.3 CSCCSCCCCCC#N 62a_100000212216_100009813376 [0,2,0,0,0,0|1,1,0]=4 20811 B11R0.3 CSCCSCCCCCC#N 62a_100009813376_100000751147 [0,2,0,0,0,0|1,1,0]=4 20812 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [0,2,0,0,0,0|1,1,0]=4 20813 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [0,2,0,0,0,0|1,1,0]=4 20814 B11R0.3 CSCCSCCCCCCF 62a_100000212216_100015922095 [0,2,0,0,0,0|1,1,0]=4 20815 B11R0.3 CSCCSCCCCCCF 62a_100015922095_100000751147 [0,2,0,0,0,0|1,1,0]=4 20816 B11R0.3 CSCCSCCCCCCO 62a_100000212216_100000766143 [0,2,0,0,0,0|1,1,0]=4 20817 B11R0.3 CSCCSCCCCCCO 62a_100000766143_100000751147 [0,2,0,0,0,0|1,1,0]=4 20818 B11R0.3 CSCNCCCCCCCO 2230a_100011996573_100011218213 [0,2,0,0,0,0|2,0,0]=4 20819 B11R0.3 CSCNCCCCCCCO 34a_100011996573_100011218213 [0,2,0,0,0,0|2,0,0]=4 20820 B11R0.3 CSCNCCCOCCCO 2230a_100011310245_100011218213 [0,2,0,0,0,0|1,0,0]=3 20821 B11R0.3 CSCNCCCOCCCO 34a_100011310245_100011218213 [0,2,0,0,0,0|1,0,0]=3 20822 B11R0.3 CSCOCCCCCCCBr 34a_100000760002_100011218213 [0,2,0,0,0,0|2,0,0]=4 20823 B11R0.3 CSCOCCCCCCCN 34a_100011996573_100011218213 [0,2,0,0,0,0|2,0,0]=4 20824 B11R0.3 CSCOCCCOCCCN 34a_100011310245_100011218213 [0,2,0,0,0,0|1,0,0]=3 20825 B11R0.3 CSCSCCCCCCCO 62a_100000760002_100011218213 [0,2,0,0,0,0|2,0,0]=4 20826 B11R0.3 CSCSCCCCCCCO 62a_100011218213_100000760002 [0,2,0,0,0,0|2,0,0]=4 20827 B11R0.3 FCCCCCCNCCCF 2230a_100015189416_100015922095 [0,2,0,0,0,0|2,0,0]=4 20828 B11R0.3 FCCCCCCNCCCF 34a_100015189416_100015922095 [0,2,0,0,0,0|2,0,0]=4 20829 B11R0.3 FCCCCCCOCCCBr 34a_100011217188_100015922095 [0,2,0,0,0,0|1,0,0]=3 20830 B11R0.3 FCCCCCCOCCCCl 34a_100000230001_100015922095 [0,2,0,0,0,0|1,0,0]=3 20831 B11R0.3 FCCCCCCOCCCF 34a_100000732779_100011934791 [0,2,0,0,0,0|1,0,0]=3 20832 B11R0.3 FCCCCCCOCCCF 34a_100000759539_100015922095 [0,2,0,0,0,0|1,0,0]=3 20833 B11R0.3 FCCCCCCOCCCF 7a_100000732779_100011934791 [0,2,0,0,0,0|1,0,0]=3 20834 B11R0.3 FCCCCCCSCCCF 62a_100011934791_100015922095 [0,2,0,0,0,0|1,1,0]=4 20835 B11R0.3 FCCCCCCSCCCF 62a_100015922095_100011934791 [0,2,0,0,0,0|1,1,0]=4 20836 B11R0.3 FCCCCCOCC#CCCl 34a_200000047223_100000729378 [0,2,0,0,0,0|0,0,2]=4 20837 B11R0.3 FCCCCCOCCCCBr 34a_100011216708_100000729378 [0,2,0,0,0,0|0,0,0]=2 20838 B11R0.3 FCCCCCOCCCCCl 34a_100000210776_100000729378 [0,2,0,0,0,0|0,0,0]=2 20839 B11R0.3 FCCCCCOCCCCCl 7a_100000210776_100000729378 [0,2,0,0,0,0|0,0,0]=2 20840 B11R0.3 FCCCCCOCCCCF 34a_100011995726_100000729378 [0,2,0,0,0,0|0,0,0]=2 20841 B11R0.3 FCCCCCOCCCCF 7a_100011995726_100000729378 [0,2,0,0,0,0|0,0,0]=2 20842 B11R0.3 FCCCCCOCCCCI 34a_200012148704_100000729378 [0,2,0,0,0,0|0,0,0]=2 20843 B11R0.3 FCCCCCSCCCCF 62a_100000729378_100000729493 [0,2,0,0,0,0|0,1,0]=3 20844 B11R0.3 FCCCCCSCCCCF 62a_100000729493_100000729378 [0,2,0,0,0,0|0,1,0]=3 20845 B11R0.3 FCCCCOCCCCCBr 34a_100000746331_100000729493 [0,2,0,0,0,0|0,0,0]=2 20846 B11R0.3 FCCCCOCCCCCBr 7a_100000746331_100000729493 [0,2,0,0,0,0|0,0,0]=2 20847 B11R0.3 FCCCCOCCCCCCl 34a_100000746330_100000729493 [0,2,0,0,0,0|0,0,0]=2 20848 B11R0.3 FCCCCOCCCCCCl 7a_100000746330_100000729493 [0,2,0,0,0,0|0,0,0]=2 20849 B11R0.3 FCCCCOCCCCCI 34a_200012148887_100000729493 [0,2,0,0,0,0|0,0,0]=2 20850 B11R0.3 FCCCCOCCCCCI 7a_200012148887_100000729493 [0,2,0,0,0,0|0,0,0]=2 20851 B11R0.3 FCCCCOCCOCCBr 34a_100000692535_100000729493 [0,2,0,0,0,0|1,0,0]=3 20852 B11R0.3 FCCCCOCCOCCBr 7a_100000692535_100000729493 [0,2,0,0,0,0|1,0,0]=3 20853 B11R0.3 FCCCCOCCOCCCl 34a_100011215305_100000729493 [0,2,0,0,0,0|1,0,0]=3 20854 B11R0.3 FCCCCOCCOCCCl 7a_100011215305_100000729493 [0,2,0,0,0,0|1,0,0]=3 20855 B11R0.3 FCCCCOCCOCCF 34a_200015357709_100000729493 [0,2,0,0,0,0|1,0,0]=3 20856 B11R0.3 FCCCCOCCOCCF 7a_200015357709_100000729493 [0,2,0,0,0,0|1,0,0]=3 20857 B11R0.3 FCCCCOCCOCCI 34a_100012149058_100000729493 [0,2,0,0,0,0|1,0,0]=3 20858 B11R0.3 FCCCCOCCOCCI 7a_100012149058_100000729493 [0,2,0,0,0,0|1,0,0]=3 20859 B11R0.3 FCCCOCCCCCCBr 34a_100011215345_100011934791 [0,2,0,0,0,0|1,0,0]=3 20860 B11R0.3 FCCCOCCCCCCBr 7a_100011215345_100011934791 [0,2,0,0,0,0|1,0,0]=3 20861 B11R0.3 FCCCOCCCCCCCl 34a_100000766143_100011934791 [0,2,0,0,0,0|1,0,0]=3 20862 B11R0.3 FCCCOCCCCCCCl 7a_100000766143_100011934791 [0,2,0,0,0,0|1,0,0]=3 20863 B11R0.3 FCCOCCCCCCCBr 34a_100000760002_100011217306 [0,2,0,0,0,0|2,0,0]=4 20864 B11R0.3 FCCOCCCCCCCBr 7a_100000760002_100011217306 [0,2,0,0,0,0|2,0,0]=4 20865 B11R0.3 FCOCCCCCCCCBr 34a_100009813846_100015361967 [0,2,0,0,0,0|2,0,0]=4 20866 B11R0.3 FCOCCCCCCCCBr 7a_100009813846_100015361967 [0,2,0,0,0,0|2,0,0]=4 20867 B11R0.3 FCOCCCCCCCCCl 34a_100000033203_100015361967 [0,2,0,0,0,0|2,0,0]=4 20868 B11R0.3 FCOCCCCCCCCCl 7a_100000033203_100015361967 [0,2,0,0,0,0|2,0,0]=4 20869 B11R0.3 FCOCCOCCOCCBr 34a_100010132937_100015361967 [0,2,0,0,0,0|2,0,0]=4 20870 B11R0.3 FCOCCOCCOCCBr 7a_100010132937_100015361967 [0,2,0,0,0,0|2,0,0]=4 20871 B11R0.3 FCOCCOCCOCCCl 34a_100000032323_100015361967 [0,2,0,0,0,0|2,0,0]=4 20872 B11R0.3 FCOCCOCCOCCCl 7a_100000032323_100015361967 [0,2,0,0,0,0|2,0,0]=4 20873 B11R0.3 N#CCCCCCNCCCF 2230a_100015189416_100009813376 [0,2,0,0,0,0|2,0,0]=4 20874 B11R0.3 N#CCCCCCSCCCF 62a_100009813376_100011934791 [0,2,0,0,0,0|1,1,0]=4 20875 B11R0.3 N#CCCCCCSCCCF 62a_100011934791_100009813376 [0,2,0,0,0,0|1,1,0]=4 20876 B11R0.3 N#CCCCCCSCCCO 62a_100009813376_100011215043 [0,2,0,0,0,0|1,1,0]=4 20877 B11R0.3 N#CCCCCCSCCCO 62a_100011215043_100009813376 [0,2,0,0,0,0|1,1,0]=4 20878 B11R0.3 N#CCCCCNCCCCO 2230a_100000750430_100000211819 [0,2,0,0,0,0|1,0,1]=4 20879 B11R0.3 N#CCCCCOCCCCCl 7a_100000210776_100000211819 [0,2,0,0,0,0|0,0,1]=3 20880 B11R0.3 N#CCCCCOCCCCF 7a_100011995726_100000211819 [0,2,0,0,0,0|0,0,1]=3 20881 B11R0.3 N#CCCCCSCCCCF 62a_100000729493_100000211819 [0,2,0,0,0,0|0,1,1]=4 20882 B11R0.3 N#CCCCCSCCCCF 62a_100011219923_100000729493 [0,2,0,0,0,0|0,1,1]=4 20883 B11R0.3 N#CCCCCSCCCCO 62a_100000210776_100000211819 [0,2,0,0,0,0|0,1,1]=4 20884 B11R0.3 N#CCCCCSCCCCO 62a_100011219923_100000210776 [0,2,0,0,0,0|0,1,1]=4 20885 B11R0.3 N#CCCCNCCCCCO 2230a_100000762737_100000687738 [0,2,0,0,0,0|1,0,1]=4 20886 B11R0.3 N#CCCCOCCCCCBr 7a_100000746331_100000687738 [0,2,0,0,0,0|0,0,1]=3 20887 B11R0.3 N#CCCCOCCCCCCl 7a_100000746330_100000687738 [0,2,0,0,0,0|0,0,1]=3 20888 B11R0.3 N#CCCCOCCCCCI 7a_200012148887_100000687738 [0,2,0,0,0,0|0,0,1]=3 20889 B11R0.3 N#CCCCOCCOCCBr 7a_100000692535_100000687738 [0,2,0,0,0,0|1,0,1]=4 20890 B11R0.3 N#CCCCOCCOCCCl 7a_100011215305_100000687738 [0,2,0,0,0,0|1,0,1]=4 20891 B11R0.3 N#CCCCOCCOCCF 7a_200015357709_100000687738 [0,2,0,0,0,0|1,0,1]=4 20892 B11R0.3 N#CCCCOCCOCCI 7a_100012149058_100000687738 [0,2,0,0,0,0|1,0,1]=4 20893 B11R0.3 N#CCCCSCCCCCF 62a_100000687738_100000729378 [0,2,0,0,0,0|0,1,1]=4 20894 B11R0.3 N#CCCCSCCCCCF 62a_100000729378_100000687738 [0,2,0,0,0,0|0,1,1]=4 20895 B11R0.3 N#CCCCSCCCCCO 62a_100000687738_100000746330 [0,2,0,0,0,0|0,1,1]=4 20896 B11R0.3 N#CCCCSCCCCCO 62a_100000746330_100000687738 [0,2,0,0,0,0|0,1,1]=4 20897 B11R0.3 N#CCCOCCCCCCBr 7a_100011215345_100000184422 [0,2,0,0,0,0|1,0,1]=4 20898 B11R0.3 N#CCCOCCCCCCCl 7a_100000766143_100000184422 [0,2,0,0,0,0|1,0,1]=4 20899 B11R0.3 N#CCCOCCCCCCF 7a_100000732779_100000184422 [0,2,0,0,0,0|1,0,1]=4 20900 B11R0.3 N#CCNCCCOCCCO 2230a_100011310245_100011215382 [0,2,0,0,0,0|1,0,1]=4 20901 B11R0.3 N#CCOCCOCCCCCl 7a_100000210776_200000047693 [0,2,0,0,0,0|1,0,1]=4 20902 B11R0.3 N#CCOCCOCCCCF 7a_100011995726_200000047693 [0,2,0,0,0,0|1,0,1]=4 20903 B11R0.3 NCCCCCCCCOCF 34a_102515433106_100015361967 [0,2,0,0,0,0|2,0,0]=4 20904 B11R0.3 NCCCCCCCOCCF 34a_100011996573_100011217306 [0,2,0,0,0,0|2,0,0]=4 20905 B11R0.3 NCCCCCCCOCCO 34a_100011996573_100000211926 [0,2,0,0,0,0|2,0,0]=4 20906 B11R0.3 NCCCCCCOCCCF 34a_100000686447_100011934791 [0,2,0,0,0,0|1,0,0]=3 20907 B11R0.3 NCCCCCCOCCCO 34a_100000686447_100000230001 [0,2,0,0,0,0|1,0,0]=3 20908 B11R0.3 NCCCCCOCC#CCO 34a_100000762737_200000047223 [0,2,0,0,0,0|0,0,2]=4 20909 B11R0.3 NCCCCCOCCCCF 34a_100000762737_100000729493 [0,2,0,0,0,0|0,0,0]=2 20910 B11R0.3 NCCCCCOCCCCO 34a_100000762737_100011216708 [0,2,0,0,0,0|0,0,0]=2 20911 B11R0.3 NCCCCOCCCCCF 34a_100000750430_100000729378 [0,2,0,0,0,0|0,0,0]=2 20912 B11R0.3 NCCCCOCCCCCO 34a_100000750430_100000746330 [0,2,0,0,0,0|0,0,0]=2 20913 B11R0.3 NCCCCOCCOCCO 34a_100000750430_100000692535 [0,2,0,0,0,0|1,0,0]=3 20914 B11R0.3 NCCCOCCCCCCF 34a_100000182051_100015922095 [0,2,0,0,0,0|1,0,0]=3 20915 B11R0.3 NCCCOCCCCCCO 34a_100000182051_100000766143 [0,2,0,0,0,0|1,0,0]=3 20916 B11R0.3 NCCCOCCCOCC=O 34a_100011310245_200009817547 [0,2,0,0,0,0|1,0,1]=4 20917 B11R0.3 NCCCOCCCOCCF 34a_100011310245_100011217306 [0,2,0,0,0,0|1,0,0]=3 20918 B11R0.3 NCCCOCCCOCCO 34a_100011310245_100000211926 [0,2,0,0,0,0|1,0,0]=3 20919 B11R0.3 NCCOCCCCCCCO 34a_100000210304_100000760002 [0,2,0,0,0,0|2,0,0]=4 20920 B11R0.3 NCCOCCOCCCCF 34a_100000211614_100000729493 [0,2,0,0,0,0|1,0,0]=3 20921 B11R0.3 NCCOCCOCCCCO 34a_100000211614_100011216708 [0,2,0,0,0,0|1,0,0]=3 20922 B11R0.3 NCCOCCOCCOCF 34a_100011998139_100015361967 [0,2,0,0,0,0|2,0,0]=4 20923 B11R0.3 NOCCOCCCCCCF 34a_100000700252_100015922095 [0,2,0,0,0,0|2,0,0]=4 20924 B11R0.3 NOCCOCCCCCCO 34a_100000700252_100000766143 [0,2,0,0,0,0|2,0,0]=4 20925 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [0,2,0,0,0,0|2,0,0]=4 20926 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [0,2,0,0,0,0|1,1,0]=4 20927 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [0,2,0,0,0,0|1,1,0]=4 20928 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [0,2,0,0,0,0|1,1,0]=4 20929 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [0,2,0,0,0,0|1,1,0]=4 20930 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [0,2,0,0,0,0|1,0,1]=4 20931 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [0,2,0,0,0,0|0,0,1]=3 20932 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [0,2,0,0,0,0|0,0,1]=3 20933 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [0,2,0,0,0,0|0,1,1]=4 20934 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [0,2,0,0,0,0|0,1,1]=4 20935 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [0,2,0,0,0,0|0,1,1]=4 20936 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [0,2,0,0,0,0|0,1,1]=4 20937 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [0,2,0,0,0,0|1,0,1]=4 20938 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [0,2,0,0,0,0|0,0,1]=3 20939 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [0,2,0,0,0,0|0,0,1]=3 20940 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [0,2,0,0,0,0|0,0,1]=3 20941 B11R0.3 O=CCCCOCCOCCBr 7a_100000692535_200011292268 [0,2,0,0,0,0|1,0,1]=4 20942 B11R0.3 O=CCCCOCCOCCCl 7a_100011215305_200011292268 [0,2,0,0,0,0|1,0,1]=4 20943 B11R0.3 O=CCCCOCCOCCF 7a_200015357709_200011292268 [0,2,0,0,0,0|1,0,1]=4 20944 B11R0.3 O=CCCCOCCOCCI 7a_100012149058_200011292268 [0,2,0,0,0,0|1,0,1]=4 20945 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [0,2,0,0,0,0|0,1,1]=4 20946 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [0,2,0,0,0,0|0,1,1]=4 20947 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [0,2,0,0,0,0|0,1,1]=4 20948 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [0,2,0,0,0,0|0,1,1]=4 20949 B11R0.3 O=CCNCCCOCCCO 2230a_100011310245_200015260668 [0,2,0,0,0,0|1,0,1]=4 20950 B11R0.3 O=CCNCCCOCCCO 34a_100011310245_200009817547 [0,2,0,0,0,0|1,0,1]=4 20951 B11R0.3 OCC#CCOCCCCCBr 34a_100000746331_200000047223 [0,2,0,0,0,0|0,0,2]=4 20952 B11R0.3 OCC#CCOCCCCCBr 7a_100000746331_200000047223 [0,2,0,0,0,0|0,0,2]=4 20953 B11R0.3 OCC#CCOCCCCCCl 34a_100000746330_200000047223 [0,2,0,0,0,0|0,0,2]=4 20954 B11R0.3 OCC#CCOCCCCCCl 7a_100000746330_200000047223 [0,2,0,0,0,0|0,0,2]=4 20955 B11R0.3 OCC#CCOCCCCCI 34a_200012148887_200000047223 [0,2,0,0,0,0|0,0,2]=4 20956 B11R0.3 OCC#CCOCCCCCI 7a_200012148887_200000047223 [0,2,0,0,0,0|0,0,2]=4 20957 B11R0.3 OCCCCCCCCNCF 34a_102515433106_100015361967 [0,2,0,0,0,0|2,0,0]=4 20958 B11R0.3 OCCCCCCCCSCF 62a_100000033203_100015361967 [0,2,0,0,0,0|2,0,0]=4 20959 B11R0.3 OCCCCCCCCSCF 62a_100015361967_100000033203 [0,2,0,0,0,0|2,0,0]=4 20960 B11R0.3 OCCCCCCCNCCF 2230a_100011996573_100011217306 [0,2,0,0,0,0|2,0,0]=4 20961 B11R0.3 OCCCCCCCNCCF 34a_100000724931_100000760002 [0,2,0,0,0,0|2,0,0]=4 20962 B11R0.3 OCCCCCCCNCCF 34a_100011996573_100011217306 [0,2,0,0,0,0|2,0,0]=4 20963 B11R0.3 OCCCCCCCNCCO 2230a_100011996573_100000211926 [0,2,0,0,0,0|2,0,0]=4 20964 B11R0.3 OCCCCCCCNCCO 2230a_100016997473_100000760002 [0,2,0,0,0,0|2,0,0]=4 20965 B11R0.3 OCCCCCCCNCCO 34a_100011996573_100000211926 [0,2,0,0,0,0|2,0,0]=4 20966 B11R0.3 OCCCCCCCNCCO 34a_100016990907_100000760002 [0,2,0,0,0,0|2,0,0]=4 20967 B11R0.3 OCCCCCCCOCCBr 34a_100000211926_100000760002 [0,2,0,0,0,0|2,0,0]=4 20968 B11R0.3 OCCCCCCCSCCF 62a_100000760002_100011217306 [0,2,0,0,0,0|2,0,0]=4 20969 B11R0.3 OCCCCCCCSCCF 62a_100011217306_100000760002 [0,2,0,0,0,0|2,0,0]=4 20970 B11R0.3 OCCCCCCCSCCO 62a_100000211926_100000760002 [0,2,0,0,0,0|2,0,0]=4 20971 B11R0.3 OCCCCCCCSCCO 62a_100000760002_100000211926 [0,2,0,0,0,0|2,0,0]=4 20972 B11R0.3 OCCCCCCNCCCF 2230a_100000686447_100011934791 [0,2,0,0,0,0|2,0,0]=4 20973 B11R0.3 OCCCCCCNCCCF 2230a_100015189416_100000766143 [0,2,0,0,0,0|2,0,0]=4 20974 B11R0.3 OCCCCCCNCCCF 34a_100000686447_100011934791 [0,2,0,0,0,0|2,0,0]=4 20975 B11R0.3 OCCCCCCNCCCF 34a_100015189416_100000766143 [0,2,0,0,0,0|2,0,0]=4 20976 B11R0.3 OCCCCCCNCCCO 2230a_100000686447_100000230001 [0,2,0,0,0,0|2,0,0]=4 20977 B11R0.3 OCCCCCCNCCCO 34a_100000686447_100000230001 [0,2,0,0,0,0|2,0,0]=4 20978 B11R0.3 OCCCCCCOCCCBr 34a_100011217188_100000766143 [0,2,0,0,0,0|1,0,0]=3 20979 B11R0.3 OCCCCCCOCCCCl 34a_100000230001_100000766143 [0,2,0,0,0,0|1,0,0]=3 20980 B11R0.3 OCCCCCCOCCCF 34a_100000759539_100000766143 [0,2,0,0,0,0|1,0,0]=3 20981 B11R0.3 OCCCCCCSCCCF 62a_100000766143_100011934791 [0,2,0,0,0,0|1,1,0]=4 20982 B11R0.3 OCCCCCCSCCCF 62a_100011934791_100000766143 [0,2,0,0,0,0|1,1,0]=4 20983 B11R0.3 OCCCCCCSCCCO 62a_100000766143_100011215043 [0,2,0,0,0,0|1,1,0]=4 20984 B11R0.3 OCCCCCCSCCCO 62a_100011215043_100000766143 [0,2,0,0,0,0|1,1,0]=4 20985 B11R0.3 OCCCCCNCCCCF 2230a_100000762737_100000729493 [0,2,0,0,0,0|1,0,0]=3 20986 B11R0.3 OCCCCCNCCCCF 34a_100000762737_100000729493 [0,2,0,0,0,0|1,0,0]=3 20987 B11R0.3 OCCCCCNCCCCO 2230a_100000750430_100000746330 [0,2,0,0,0,0|1,0,0]=3 20988 B11R0.3 OCCCCCNCCCCO 2230a_100000762737_100000210776 [0,2,0,0,0,0|1,0,0]=3 20989 B11R0.3 OCCCCCNCCCCO 34a_100000750430_100000746330 [0,2,0,0,0,0|1,0,0]=3 20990 B11R0.3 OCCCCCNCCCCO 34a_100000762737_100011216708 [0,2,0,0,0,0|1,0,0]=3 20991 B11R0.3 OCCCCCOCC#CCCl 34a_200000047223_100000746330 [0,2,0,0,0,0|0,0,2]=4 20992 B11R0.3 OCCCCCOCCCCBr 34a_100011216708_100000746330 [0,2,0,0,0,0|0,0,0]=2 20993 B11R0.3 OCCCCCOCCCCCl 34a_100000210776_100000746330 [0,2,0,0,0,0|0,0,0]=2 20994 B11R0.3 OCCCCCOCCCCCl 7a_100000210776_100000746330 [0,2,0,0,0,0|0,0,0]=2 20995 B11R0.3 OCCCCCOCCCCF 34a_100011995726_100000746330 [0,2,0,0,0,0|0,0,0]=2 20996 B11R0.3 OCCCCCOCCCCF 7a_100011995726_100000746330 [0,2,0,0,0,0|0,0,0]=2 20997 B11R0.3 OCCCCCOCCCCI 34a_200012148704_100000746330 [0,2,0,0,0,0|0,0,0]=2 20998 B11R0.3 OCCCCCSCCCCF 62a_100000729493_100000746330 [0,2,0,0,0,0|0,1,0]=3 20999 B11R0.3 OCCCCCSCCCCF 62a_100000746330_100000729493 [0,2,0,0,0,0|0,1,0]=3 21000 B11R0.3 OCCCCCSCCCCO 62a_100000210776_100000746330 [0,2,0,0,0,0|0,1,0]=3 21001 B11R0.3 OCCCCCSCCCCO 62a_100000746330_100000210776 [0,2,0,0,0,0|0,1,0]=3 21002 B11R0.3 OCCCCNCCCCCF 2230a_100000750430_100000729378 [0,2,0,0,0,0|1,0,0]=3 21003 B11R0.3 OCCCCNCCCCCF 34a_100000750430_100000729378 [0,2,0,0,0,0|1,0,0]=3 21004 B11R0.3 OCCCCNCCOCCO 2230a_100000211614_100000210776 [0,2,0,0,0,0|2,0,0]=4 21005 B11R0.3 OCCCCNCCOCCO 2230a_100000750430_100011215305 [0,2,0,0,0,0|2,0,0]=4 21006 B11R0.3 OCCCCNCCOCCO 34a_100000211614_100011216708 [0,2,0,0,0,0|2,0,0]=4 21007 B11R0.3 OCCCCNCCOCCO 34a_100000750430_100000692535 [0,2,0,0,0,0|2,0,0]=4 21008 B11R0.3 OCCCCNCCSCCO 2230a_100011219999_100000210776 [0,2,0,0,0,0|2,0,0]=4 21009 B11R0.3 OCCCCOCCCCCBr 34a_100000746331_100011216708 [0,2,0,0,0,0|0,0,0]=2 21010 B11R0.3 OCCCCOCCCCCBr 7a_100000746331_100000210776 [0,2,0,0,0,0|0,0,0]=2 21011 B11R0.3 OCCCCOCCCCCCl 34a_100000746330_100011216708 [0,2,0,0,0,0|0,0,0]=2 21012 B11R0.3 OCCCCOCCCCCCl 7a_100000746330_100000210776 [0,2,0,0,0,0|0,0,0]=2 21013 B11R0.3 OCCCCOCCCCCI 34a_200012148887_100011216708 [0,2,0,0,0,0|0,0,0]=2 21014 B11R0.3 OCCCCOCCCCCI 7a_200012148887_100000210776 [0,2,0,0,0,0|0,0,0]=2 21015 B11R0.3 OCCCCOCCOCCBr 34a_100000692535_100011216708 [0,2,0,0,0,0|1,0,0]=3 21016 B11R0.3 OCCCCOCCOCCBr 7a_100000692535_100000210776 [0,2,0,0,0,0|1,0,0]=3 21017 B11R0.3 OCCCCOCCOCCCl 34a_100011215305_100011216708 [0,2,0,0,0,0|1,0,0]=3 21018 B11R0.3 OCCCCOCCOCCCl 7a_100011215305_100000210776 [0,2,0,0,0,0|1,0,0]=3 21019 B11R0.3 OCCCCOCCOCCF 34a_200015357709_100011216708 [0,2,0,0,0,0|1,0,0]=3 21020 B11R0.3 OCCCCOCCOCCF 7a_200015357709_100000210776 [0,2,0,0,0,0|1,0,0]=3 21021 B11R0.3 OCCCCOCCOCCI 34a_100012149058_100011216708 [0,2,0,0,0,0|1,0,0]=3 21022 B11R0.3 OCCCCOCCOCCI 7a_100012149058_100000210776 [0,2,0,0,0,0|1,0,0]=3 21023 B11R0.3 OCCCCSCCCCCF 62a_100000210776_100000729378 [0,2,0,0,0,0|0,1,0]=3 21024 B11R0.3 OCCCCSCCCCCF 62a_100000729378_100000210776 [0,2,0,0,0,0|0,1,0]=3 21025 B11R0.3 OCCCCSCCOCCO 62a_100000210776_100011215305 [0,2,0,0,0,0|1,1,0]=4 21026 B11R0.3 OCCCCSCCOCCO 62a_100011215305_100000210776 [0,2,0,0,0,0|1,1,0]=4 21027 B11R0.3 OCCCOCCCCCCBr 34a_100011215345_100000230001 [0,2,0,0,0,0|1,0,0]=3 21028 B11R0.3 OCCCOCCCCCCBr 7a_100011215345_100011215043 [0,2,0,0,0,0|1,0,0]=3 21029 B11R0.3 OCCCOCCCCCCCl 34a_100000766143_100000230001 [0,2,0,0,0,0|1,0,0]=3 21030 B11R0.3 OCCCOCCCCCCCl 7a_100000766143_100011215043 [0,2,0,0,0,0|1,0,0]=3 21031 B11R0.3 OCCCOCCCCCCF 34a_100000732779_100000230001 [0,2,0,0,0,0|1,0,0]=3 21032 B11R0.3 OCCCOCCCCCCF 7a_100000732779_100011215043 [0,2,0,0,0,0|1,0,0]=3 21033 B11R0.3 OCCCOCCCNCCF 2230a_100011310245_100011217306 [0,2,0,0,0,0|1,0,0]=3 21034 B11R0.3 OCCCOCCCNCCF 34a_100011310245_100011217306 [0,2,0,0,0,0|1,0,0]=3 21035 B11R0.3 OCCCOCCCNCCO 2230a_100011310245_100000211926 [0,2,0,0,0,0|1,0,0]=3 21036 B11R0.3 OCCCOCCCNCCO 34a_100011310245_100000211926 [0,2,0,0,0,0|1,0,0]=3 21037 B11R0.3 OCCCSCCCCCCF 62a_100011215043_100015922095 [0,2,0,0,0,0|1,1,0]=4 21038 B11R0.3 OCCCSCCCCCCF 62a_100015922095_100011215043 [0,2,0,0,0,0|1,1,0]=4 21039 B11R0.3 OCCOCCCCCCCBr 34a_100000760002_100000211926 [0,2,0,0,0,0|2,0,0]=4 21040 B11R0.3 OCCOCCCCCCCBr 7a_100000760002_100000211926 [0,2,0,0,0,0|2,0,0]=4 21041 B11R0.3 OCCOCCNCCCCF 2230a_100000211614_100000729493 [0,2,0,0,0,0|2,0,0]=4 21042 B11R0.3 OCCOCCNCCCCF 34a_100000211614_100000729493 [0,2,0,0,0,0|2,0,0]=4 21043 B11R0.3 OCCOCCOCCCCBr 34a_100011216708_100000692535 [0,2,0,0,0,0|1,0,0]=3 21044 B11R0.3 OCCOCCOCCCCCl 34a_100000210776_100000692535 [0,2,0,0,0,0|1,0,0]=3 21045 B11R0.3 OCCOCCOCCCCCl 7a_100000210776_100011215305 [0,2,0,0,0,0|1,0,0]=3 21046 B11R0.3 OCCOCCOCCCCF 34a_100011995726_100000692535 [0,2,0,0,0,0|1,0,0]=3 21047 B11R0.3 OCCOCCOCCCCF 7a_100011995726_100011215305 [0,2,0,0,0,0|1,0,0]=3 21048 B11R0.3 OCCOCCOCCCCI 34a_200012148704_100000692535 [0,2,0,0,0,0|1,0,0]=3 21049 B11R0.3 OCCOCCOCCNCF 34a_100011998139_100015361967 [0,2,0,0,0,0|2,0,0]=4 21050 B11R0.3 OCCOCCOCCSCF 62a_100000032323_100015361967 [0,2,0,0,0,0|2,0,0]=4 21051 B11R0.3 OCCOCCOCCSCF 62a_100015361967_100000032323 [0,2,0,0,0,0|2,0,0]=4 21052 B11R0.3 OCCOCCSCCCCF 62a_100000729493_100011215305 [0,2,0,0,0,0|1,1,0]=4 21053 B11R0.3 OCCOCCSCCCCF 62a_100011215305_100000729493 [0,2,0,0,0,0|1,1,0]=4 21054 B11R0.3 OCCSCCNCCCCF 2230a_100011219999_100000729493 [0,2,0,0,0,0|2,0,0]=4 21055 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [0,2,0,0,0,0|1,0,0]=3 21056 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [0,2,0,0,0,0|1,0,0]=3 21057 B11R0.3 [13CH3]NCCCOCCOCCO 2230a_100011996194_200025704644 [0,2,0,0,0,0|1,0,0]=3 21058 B11R0.3 [13CH3]NCCCOCCOCCO 34a_100011996194_200025704644 [0,2,0,0,0,0|1,0,0]=3 21059 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [0,2,0,0,0,0|1,0,0]=3 21060 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [0,2,0,0,0,0|1,0,0]=3 21061 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [0,2,0,0,0,0|1,0,0]=3 21062 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [0,2,0,0,0,0|1,0,0]=3 21063 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [0,2,0,0,0,0|1,0,0]=3 21064 B11R0.3 [13CH3]OCCOCCOCCCN 34a_100011996194_200025704644 [0,2,0,0,0,0|1,0,0]=3 21065 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [0,2,0,0,0,0|1,0,0]=3 21066 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [0,2,0,0,0,0|1,0,0]=3 21067 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000212188_100000731252 [0,2,0,0,0,0|1,0,1]=4 21068 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000690238_100000210326 [0,2,0,0,0,0|1,0,1]=4 21069 B11R0.140 C#CCCCN(C)CCCCC 2230a_100000223495_100000731252 [0,2,0,0,0,0|1,0,1]=4 21070 B11R0.140 C#CCCCN(C)CCCCC 269982a_100000223495_100011215417 [0,2,0,0,0,0|1,0,1]=4 21071 B11R0.140 C#CCCOC(C)CCCCC 34a_100011215631_200011218191 [0,2,0,0,0,0|0,0,2]=4 21072 B11R0.140 C#CCCOC(C)CCCCC 34a_100011215632_100000688953 [0,2,0,0,0,0|0,0,2]=4 21073 B11R0.140 C#CCCOC(C)CCCCC 7a_100011215632_100000688953 [0,2,0,0,0,0|0,0,2]=4 21074 B11R0.140 C#CCCOC(C)CCCOC 34a_200011539412_100000688953 [0,2,0,0,0,0|0,0,2]=4 21075 B11R0.140 C#CCCOC(C)CCCOC 7a_200011539412_100000688953 [0,2,0,0,0,0|0,0,2]=4 21076 B11R0.140 C#CCOCC(C)OCCCC 34a_100011025554_100000210210 [0,2,0,0,0,0|0,0,2]=4 21077 B11R0.140 C#CCOCC(C)OCCCC 7a_100011025554_100000210211 [0,2,0,0,0,0|0,0,2]=4 21078 B11R0.140 C/C=C/COC(C)CCCCC 34a_100011215632_100102629194 [0,2,0,0,0,0|0,0,2]=4 21079 B11R0.140 C/C=C/COC(C)CCCCC 34a_100016270725_200011218191 [0,2,0,0,0,0|0,0,2]=4 21080 B11R0.140 C/C=C/COC(C)CCCCC 7a_100011215632_100102629194 [0,2,0,0,0,0|0,0,2]=4 21081 B11R0.140 C/C=C/COC(C)CCCOC 34a_200011539412_100102629194 [0,2,0,0,0,0|0,0,2]=4 21082 B11R0.140 C/C=C/COC(C)CCCOC 7a_200011539412_100102629194 [0,2,0,0,0,0|0,0,2]=4 21083 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [0,2,0,0,0,0|1,0,1]=4 21084 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [0,2,0,0,0,0|1,0,1]=4 21085 B11R0.140 C=CCCCN(C)CCCCC 2230a_100000223495_100011713584 [0,2,0,0,0,0|1,0,1]=4 21086 B11R0.140 C=CCCCN(C)CCCCC 269982a_100000223495_100000757094 [0,2,0,0,0,0|1,0,1]=4 21087 B11R0.140 C=CCCOC(C)CCCCC 34a_100011205117_200011218191 [0,2,0,0,0,0|0,0,2]=4 21088 B11R0.140 C=CCCOC(C)CCCCC 34a_100011215632_100000754431 [0,2,0,0,0,0|0,0,2]=4 21089 B11R0.140 C=CCCOC(C)CCCCC 7a_100011215632_100000754431 [0,2,0,0,0,0|0,0,2]=4 21090 B11R0.140 C=CCCOC(C)CCCOC 34a_200011539412_100000754431 [0,2,0,0,0,0|0,0,2]=4 21091 B11R0.140 C=CCCOC(C)CCCOC 7a_200011539412_100000754431 [0,2,0,0,0,0|0,0,2]=4 21092 B11R0.140 CC#CCOC(C)CCCCC 34a_100000761923_200011218191 [0,2,0,0,0,0|0,0,2]=4 21093 B11R0.140 CC#CCOC(C)CCCCC 34a_100011215632_100000748600 [0,2,0,0,0,0|0,0,2]=4 21094 B11R0.140 CC#CCOC(C)CCCCC 7a_100011215632_100000748600 [0,2,0,0,0,0|0,0,2]=4 21095 B11R0.140 CC#CCOC(C)CCCOC 34a_200011539412_100000748600 [0,2,0,0,0,0|0,0,2]=4 21096 B11R0.140 CC#CCOC(C)CCCOC 7a_200011539412_100000748600 [0,2,0,0,0,0|0,0,2]=4 21097 B11R0.140 CC/C=C/CC(=O)CCCCC 1458a_100016274230_100000210326 [0,2,0,0,0,0|1,0,1]=4 21098 B11R0.140 CC/C=C\CC(=O)CCCCC 1458a_100000212188_100103147603 [0,2,0,0,0,0|1,0,1]=4 21099 B11R0.140 CC/C=C\CN(C)CCCCC 2230a_100000223495_100103147603 [0,2,0,0,0,0|1,0,1]=4 21100 B11R0.140 CC/C=C\CN(C)CCCCC 269982a_100000223495_100103147603 [0,2,0,0,0,0|1,0,1]=4 21101 B11R0.140 CC=CCOC(C)CCCCC 34a_100011215632_100000070051 [0,2,0,0,0,0|0,0,2]=4 21102 B11R0.140 CC=CCOC(C)CCCCC 7a_100011215632_100000070051 [0,2,0,0,0,0|0,0,2]=4 21103 B11R0.140 CC=CCOC(C)CCCOC 34a_200011539412_100000070051 [0,2,0,0,0,0|0,0,2]=4 21104 B11R0.140 CC=CCOC(C)CCCOC 7a_200011539412_100000070051 [0,2,0,0,0,0|0,0,2]=4 21105 B11R0.140 CCC#CCC(=O)CCCCC 1458a_100000212188_100009813939 [0,2,0,0,0,0|1,0,1]=4 21106 B11R0.140 CCC#CCC(C)OCCCC 34a_200000035118_100000210210 [0,2,0,0,0,0|0,0,1]=3 21107 B11R0.140 CCC#CCC(C)OCCCC 7a_200000035118_100000210211 [0,2,0,0,0,0|0,0,1]=3 21108 B11R0.140 CCC#CCC(C)OCCCF 34a_200000035118_100011934791 [0,2,0,0,0,0|1,0,1]=4 21109 B11R0.140 CCC#CCC(C)OCCCF 7a_200000035118_100011934791 [0,2,0,0,0,0|1,0,1]=4 21110 B11R0.140 CCC#CCC(C)OCCCO 34a_200000035118_100000230001 [0,2,0,0,0,0|1,0,1]=4 21111 B11R0.140 CCC#CCC(C)OCCCO 7a_200000035118_100011215043 [0,2,0,0,0,0|1,0,1]=4 21112 B11R0.140 CCC#CCC(C)OCCOC 34a_200000035118_100011201679 [0,2,0,0,0,0|1,0,1]=4 21113 B11R0.140 CCC#CCC(C)OCCOC 7a_200000035118_100000233755 [0,2,0,0,0,0|1,0,1]=4 21114 B11R0.140 CCC#CCC(C)OCCSC 34a_200000035118_100000212216 [0,2,0,0,0,0|1,0,1]=4 21115 B11R0.140 CCC#CCC(C)OCCSC 7a_200000035118_100000212216 [0,2,0,0,0,0|1,0,1]=4 21116 B11R0.140 CCC#CCN(C)CCCCC 2230a_100000223495_100009813939 [0,2,0,0,0,0|1,0,1]=4 21117 B11R0.140 CCCC#CC(=O)CCCCC 1458a_200011218047_100000210326 [0,2,0,0,0,0|1,0,1]=4 21118 B11R0.140 CCCC=CC(=O)CCCCC 1458a_100000212230_100000210326 [0,2,0,0,0,0|1,0,1]=4 21119 B11R0.140 CCCCCC(=NNCCC)C 4a_100000740057_100000211708 [0,2,0,0,0,0|2,0,0]=4 21120 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000075515_100000210326 [0,2,0,0,0,0|1,0,1]=4 21121 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000212188_100000211468 [0,2,0,0,0,0|1,0,1]=4 21122 B11R0.140 CCCCCC(=O)CCCCC 1458a_100000212188_100000210326 [0,2,0,0,0,0|1,0,0]=3 21123 B11R0.140 CCCCCC(=O)CCCCF 1458a_100000212188_100000729493 [0,2,0,0,0,0|1,0,0]=3 21124 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [0,2,0,0,0,0|1,0,0]=3 21125 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [0,2,0,0,0,0|1,0,0]=3 21126 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000212188_100000740836 [0,2,0,0,0,0|1,0,0]=3 21127 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000741012_100000210326 [0,2,0,0,0,0|1,0,0]=3 21128 B11R0.140 CCCCCC(=O)CCCSC 1458a_100000173376_100000210326 [0,2,0,0,0,0|1,0,0]=3 21129 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000212188_100011215890 [0,2,0,0,0,0|1,0,0]=3 21130 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000749530_100000210326 [0,2,0,0,0,0|1,0,0]=3 21131 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000212188_100000757381 [0,2,0,0,0,0|1,0,0]=3 21132 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000230768_100000210326 [0,2,0,0,0,0|1,0,0]=3 21133 B11R0.140 CCCCCC(=O)CNCCF 34a_100000724931_200012276598 [0,2,0,0,0,0|2,0,0]=4 21134 B11R0.140 CCCCCC(=O)CNCCO 2230a_100016997473_200012276598 [0,2,0,0,0,0|2,0,0]=4 21135 B11R0.140 CCCCCC(=O)CNCCO 34a_100016990907_200012276598 [0,2,0,0,0,0|2,0,0]=4 21136 B11R0.140 CCCCCC(=O)COCCBr 34a_100000211926_200012276598 [0,2,0,0,0,0|2,0,0]=4 21137 B11R0.140 CCCCCC(=O)COCCC 1458a_100000745993_100000210326 [0,2,0,0,0,0|1,0,0]=3 21138 B11R0.140 CCCCCC(=O)COCCC 34a_100000210258_200012276598 [0,2,0,0,0,0|1,0,0]=3 21139 B11R0.140 CCCCCC(=O)COCCN 34a_100000210304_200012276598 [0,2,0,0,0,0|2,0,0]=4 21140 B11R0.140 CCCCCC(=O)COCCO 1458a_100000708028_100000210326 [0,2,0,0,0,0|2,0,0]=4 21141 B11R0.140 CCCCCC(=O)CSCCC 1458a_100000217233_100000210326 [0,2,0,0,0,0|1,0,0]=3 21142 B11R0.140 CCCCCC(=O)CSCCC 62a_100000210303_200012276598 [0,2,0,0,0,0|1,0,0]=3 21143 B11R0.140 CCCCCC(=O)CSCCC 62a_200012276598_100000210303 [0,2,0,0,0,0|1,0,0]=3 21144 B11R0.140 CCCCCC(=O)CSCCF 62a_100011217306_200012276598 [0,2,0,0,0,0|2,0,0]=4 21145 B11R0.140 CCCCCC(=O)CSCCF 62a_200012276598_100011217306 [0,2,0,0,0,0|2,0,0]=4 21146 B11R0.140 CCCCCC(=O)CSCCO 62a_100000211926_200012276598 [0,2,0,0,0,0|2,0,0]=4 21147 B11R0.140 CCCCCC(=O)CSCCO 62a_200012276598_100000211926 [0,2,0,0,0,0|2,0,0]=4 21148 B11R0.140 CCCCCC(=O)CSCOC 62a_100000766300_200012276598 [0,2,0,0,0,0|2,0,0]=4 21149 B11R0.140 CCCCCC(=O)CSCOC 62a_200012276598_100000766300 [0,2,0,0,0,0|2,0,0]=4 21150 B11R0.140 CCCCCC(=O)CSCSC 62a_100011218213_200012276598 [0,2,0,0,0,0|2,0,0]=4 21151 B11R0.140 CCCCCC(=O)CSCSC 62a_200012276598_100011218213 [0,2,0,0,0,0|2,0,0]=4 21152 B11R0.140 CCCCCC(=O)NCCCC 11a_100000102301_100000212188 [0,2,0,0,0,0|1,0,0]=3 21153 B11R0.140 CCCCCC(=O)NCCCC 1626a_100000102301_100000212188 [0,2,0,0,0,0|1,0,0]=3 21154 B11R0.140 CCCCCC(=O)NCCCC 240690a_100000102301_100000212188 [0,2,0,0,0,0|1,0,0]=3 21155 B11R0.140 CCCCCC(=O)NCCCC 527a_100000102301_100000212188 [0,2,0,0,0,0|1,0,0]=3 21156 B11R0.140 CCCCCC(=O)NCCCF 11a_100015189416_100000212188 [0,2,0,0,0,0|2,0,0]=4 21157 B11R0.140 CCCCCC(=O)NCCCF 1626a_100015189416_100000212188 [0,2,0,0,0,0|2,0,0]=4 21158 B11R0.140 CCCCCC(=O)NCCCF 240690a_100015189416_100000212188 [0,2,0,0,0,0|2,0,0]=4 21159 B11R0.140 CCCCCC(=O)NCCCF 527a_100015189416_100000212188 [0,2,0,0,0,0|2,0,0]=4 21160 B11R0.140 CCCCCC(=O)NCCCO 240690a_100000182051_100000212188 [0,2,0,0,0,0|2,0,0]=4 21161 B11R0.140 CCCCCC(=O)NCCCO 527a_100000182051_100000212188 [0,2,0,0,0,0|2,0,0]=4 21162 B11R0.140 CCCCCC(=O)NCCOC 1626a_100000209980_100000212188 [0,2,0,0,0,0|2,0,0]=4 21163 B11R0.140 CCCCCC(=O)NCCOC 240690a_100000209980_100000212188 [0,2,0,0,0,0|2,0,0]=4 21164 B11R0.140 CCCCCC(=O)NCCOC 527a_100000209980_100000212188 [0,2,0,0,0,0|2,0,0]=4 21165 B11R0.140 CCCCCC(=O)NCCSC 11a_100020590264_100000212188 [0,2,0,0,0,0|2,0,0]=4 21166 B11R0.140 CCCCCC(=O)NCCSC 1626a_100020590264_100000212188 [0,2,0,0,0,0|2,0,0]=4 21167 B11R0.140 CCCCCC(=O)NCCSC 240690a_100020590264_100000212188 [0,2,0,0,0,0|2,0,0]=4 21168 B11R0.140 CCCCCC(=O)NCCSC 527a_100020590264_100000212188 [0,2,0,0,0,0|2,0,0]=4 21169 B11R0.140 CCCCCC(=O)NNCCC 22a_100000740057_100000212188 [0,2,0,0,0,0|2,0,0]=4 21170 B11R0.140 CCCCCC(C)NCCCC 2230a_100000102301_200011218191 [0,2,0,0,0,0|1,0,0]=3 21171 B11R0.140 CCCCCC(C)NCCCC 2230a_100000211957_100000210211 [0,2,0,0,0,0|1,0,0]=3 21172 B11R0.140 CCCCCC(C)NCCCC 270004a_100000102301_100000211708 [0,2,0,0,0,0|1,0,0]=3 21173 B11R0.140 CCCCCC(C)NCCCC 7a_106832991798_200011218191 [0,2,0,0,0,0|1,0,0]=3 21174 B11R0.140 CCCCCC(C)NCCCF 2230a_100000211957_100011934791 [0,2,0,0,0,0|2,0,0]=4 21175 B11R0.140 CCCCCC(C)NCCCF 2230a_100015189416_200011218191 [0,2,0,0,0,0|2,0,0]=4 21176 B11R0.140 CCCCCC(C)NCCCF 270004a_100015189416_100000211708 [0,2,0,0,0,0|2,0,0]=4 21177 B11R0.140 CCCCCC(C)NCCCF 34a_100015189416_200011218191 [0,2,0,0,0,0|2,0,0]=4 21178 B11R0.140 CCCCCC(C)NCCCO 2230a_100000211957_100000230001 [0,2,0,0,0,0|2,0,0]=4 21179 B11R0.140 CCCCCC(C)NCCCO 270004a_100000182051_100000211708 [0,2,0,0,0,0|2,0,0]=4 21180 B11R0.140 CCCCCC(C)NCCOC 2230a_100000209980_200011218191 [0,2,0,0,0,0|2,0,0]=4 21181 B11R0.140 CCCCCC(C)NCCOC 2230a_100000211957_100011201679 [0,2,0,0,0,0|2,0,0]=4 21182 B11R0.140 CCCCCC(C)NCCOC 270004a_100000209980_100000211708 [0,2,0,0,0,0|2,0,0]=4 21183 B11R0.140 CCCCCC(C)NCCSC 2230a_100000211957_100000751147 [0,2,0,0,0,0|2,0,0]=4 21184 B11R0.140 CCCCCC(C)NCCSC 2230a_100020590264_200011218191 [0,2,0,0,0,0|2,0,0]=4 21185 B11R0.140 CCCCCC(C)NCCSC 270004a_100020590264_100000211708 [0,2,0,0,0,0|2,0,0]=4 21186 B11R0.140 CCCCCC(C)OCCC#N 7a_100011215632_100000184422 [0,2,0,0,0,0|1,0,1]=4 21187 B11R0.140 CCCCCC(C)OCCCBr 34a_100011217188_200011218191 [0,2,0,0,0,0|1,0,0]=3 21188 B11R0.140 CCCCCC(C)OCCCC 34a_100000210227_200011218191 [0,2,0,0,0,0|0,0,0]=2 21189 B11R0.140 CCCCCC(C)OCCCC 34a_100011215632_100000210210 [0,2,0,0,0,0|0,0,0]=2 21190 B11R0.140 CCCCCC(C)OCCCC 7a_100000210227_200011218191 [0,2,0,0,0,0|0,0,0]=2 21191 B11R0.140 CCCCCC(C)OCCCC 7a_100011215632_100000210211 [0,2,0,0,0,0|0,0,0]=2 21192 B11R0.140 CCCCCC(C)OCCCCl 34a_100000230001_200011218191 [0,2,0,0,0,0|1,0,0]=3 21193 B11R0.140 CCCCCC(C)OCCCF 34a_100000759539_200011218191 [0,2,0,0,0,0|1,0,0]=3 21194 B11R0.140 CCCCCC(C)OCCCF 34a_100011215632_100011934791 [0,2,0,0,0,0|1,0,0]=3 21195 B11R0.140 CCCCCC(C)OCCCF 7a_100011215632_100011934791 [0,2,0,0,0,0|1,0,0]=3 21196 B11R0.140 CCCCCC(C)OCCCN 34a_100000182051_200011218191 [0,2,0,0,0,0|1,0,0]=3 21197 B11R0.140 CCCCCC(C)OCCCO 34a_100011215632_100000230001 [0,2,0,0,0,0|1,0,0]=3 21198 B11R0.140 CCCCCC(C)OCCCO 7a_100011215632_100011215043 [0,2,0,0,0,0|1,0,0]=3 21199 B11R0.140 CCCCCC(C)OCCOC 34a_100000210237_200011218191 [0,2,0,0,0,0|1,0,0]=3 21200 B11R0.140 CCCCCC(C)OCCOC 34a_100011215632_100011201679 [0,2,0,0,0,0|1,0,0]=3 21201 B11R0.140 CCCCCC(C)OCCOC 7a_100011215632_100000233755 [0,2,0,0,0,0|1,0,0]=3 21202 B11R0.140 CCCCCC(C)OCCON 34a_100000700252_200011218191 [0,2,0,0,0,0|2,0,0]=4 21203 B11R0.140 CCCCCC(C)OCCSC 34a_100000230434_200011218191 [0,2,0,0,0,0|1,0,0]=3 21204 B11R0.140 CCCCCC(C)OCCSC 34a_100011215632_100000212216 [0,2,0,0,0,0|1,0,0]=3 21205 B11R0.140 CCCCCC(C)OCCSC 7a_100000230434_200011218191 [0,2,0,0,0,0|1,0,0]=3 21206 B11R0.140 CCCCCC(C)OCCSC 7a_100011215632_100000212216 [0,2,0,0,0,0|1,0,0]=3 21207 B11R0.140 CCCCCC(C)SCCCC 62a_100000210211_200011218191 [0,2,0,0,0,0|0,1,0]=3 21208 B11R0.140 CCCCCC(C)SCCCC 62a_200011218191_100000210210 [0,2,0,0,0,0|0,1,0]=3 21209 B11R0.140 CCCCCC(C)SCCCF 62a_100011934791_200011218191 [0,2,0,0,0,0|1,1,0]=4 21210 B11R0.140 CCCCCC(C)SCCCF 62a_200011218191_100011934791 [0,2,0,0,0,0|1,1,0]=4 21211 B11R0.140 CCCCCC(C)SCCCO 62a_100011215043_200011218191 [0,2,0,0,0,0|1,1,0]=4 21212 B11R0.140 CCCCCC(C)SCCCO 62a_200011218191_100011215043 [0,2,0,0,0,0|1,1,0]=4 21213 B11R0.140 CCCCCC(C)SCCOC 62a_100000233755_200011218191 [0,2,0,0,0,0|1,1,0]=4 21214 B11R0.140 CCCCCC(C)SCCOC 62a_200011218191_100000233755 [0,2,0,0,0,0|1,1,0]=4 21215 B11R0.140 CCCCCC(C)SCCSC 62a_100000212216_200011218191 [0,2,0,0,0,0|1,1,0]=4 21216 B11R0.140 CCCCCC(C)SCCSC 62a_200011218191_100000751147 [0,2,0,0,0,0|1,1,0]=4 21217 B11R0.140 CCCCCC(C)SCOCC 62a_100000739092_200011218191 [0,2,0,0,0,0|1,1,0]=4 21218 B11R0.140 CCCCCC(C)SCOCC 62a_200011218191_100000739092 [0,2,0,0,0,0|1,1,0]=4 21219 B11R0.140 CCCCCN(C)CCCC#N 2230a_100000223495_100000687738 [0,2,0,0,0,0|1,0,1]=4 21220 B11R0.140 CCCCCN(C)CCCC#N 269982a_100000223495_100000687738 [0,2,0,0,0,0|1,0,1]=4 21221 B11R0.140 CCCCCN(C)CCCC=O 2230a_100000223495_200011292268 [0,2,0,0,0,0|1,0,1]=4 21222 B11R0.140 CCCCCN(C)CCCC=O 269982a_100000223495_200011292268 [0,2,0,0,0,0|1,0,1]=4 21223 B11R0.140 CCCCCN(C)CCCCC 2230a_100000210580_200000210301 [0,2,0,0,0,0|1,0,0]=3 21224 B11R0.140 CCCCCN(C)CCCCC 2230a_100000223495_100000210326 [0,2,0,0,0,0|1,0,0]=3 21225 B11R0.140 CCCCCN(C)CCCCC 269982a_100000210580_200000210301 [0,2,0,0,0,0|1,0,0]=3 21226 B11R0.140 CCCCCN(C)CCCCC 269982a_100000223495_100000210215 [0,2,0,0,0,0|1,0,0]=3 21227 B11R0.140 CCCCCN(C)CCCCF 2230a_100000223495_100000729493 [0,2,0,0,0,0|1,0,0]=3 21228 B11R0.140 CCCCCN(C)CCCCF 269982a_100000223495_100000729493 [0,2,0,0,0,0|1,0,0]=3 21229 B11R0.140 CCCCCN(C)CCCCO 2230a_100000223495_100000210776 [0,2,0,0,0,0|1,0,0]=3 21230 B11R0.140 CCCCCN(C)CCCCO 2230a_100000717598_100000210326 [0,2,0,0,0,0|1,0,0]=3 21231 B11R0.140 CCCCCN(C)CCCCO 269982a_100000223495_100000210776 [0,2,0,0,0,0|1,0,0]=3 21232 B11R0.140 CCCCCN(C)CCCCO 269982a_100000717598_100000210215 [0,2,0,0,0,0|1,0,0]=3 21233 B11R0.140 CCCCCN(C)CCCOC 2230a_100000223495_100000740836 [0,2,0,0,0,0|1,0,0]=3 21234 B11R0.140 CCCCCN(C)CCCOC 2230a_100000224831_100000210326 [0,2,0,0,0,0|1,0,0]=3 21235 B11R0.140 CCCCCN(C)CCCOC 269982a_100000223495_100000740836 [0,2,0,0,0,0|1,0,0]=3 21236 B11R0.140 CCCCCN(C)CCCOC 269982a_100000224831_100000210215 [0,2,0,0,0,0|1,0,0]=3 21237 B11R0.140 CCCCCN(C)CCOCC 2230a_100000223495_100011215890 [0,2,0,0,0,0|1,0,0]=3 21238 B11R0.140 CCCCCN(C)CCOCC 269982a_100000223495_100011215890 [0,2,0,0,0,0|1,0,0]=3 21239 B11R0.140 CCCCCN(C)CCSCC 2230a_100000223495_100000757381 [0,2,0,0,0,0|1,0,0]=3 21240 B11R0.140 CCCCCN(C)CCSCC 269982a_100000223495_100000757381 [0,2,0,0,0,0|1,0,0]=3 21241 B11R0.140 CCCCCN([13CH3])CCCCC 2230a_100000210580_200025704644 [0,2,0,0,0,0|1,0,0]=3 21242 B11R0.140 CCCCCN([13CH3])CCCCC 269982a_100000210580_200025704644 [0,2,0,0,0,0|1,0,0]=3 21243 B11R0.140 CCCCNC(=O)CCCCO 1626a_100000102301_100000695505 [0,2,0,0,0,0|1,0,1]=4 21244 B11R0.140 CCCCNC(=O)CCCOC 11a_100000102301_100000741012 [0,2,0,0,0,0|1,0,1]=4 21245 B11R0.140 CCCCNC(=O)CCCOC 1626a_100000102301_100000741012 [0,2,0,0,0,0|1,0,1]=4 21246 B11R0.140 CCCCNC(=O)CCCOC 240690a_100000102301_100000741012 [0,2,0,0,0,0|1,0,1]=4 21247 B11R0.140 CCCCNC(=O)CCCOC 527a_100000102301_100000741012 [0,2,0,0,0,0|1,0,1]=4 21248 B11R0.140 CCCCNC(=O)CCCSC 11a_100000102301_100000173376 [0,2,0,0,0,0|1,0,1]=4 21249 B11R0.140 CCCCNC(=O)CCCSC 1626a_100000102301_100000173376 [0,2,0,0,0,0|1,0,1]=4 21250 B11R0.140 CCCCNC(=O)CCCSC 240690a_100000102301_100000173376 [0,2,0,0,0,0|1,0,1]=4 21251 B11R0.140 CCCCNC(=O)CCCSC 527a_100000102301_100000173376 [0,2,0,0,0,0|1,0,1]=4 21252 B11R0.140 CCCCNC(=O)CCOCC 11a_100000102301_100000749530 [0,2,0,0,0,0|1,0,1]=4 21253 B11R0.140 CCCCNC(=O)CCOCC 1626a_100000102301_100000749530 [0,2,0,0,0,0|1,0,1]=4 21254 B11R0.140 CCCCNC(=O)CCOCC 240690a_100000102301_100000749530 [0,2,0,0,0,0|1,0,1]=4 21255 B11R0.140 CCCCNC(=O)CCOCC 527a_100000102301_100000749530 [0,2,0,0,0,0|1,0,1]=4 21256 B11R0.140 CCCCNC(=O)CCSCC 11a_100000102301_100000230768 [0,2,0,0,0,0|1,0,1]=4 21257 B11R0.140 CCCCNC(=O)CCSCC 1626a_100000102301_100000230768 [0,2,0,0,0,0|1,0,1]=4 21258 B11R0.140 CCCCNC(=O)CCSCC 240690a_100000102301_100000230768 [0,2,0,0,0,0|1,0,1]=4 21259 B11R0.140 CCCCNC(=O)CCSCC 527a_100000102301_100000230768 [0,2,0,0,0,0|1,0,1]=4 21260 B11R0.140 CCCCNC(=O)COCCC 11a_100000102301_100000745993 [0,2,0,0,0,0|1,0,1]=4 21261 B11R0.140 CCCCNC(=O)COCCC 1626a_100000102301_100000745993 [0,2,0,0,0,0|1,0,1]=4 21262 B11R0.140 CCCCNC(=O)COCCC 240690a_100000102301_100000745993 [0,2,0,0,0,0|1,0,1]=4 21263 B11R0.140 CCCCNC(=O)COCCC 34a_100000210258_100000182744 [0,2,0,0,0,0|1,0,1]=4 21264 B11R0.140 CCCCNC(=O)COCCC 527a_100000102301_100000745993 [0,2,0,0,0,0|1,0,1]=4 21265 B11R0.140 CCCCNC(=O)CSCCC 11a_100000102301_100000217233 [0,2,0,0,0,0|1,0,1]=4 21266 B11R0.140 CCCCNC(=O)CSCCC 1626a_100000102301_100000217233 [0,2,0,0,0,0|1,0,1]=4 21267 B11R0.140 CCCCNC(=O)CSCCC 240690a_100000102301_100000217233 [0,2,0,0,0,0|1,0,1]=4 21268 B11R0.140 CCCCNC(=O)CSCCC 527a_100000102301_100000217233 [0,2,0,0,0,0|1,0,1]=4 21269 B11R0.140 CCCCNC(=O)CSCCC 62a_100000182744_100000210303 [0,2,0,0,0,0|1,0,1]=4 21270 B11R0.140 CCCCNC(=O)CSCCC 62a_100000210303_100000182744 [0,2,0,0,0,0|1,0,1]=4 21271 B11R0.140 CCCCNC(=O)NCCCC 2708a_100000102301_100000102301 [0,2,0,0,0,0|1,0,1]=4 21272 B11R0.140 CCCCNC(=O)NCCCC 273464a_100000102301_100000102301 [0,2,0,0,0,0|1,0,1]=4 21273 B11R0.140 CCCCNC(=O)NCCCC 512a_100000102301_100000102301 [0,2,0,0,0,0|1,0,1]=4 21274 B11R0.140 CCCCNC(C)CCCC#N 270004a_100000102301_200000032708 [0,2,0,0,0,0|1,0,1]=4 21275 B11R0.140 CCCCNC(C)CCCSC 270004a_100000102301_100011399439 [0,2,0,0,0,0|1,0,0]=3 21276 B11R0.140 CCCCNC(C)CCOCC 270004a_100000102301_200011216536 [0,2,0,0,0,0|1,0,0]=3 21277 B11R0.140 CCCCNC(C)CSCCC 270004a_100000102301_100011343953 [0,2,0,0,0,0|1,0,0]=3 21278 B11R0.140 CCCCOC(=O)CNCCF 34a_100000724931_100000211628 [0,2,0,0,0,0|1,0,1]=4 21279 B11R0.140 CCCCOC(=O)CNCCO 2230a_100016997473_100000211628 [0,2,0,0,0,0|1,0,1]=4 21280 B11R0.140 CCCCOC(=O)CNCCO 34a_100016990907_100000211628 [0,2,0,0,0,0|1,0,1]=4 21281 B11R0.140 CCCCOC(=O)COCCBr 34a_100000211926_100000211628 [0,2,0,0,0,0|1,0,1]=4 21282 B11R0.140 CCCCOC(=O)COCCC 34a_100000210258_100000211628 [0,2,0,0,0,0|0,0,1]=3 21283 B11R0.140 CCCCOC(=O)COCCN 34a_100000210304_100000211628 [0,2,0,0,0,0|1,0,1]=4 21284 B11R0.140 CCCCOC(=O)CSCCC 62a_100000210303_100000211628 [0,2,0,0,0,0|0,0,1]=3 21285 B11R0.140 CCCCOC(=O)CSCCC 62a_100000211628_100000210303 [0,2,0,0,0,0|0,0,1]=3 21286 B11R0.140 CCCCOC(=O)CSCCF 62a_100000211628_100011217306 [0,2,0,0,0,0|1,0,1]=4 21287 B11R0.140 CCCCOC(=O)CSCCF 62a_100011217306_100000211628 [0,2,0,0,0,0|1,0,1]=4 21288 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211628_100000211926 [0,2,0,0,0,0|1,0,1]=4 21289 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211926_100000211628 [0,2,0,0,0,0|1,0,1]=4 21290 B11R0.140 CCCCOC(=O)CSCOC 62a_100000211628_100000766300 [0,2,0,0,0,0|1,0,1]=4 21291 B11R0.140 CCCCOC(=O)CSCOC 62a_100000766300_100000211628 [0,2,0,0,0,0|1,0,1]=4 21292 B11R0.140 CCCCOC(=O)CSCSC 62a_100000211628_100011218213 [0,2,0,0,0,0|1,0,1]=4 21293 B11R0.140 CCCCOC(=O)CSCSC 62a_100011218213_100000211628 [0,2,0,0,0,0|1,0,1]=4 21294 B11R0.140 CCCCOC(C)CCCOC 34a_200011539412_100000210210 [0,2,0,0,0,0|0,0,0]=2 21295 B11R0.140 CCCCOC(C)CCCOC 7a_200011539412_100000210211 [0,2,0,0,0,0|0,0,0]=2 21296 B11R0.140 CCCOCC(=O)CCCCF 1458a_100000745993_100000729493 [0,2,0,0,0,0|2,0,0]=4 21297 B11R0.140 CCCOCC(=O)CCCCO 1458a_100000745993_100000210776 [0,2,0,0,0,0|2,0,0]=4 21298 B11R0.140 CCCOCC(=O)CCCOC 1458a_100000745993_100000740836 [0,2,0,0,0,0|2,0,0]=4 21299 B11R0.140 CCCOCC(=O)CCOCC 1458a_100000745993_100011215890 [0,2,0,0,0,0|2,0,0]=4 21300 B11R0.140 CCCOCC(=O)CCSCC 1458a_100000745993_100000757381 [0,2,0,0,0,0|2,0,0]=4 21301 B11R0.140 CCCOCC(=O)OCCOC 34a_100000210258_200000040189 [0,2,0,0,0,0|1,0,1]=4 21302 B11R0.140 CCCOC[C@@H](N)CCCCN 34a_100016993712_100000210303 [0,2,0,0,0,0|2,0,0]=4 21303 B11R0.140 CCCSCC(=O)CCCCF 1458a_100000217233_100000729493 [0,2,0,0,0,0|2,0,0]=4 21304 B11R0.140 CCCSCC(=O)CCCCO 1458a_100000217233_100000210776 [0,2,0,0,0,0|2,0,0]=4 21305 B11R0.140 CCCSCC(=O)CCCOC 1458a_100000217233_100000740836 [0,2,0,0,0,0|2,0,0]=4 21306 B11R0.140 CCCSCC(=O)CCOCC 1458a_100000217233_100011215890 [0,2,0,0,0,0|2,0,0]=4 21307 B11R0.140 CCCSCC(=O)CCSCC 1458a_100000217233_100000757381 [0,2,0,0,0,0|2,0,0]=4 21308 B11R0.140 CCCSCC(=O)OCCOC 62a_100000210303_200000040189 [0,2,0,0,0,0|1,0,1]=4 21309 B11R0.140 CCCSCC(=O)OCCOC 62a_200000040189_100000210303 [0,2,0,0,0,0|1,0,1]=4 21310 B11R0.140 CCCSCC(C)NCCCF 270004a_100015189416_100011343953 [0,2,0,0,0,0|2,0,0]=4 21311 B11R0.140 CCCSCC(C)NCCCO 270004a_100000182051_100011343953 [0,2,0,0,0,0|2,0,0]=4 21312 B11R0.140 CCCSCC(C)NCCOC 270004a_100000209980_100011343953 [0,2,0,0,0,0|2,0,0]=4 21313 B11R0.140 CCCSCC(C)NCCSC 270004a_100020590264_100011343953 [0,2,0,0,0,0|2,0,0]=4 21314 B11R0.140 CCOCCC(=O)CCCCF 1458a_100000749530_100000729493 [0,2,0,0,0,0|2,0,0]=4 21315 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000695505_100011215890 [0,2,0,0,0,0|2,0,0]=4 21316 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000749530_100000210776 [0,2,0,0,0,0|2,0,0]=4 21317 B11R0.140 CCOCCC(=O)CCCOC 1458a_100000741012_100011215890 [0,2,0,0,0,0|2,0,0]=4 21318 B11R0.140 CCOCCC(=O)CCCOC 1458a_100000749530_100000740836 [0,2,0,0,0,0|2,0,0]=4 21319 B11R0.140 CCOCCC(=O)CCCSC 1458a_100000173376_100011215890 [0,2,0,0,0,0|2,0,0]=4 21320 B11R0.140 CCOCCC(=O)CCOCC 1458a_100000749530_100011215890 [0,2,0,0,0,0|2,0,0]=4 21321 B11R0.140 CCOCCC(=O)CCSCC 1458a_100000230768_100011215890 [0,2,0,0,0,0|2,0,0]=4 21322 B11R0.140 CCOCCC(=O)CCSCC 1458a_100000749530_100000757381 [0,2,0,0,0,0|2,0,0]=4 21323 B11R0.140 CCOCCC(C)NCCCF 270004a_100015189416_200011216536 [0,2,0,0,0,0|2,0,0]=4 21324 B11R0.140 CCOCCC(C)NCCCO 270004a_100000182051_200011216536 [0,2,0,0,0,0|2,0,0]=4 21325 B11R0.140 CCOCCC(C)NCCOC 270004a_100000209980_200011216536 [0,2,0,0,0,0|2,0,0]=4 21326 B11R0.140 CCOCCC(C)NCCSC 270004a_100020590264_200011216536 [0,2,0,0,0,0|2,0,0]=4 21327 B11R0.140 CCOCCN(C)CCCCO 2230a_100000717598_100011215890 [0,2,0,0,0,0|2,0,0]=4 21328 B11R0.140 CCOCCN(C)CCCCO 269982a_100000717598_100011215890 [0,2,0,0,0,0|2,0,0]=4 21329 B11R0.140 CCOCCN(C)CCCOC 2230a_100000224831_100011215890 [0,2,0,0,0,0|2,0,0]=4 21330 B11R0.140 CCOCCN(C)CCCOC 269982a_100000224831_100011215890 [0,2,0,0,0,0|2,0,0]=4 21331 B11R0.140 CCOCCN(C)CCOCC 2230a_100011216575_200000210301 [0,2,0,0,0,0|2,0,0]=4 21332 B11R0.140 CCOCCN(C)CCOCC 269982a_100011216575_200000210301 [0,2,0,0,0,0|2,0,0]=4 21333 B11R0.140 CCOCCN([13CH3])CCOCC 2230a_100011216575_200025704644 [0,2,0,0,0,0|2,0,0]=4 21334 B11R0.140 CCOCCN([13CH3])CCOCC 269982a_100011216575_200025704644 [0,2,0,0,0,0|2,0,0]=4 21335 B11R0.140 CCSCCC(=O)CCCCF 1458a_100000230768_100000729493 [0,2,0,0,0,0|2,0,0]=4 21336 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000230768_100000210776 [0,2,0,0,0,0|2,0,0]=4 21337 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000695505_100000757381 [0,2,0,0,0,0|2,0,0]=4 21338 B11R0.140 CCSCCC(=O)CCCOC 1458a_100000230768_100000740836 [0,2,0,0,0,0|2,0,0]=4 21339 B11R0.140 CCSCCC(=O)CCCOC 1458a_100000741012_100000757381 [0,2,0,0,0,0|2,0,0]=4 21340 B11R0.140 CCSCCC(=O)CCCSC 1458a_100000173376_100000757381 [0,2,0,0,0,0|2,0,0]=4 21341 B11R0.140 CCSCCC(=O)CCSCC 1458a_100000230768_100000757381 [0,2,0,0,0,0|2,0,0]=4 21342 B11R0.140 CCSCCN(C)CCCCO 2230a_100000717598_100000757381 [0,2,0,0,0,0|2,0,0]=4 21343 B11R0.140 CCSCCN(C)CCCCO 269982a_100000717598_100000757381 [0,2,0,0,0,0|2,0,0]=4 21344 B11R0.140 CCSCCN(C)CCCOC 2230a_100000224831_100000757381 [0,2,0,0,0,0|2,0,0]=4 21345 B11R0.140 CCSCCN(C)CCCOC 269982a_100000224831_100000757381 [0,2,0,0,0,0|2,0,0]=4 21346 B11R0.140 CN(CCCCO)CCCCF 2230a_100000717598_100000729493 [0,2,0,0,0,0|2,0,0]=4 21347 B11R0.140 CN(CCCCO)CCCCF 269982a_100000717598_100000729493 [0,2,0,0,0,0|2,0,0]=4 21348 B11R0.140 CN(CCCCO)CCCCO 2230a_100000717598_100000210776 [0,2,0,0,0,0|2,0,0]=4 21349 B11R0.140 CN(CCCCO)CCCCO 2230a_100012279056_200000210301 [0,2,0,0,0,0|2,0,0]=4 21350 B11R0.140 CN(CCCCO)CCCCO 269982a_100000717598_100000210776 [0,2,0,0,0,0|2,0,0]=4 21351 B11R0.140 CN(CCCCO)CCCCO 34a_100012279056_200000210301 [0,2,0,0,0,0|2,0,0]=4 21352 B11R0.140 COCCCC(=O)CCCCF 1458a_100000741012_100000729493 [0,2,0,0,0,0|2,0,0]=4 21353 B11R0.140 COCCCC(=O)CCCCO 1458a_100000695505_100000740836 [0,2,0,0,0,0|2,0,0]=4 21354 B11R0.140 COCCCC(=O)CCCCO 1458a_100000741012_100000210776 [0,2,0,0,0,0|2,0,0]=4 21355 B11R0.140 COCCCC(=O)CCCOC 1458a_100000741012_100000740836 [0,2,0,0,0,0|2,0,0]=4 21356 B11R0.140 COCCCC(=O)CCCSC 1458a_100000173376_100000740836 [0,2,0,0,0,0|2,0,0]=4 21357 B11R0.140 COCCCC(C)OCCC#N 7a_200011539412_100000184422 [0,2,0,0,0,0|1,0,1]=4 21358 B11R0.140 COCCCC(C)OCCCF 34a_200011539412_100011934791 [0,2,0,0,0,0|1,0,0]=3 21359 B11R0.140 COCCCC(C)OCCCF 7a_200011539412_100011934791 [0,2,0,0,0,0|1,0,0]=3 21360 B11R0.140 COCCCC(C)OCCCO 34a_200011539412_100000230001 [0,2,0,0,0,0|1,0,0]=3 21361 B11R0.140 COCCCC(C)OCCCO 7a_200011539412_100011215043 [0,2,0,0,0,0|1,0,0]=3 21362 B11R0.140 COCCCC(C)OCCOC 34a_200011539412_100011201679 [0,2,0,0,0,0|1,0,0]=3 21363 B11R0.140 COCCCC(C)OCCOC 7a_200011539412_100000233755 [0,2,0,0,0,0|1,0,0]=3 21364 B11R0.140 COCCCC(C)OCCSC 34a_200011539412_100000212216 [0,2,0,0,0,0|1,0,0]=3 21365 B11R0.140 COCCCC(C)OCCSC 7a_200011539412_100000212216 [0,2,0,0,0,0|1,0,0]=3 21366 B11R0.140 COCCCN(C)CCCCF 2230a_100000224831_100000729493 [0,2,0,0,0,0|2,0,0]=4 21367 B11R0.140 COCCCN(C)CCCCF 269982a_100000224831_100000729493 [0,2,0,0,0,0|2,0,0]=4 21368 B11R0.140 COCCCN(C)CCCCO 2230a_100000224831_100000210776 [0,2,0,0,0,0|2,0,0]=4 21369 B11R0.140 COCCCN(C)CCCCO 2230a_100000717598_100000740836 [0,2,0,0,0,0|2,0,0]=4 21370 B11R0.140 COCCCN(C)CCCCO 269982a_100000224831_100000210776 [0,2,0,0,0,0|2,0,0]=4 21371 B11R0.140 COCCCN(C)CCCCO 269982a_100000717598_100000740836 [0,2,0,0,0,0|2,0,0]=4 21372 B11R0.140 COCCCN(C)CCCOC 2230a_100000224831_100000740836 [0,2,0,0,0,0|2,0,0]=4 21373 B11R0.140 COCCCN(C)CCCOC 269982a_100000224831_100000740836 [0,2,0,0,0,0|2,0,0]=4 21374 B11R0.140 COCCNC(C)CCCSC 270004a_100000209980_100011399439 [0,2,0,0,0,0|2,0,0]=4 21375 B11R0.140 CSCCCC(=O)CCCCF 1458a_100000173376_100000729493 [0,2,0,0,0,0|2,0,0]=4 21376 B11R0.140 CSCCCC(=O)CCCCO 1458a_100000173376_100000210776 [0,2,0,0,0,0|2,0,0]=4 21377 B11R0.140 CSCCCC(C)NCCCF 270004a_100015189416_100011399439 [0,2,0,0,0,0|2,0,0]=4 21378 B11R0.140 CSCCCC(C)NCCCO 270004a_100000182051_100011399439 [0,2,0,0,0,0|2,0,0]=4 21379 B11R0.140 CSCCCC(C)NCCSC 270004a_100020590264_100011399439 [0,2,0,0,0,0|2,0,0]=4 21380 B11R0.140 O=C(CCCCO)CCCCF 1458a_100000695505_100000729493 [0,2,0,0,0,0|2,0,0]=4 21381 B11R0.140 O=C(CCCCO)CCCCO 1458a_100000695505_100000210776 [0,2,0,0,0,0|2,0,0]=4 21382 B11R0.140 [13CH3]N(CCCCO)CCCCO 2230a_100012279056_200025704644 [0,2,0,0,0,0|2,0,0]=4 21383 B11R0.140 [13CH3]N(CCCCO)CCCCO 34a_100012279056_200025704644 [0,2,0,0,0,0|2,0,0]=4 21384 B11R0.49 C#CCCCOCC(C)(C)CC 7a_100000765029_100011215417 [0,2,0,0,0,0|0,0,2]=4 21385 B11R0.49 C=CCCCOCC(C)(C)CC 7a_100000765029_100000757094 [0,2,0,0,0,0|0,0,2]=4 21386 B11R0.49 CC(C)(CCl)COCCCCF 7a_100011217199_100000729493 [0,2,0,0,0,0|2,0,0]=4 21387 B11R0.49 CC(C)(CCl)COCCCCO 7a_100011217199_100000210776 [0,2,0,0,0,0|2,0,0]=4 21388 B11R0.49 CC(C)(CO)COCCCCBr 34a_100011216708_100009813988 [0,2,0,0,0,0|2,0,0]=4 21389 B11R0.49 CC(C)(CO)COCCCCCl 34a_100000210776_100009813988 [0,2,0,0,0,0|2,0,0]=4 21390 B11R0.49 CC(C)(CO)COCCCCCl 7a_100000210776_100009813988 [0,2,0,0,0,0|2,0,0]=4 21391 B11R0.49 CC(C)(CO)COCCCCF 34a_100011995726_100009813988 [0,2,0,0,0,0|2,0,0]=4 21392 B11R0.49 CC(C)(CO)COCCCCF 7a_100011995726_100009813988 [0,2,0,0,0,0|2,0,0]=4 21393 B11R0.49 CC(C)(CO)COCCCCI 34a_200012148704_100009813988 [0,2,0,0,0,0|2,0,0]=4 21394 B11R0.49 CC(C)(CO)COCCCCN 34a_100000750430_100009813988 [0,2,0,0,0,0|2,0,0]=4 21395 B11R0.49 CC/C=C\COCC(C)(C)CC 7a_100000765029_100103147603 [0,2,0,0,0,0|0,0,2]=4 21396 B11R0.49 CCC#CCOCC(C)(C)CC 7a_100000765029_100009813939 [0,2,0,0,0,0|0,0,2]=4 21397 B11R0.49 CCC(C)(C)COCCCC#N 7a_100000765029_100000687738 [0,2,0,0,0,0|1,0,1]=4 21398 B11R0.49 CCC(C)(C)COCCCC=O 7a_100000765029_200011292268 [0,2,0,0,0,0|1,0,1]=4 21399 B11R0.49 CCC(C)(C)COCCCCF 7a_100000765029_100000729493 [0,2,0,0,0,0|1,0,0]=3 21400 B11R0.49 CCC(C)(C)COCCCCO 7a_100000765029_100000210776 [0,2,0,0,0,0|1,0,0]=3 21401 B11R0.49 CCC(C)(C)COCCCOC 7a_100000765029_100000740836 [0,2,0,0,0,0|1,0,0]=3 21402 B11R0.49 CCC(C)(C)NCOCCOC 2230a_100000211385_100000231047 [0,2,0,0,0,0|2,0,0]=4 21403 B11R0.49 CCC(C)(C)SCOCCOC 62a_100000032637_100000231047 [0,2,0,0,0,0|2,0,0]=4 21404 B11R0.49 CCC(C)(C)SCOCCOC 62a_100000231047_100000032637 [0,2,0,0,0,0|2,0,0]=4 21405 B11R0.49 CCCCCCCC(C)(C)NC 34a_100102657272_200000046972 [0,2,0,0,0,0|2,0,0]=4 21406 B11R0.49 CCCCCCCC(C)(C)NC 7a_106832991635_200000046972 [0,2,0,0,0,0|2,0,0]=4 21407 B11R0.49 CCCCCCCC(C)(C)OC 34a_100138415774_200000046972 [0,2,0,0,0,0|2,0,0]=4 21408 B11R0.49 CCCCCCCC(C)(C)SC 62a_200000046972_200000210301 [0,2,0,0,0,0|2,0,0]=4 21409 B11R0.49 CCCCCCCC(C)(C)SC 62a_200000210301_200000046972 [0,2,0,0,0,0|2,0,0]=4 21410 B11R0.49 CCCCCCCC(C)(C)S[13CH3] 62a_200000046972_200025704644 [0,2,0,0,0,0|2,0,0]=4 21411 B11R0.49 CCCCCCCC(C)(C)S[13CH3] 62a_200025704644_200000046972 [0,2,0,0,0,0|2,0,0]=4 21412 B11R0.49 CCCCCCNC(C)(C)CC 2230a_100000211385_100000210314 [0,2,0,0,0,0|2,0,0]=4 21413 B11R0.49 CCCCCCOC(C)(C)CC 7a_100000210230_100000210314 [0,2,0,0,0,0|2,0,0]=4 21414 B11R0.49 CCCCCCOC(C)(C)CC 7a_100000210259_100000210677 [0,2,0,0,0,0|2,0,0]=4 21415 B11R0.49 CCCCCCSC(C)(C)CC 62a_100000032637_100000210757 [0,2,0,0,0,0|2,0,0]=4 21416 B11R0.49 CCCCCCSC(C)(C)CC 62a_100000210314_100000032637 [0,2,0,0,0,0|2,0,0]=4 21417 B11R0.49 CCCCCNCC(C)(C)CO 2230a_100020635058_100000210326 [0,2,0,0,0,0|2,0,0]=4 21418 B11R0.49 CCCCCNCC(C)(C)OC 2230a_100000763424_100000210326 [0,2,0,0,0,0|2,0,0]=4 21419 B11R0.49 CCCCCNCC(C)(C)SC 270004a_100000209983_100009845794 [0,2,0,0,0,0|2,0,0]=4 21420 B11R0.49 CCCCCOCC(C)(C)CC 7a_100000765029_100000210326 [0,2,0,0,0,0|0,0,0]=2 21421 B11R0.49 CCCCCOCC(C)(C)CCl 7a_100011217199_100000210326 [0,2,0,0,0,0|1,0,0]=3 21422 B11R0.49 CCCCCOCC(C)(C)CO 34a_100000210253_100009813988 [0,2,0,0,0,0|1,0,0]=3 21423 B11R0.49 CCCCCOCC(C)(C)CO 7a_100000210253_100009813988 [0,2,0,0,0,0|1,0,0]=3 21424 B11R0.49 CCCCCOCC(C)(C)OC 34a_100000210253_100000701081 [0,2,0,0,0,0|1,0,0]=3 21425 B11R0.49 CCCCCOCC(F)(F)CN 34a_100000703232_100000718602 [0,2,0,0,0,0|1,0,0]=3 21426 B11R0.49 CCCCCSCC(C)(C)CO 62a_100000210326_100009813988 [0,2,0,0,0,0|1,1,0]=4 21427 B11R0.49 CCCCCSCC(C)(C)CO 62a_100009813988_100000210326 [0,2,0,0,0,0|1,1,0]=4 21428 B11R0.49 CCCCCSCC(C)(C)OC 62a_100000210326_100000701081 [0,2,0,0,0,0|1,1,0]=4 21429 B11R0.49 CCCCCSCC(C)(C)OC 62a_100000701081_100000210326 [0,2,0,0,0,0|1,1,0]=4 21430 B11R0.49 CCCCNCCS(=O)(=O)CC 2230a_100000102301_100000756660 [0,2,0,0,0,0|2,0,0]=4 21431 B11R0.49 CCCCNCCS(=O)(=O)CC 2230a_100000751051_100000210211 [0,2,0,0,0,0|2,0,0]=4 21432 B11R0.49 CCCCNCCS(=O)(=O)CC 34a_100000751051_100000210210 [0,2,0,0,0,0|2,0,0]=4 21433 B11R0.49 CCCCNCCS(=O)(=O)CC 7a_106832991798_100000756660 [0,2,0,0,0,0|2,0,0]=4 21434 B11R0.49 CCCCOCCC(C)(C)OC 7a_100000699976_100000210211 [0,2,0,0,0,0|1,0,0]=3 21435 B11R0.49 CCCCOCCS(=O)(=O)CC 34a_100000210227_100000756660 [0,2,0,0,0,0|1,0,0]=3 21436 B11R0.49 CCCCOCCS(=O)(=O)CC 34a_200011216379_100000210210 [0,2,0,0,0,0|1,0,0]=3 21437 B11R0.49 CCCCOCCS(=O)(=O)CC 7a_100000210227_100000756660 [0,2,0,0,0,0|1,0,0]=3 21438 B11R0.49 CCCCOCCS(=O)(=O)CC 7a_200011216379_100000210211 [0,2,0,0,0,0|1,0,0]=3 21439 B11R0.49 CCCCOCNC(C)(C)CC 2230a_100000211385_100011995733 [0,2,0,0,0,0|1,0,0]=3 21440 B11R0.49 CCCCOCNC(C)(C)CO 2230a_100000210608_100011995733 [0,2,0,0,0,0|2,0,0]=4 21441 B11R0.49 CCCCOCSC(C)(C)CC 62a_100000032637_100011995733 [0,2,0,0,0,0|1,0,0]=3 21442 B11R0.49 CCCCOCSC(C)(C)CC 62a_100011995733_100000032637 [0,2,0,0,0,0|1,0,0]=3 21443 B11R0.49 CCCCOCSC(F)(F)CO 62a_100011217949_100011995733 [0,2,0,0,0,0|2,0,0]=4 21444 B11R0.49 CCCCOCSC(F)(F)CO 62a_100011995733_100011217949 [0,2,0,0,0,0|2,0,0]=4 21445 B11R0.49 CCCCSCCS(=O)(=O)CC 62a_100000210211_100000756660 [0,2,0,0,0,0|1,1,0]=4 21446 B11R0.49 CCCCSCCS(=O)(=O)CC 62a_100000756660_100000210210 [0,2,0,0,0,0|1,1,0]=4 21447 B11R0.49 CCOCCOCC(C)(C)CC 7a_100000765029_100011215890 [0,2,0,0,0,0|1,0,0]=3 21448 B11R0.49 CCOCCOCC(C)(C)CCl 7a_100011217199_100011215890 [0,2,0,0,0,0|2,0,0]=4 21449 B11R0.49 CCOCCOCC(C)(C)CO 34a_100000210136_100009813988 [0,2,0,0,0,0|2,0,0]=4 21450 B11R0.49 CCOCCOCC(C)(C)CO 7a_100000210136_100009813988 [0,2,0,0,0,0|2,0,0]=4 21451 B11R0.49 CCOCCOCC(C)(C)OC 34a_100000210136_100000701081 [0,2,0,0,0,0|2,0,0]=4 21452 B11R0.49 CCOCCOCC(F)(F)CN 34a_100000703232_100000210147 [0,2,0,0,0,0|2,0,0]=4 21453 B11R0.49 CCS(=O)(=O)CCOCCCBr 34a_100011217188_100000756660 [0,2,0,0,0,0|2,0,0]=4 21454 B11R0.49 CCS(=O)(=O)CCOCCCCl 34a_100000230001_100000756660 [0,2,0,0,0,0|2,0,0]=4 21455 B11R0.49 CCS(=O)(=O)CCOCCCF 34a_100000759539_100000756660 [0,2,0,0,0,0|2,0,0]=4 21456 B11R0.49 CCS(=O)(=O)CCOCCCF 34a_200011216379_100011934791 [0,2,0,0,0,0|2,0,0]=4 21457 B11R0.49 CCS(=O)(=O)CCOCCCF 7a_200011216379_100011934791 [0,2,0,0,0,0|2,0,0]=4 21458 B11R0.49 CCS(=O)(=O)CCOCCCN 34a_100000182051_100000756660 [0,2,0,0,0,0|2,0,0]=4 21459 B11R0.49 CCS(=O)(=O)CCOCCCO 34a_200011216379_100000230001 [0,2,0,0,0,0|2,0,0]=4 21460 B11R0.49 CCS(=O)(=O)CCOCCCO 7a_200011216379_100011215043 [0,2,0,0,0,0|2,0,0]=4 21461 B11R0.49 CCS(=O)(=O)CCOCCOC 34a_100000210237_100000756660 [0,2,0,0,0,0|2,0,0]=4 21462 B11R0.49 CCS(=O)(=O)CCOCCOC 34a_200011216379_100011201679 [0,2,0,0,0,0|2,0,0]=4 21463 B11R0.49 CCS(=O)(=O)CCOCCOC 7a_200011216379_100000233755 [0,2,0,0,0,0|2,0,0]=4 21464 B11R0.49 CCS(=O)(=O)CCOCCSC 34a_100000230434_100000756660 [0,2,0,0,0,0|2,0,0]=4 21465 B11R0.49 CCS(=O)(=O)CCOCCSC 34a_200011216379_100000212216 [0,2,0,0,0,0|2,0,0]=4 21466 B11R0.49 CCS(=O)(=O)CCOCCSC 7a_100000230434_100000756660 [0,2,0,0,0,0|2,0,0]=4 21467 B11R0.49 CCS(=O)(=O)CCOCCSC 7a_200011216379_100000212216 [0,2,0,0,0,0|2,0,0]=4 21468 B11R0.49 CCSCCOCC(C)(C)CC 7a_100000765029_100000757381 [0,2,0,0,0,0|1,0,0]=3 21469 B11R0.49 CCSCCOCC(C)(C)CCl 7a_100011217199_100000757381 [0,2,0,0,0,0|2,0,0]=4 21470 B11R0.49 CCSCCOCC(C)(C)CO 34a_100000212035_100009813988 [0,2,0,0,0,0|2,0,0]=4 21471 B11R0.49 CCSCCOCC(C)(C)CO 7a_100000212035_100009813988 [0,2,0,0,0,0|2,0,0]=4 21472 B11R0.49 CCSCCOCC(C)(C)OC 34a_100000212035_100000701081 [0,2,0,0,0,0|2,0,0]=4 21473 B11R0.49 CCSCCOCC(F)(F)CN 34a_100000703232_100000757381 [0,2,0,0,0,0|2,0,0]=4 21474 B11R0.49 CNCCCOCC(C)(C)CO 34a_100000213112_100009813988 [0,2,0,0,0,0|2,0,0]=4 21475 B11R0.49 CNCCCOCC(C)(C)OC 34a_100000213112_100000701081 [0,2,0,0,0,0|2,0,0]=4 21476 B11R0.49 COC(C)(C)CCOCCCF 7a_100000699976_100011934791 [0,2,0,0,0,0|2,0,0]=4 21477 B11R0.49 COC(C)(C)CCOCCCO 7a_100000699976_100011215043 [0,2,0,0,0,0|2,0,0]=4 21478 B11R0.49 COC(C)(C)CCOCCSC 7a_100000699976_100000212216 [0,2,0,0,0,0|2,0,0]=4 21479 B11R0.49 COC(C)(C)COCCCCBr 34a_100011216708_100000701081 [0,2,0,0,0,0|2,0,0]=4 21480 B11R0.49 COC(C)(C)COCCCCCl 34a_100000210776_100000701081 [0,2,0,0,0,0|2,0,0]=4 21481 B11R0.49 COC(C)(C)COCCCCF 34a_100011995726_100000701081 [0,2,0,0,0,0|2,0,0]=4 21482 B11R0.49 COC(C)(C)COCCCCI 34a_200012148704_100000701081 [0,2,0,0,0,0|2,0,0]=4 21483 B11R0.49 COC(C)(C)COCCCCN 34a_100000750430_100000701081 [0,2,0,0,0,0|2,0,0]=4 21484 B11R0.49 COC(C)(C)COCCCSC 34a_100000690336_100000701081 [0,2,0,0,0,0|2,0,0]=4 21485 B11R0.49 COCCCOCC(C)(C)CCl 7a_100011217199_100000740836 [0,2,0,0,0,0|2,0,0]=4 21486 B11R0.49 COCCCOCC(C)(C)CO 34a_100000740835_100009813988 [0,2,0,0,0,0|2,0,0]=4 21487 B11R0.49 COCCCOCC(C)(C)OC 34a_100000740835_100000701081 [0,2,0,0,0,0|2,0,0]=4 21488 B11R0.49 COCCCOCC(F)(F)CN 34a_100000703232_100000740836 [0,2,0,0,0,0|2,0,0]=4 21489 B11R0.49 COCCOCCC(C)(C)OC 7a_100000699976_100000233755 [0,2,0,0,0,0|2,0,0]=4 21490 B11R0.49 CSCCCOCC(C)(C)CO 34a_100000690336_100009813988 [0,2,0,0,0,0|2,0,0]=4 21491 B11R0.49 CSCCCOCC(C)(C)CO 7a_100000690336_100009813988 [0,2,0,0,0,0|2,0,0]=4 21492 B11R0.49 NCC(F)(F)COCCCCF 34a_100000703232_100000729493 [0,2,0,0,0,0|2,0,0]=4 21493 B11R0.49 NCC(F)(F)COCCCCO 34a_100000703232_100011216708 [0,2,0,0,0,0|2,0,0]=4 21494 B11R0.70 C=CC(C)COC(C)CCCC 34a_100011215527_200011215066 [0,2,0,0,0,0|0,0,2]=4 21495 B11R0.70 C=CC(C)COC(C)CCCC 7a_100011215527_200011215066 [0,2,0,0,0,0|0,0,2]=4 21496 B11R0.70 C=CC(O)COC(C)CCCC 34a_100000687866_100000730141 [0,2,0,0,0,0|0,0,2]=4 21497 B11R0.70 C=CC(O)COC(C)CCCC 7a_100000687866_100000730141 [0,2,0,0,0,0|0,0,2]=4 21498 B11R0.70 C=CCCC(C)OCC(C)CC 34a_100000765329_100000748023 [0,2,0,0,0,0|0,0,2]=4 21499 B11R0.70 C=CCCC(C)OCC(C)CC 7a_100000765329_100000748023 [0,2,0,0,0,0|0,0,2]=4 21500 B11R0.70 C=CCCC(C)OCC(O)CC 34a_100000765329_100011218378 [0,2,0,0,0,0|0,0,2]=4 21501 B11R0.70 C=CCCC(C)OCC(O)CC 7a_100000765329_100011218378 [0,2,0,0,0,0|0,0,2]=4 21502 B11R0.70 C=CCCC(C)OC[C@@H](C)CC 34a_100000765329_100009816398 [0,2,0,0,0,0|0,0,2]=4 21503 B11R0.70 C=CCCC(C)OC[C@@H](C)CC 7a_100000765329_100009816398 [0,2,0,0,0,0|0,0,2]=4 21504 B11R0.70 C=C[C@H](N)COC(C)CCCC 34a_100016989147_200011215066 [0,2,0,0,0,0|0,0,2]=4 21505 B11R0.70 CC(CCCCl)OCC(O)CO 34a_200000718107_100011219619 [0,2,0,0,0,0|2,0,0]=4 21506 B11R0.70 CC(CCCCl)OCC(O)CO 7a_200000718107_100011219619 [0,2,0,0,0,0|2,0,0]=4 21507 B11R0.70 CC(CCCCl)OC[C@@H](C)CO 34a_200000718107_100000059175 [0,2,0,0,0,0|2,0,0]=4 21508 B11R0.70 CC(CCCCl)OC[C@@H](C)CO 7a_200000718107_100000059175 [0,2,0,0,0,0|2,0,0]=4 21509 B11R0.70 CC(CCCCl)OC[C@@H](O)CF 34a_200000718107_100015614560 [0,2,0,0,0,0|2,0,0]=4 21510 B11R0.70 CC(CCCCl)OC[C@@H](O)CF 7a_200000718107_100015614560 [0,2,0,0,0,0|2,0,0]=4 21511 B11R0.70 CC(CCCCl)OC[C@@H](O)CO 34a_200000718107_100009815848 [0,2,0,0,0,0|2,0,0]=4 21512 B11R0.70 CC(CCCCl)OC[C@@H](O)CO 7a_200000718107_100009815848 [0,2,0,0,0,0|2,0,0]=4 21513 B11R0.70 CCC#CC(C)OCC(C)CC 34a_100000033903_100000748023 [0,2,0,0,0,0|0,0,2]=4 21514 B11R0.70 CCC#CC(C)OCC(C)CC 7a_100000033903_100000748023 [0,2,0,0,0,0|0,0,2]=4 21515 B11R0.70 CCC#CC(C)OCC(O)CC 34a_100000033903_100011218378 [0,2,0,0,0,0|0,0,2]=4 21516 B11R0.70 CCC#CC(C)OCC(O)CC 7a_100000033903_100011218378 [0,2,0,0,0,0|0,0,2]=4 21517 B11R0.70 CCC#CC(C)OC[C@@H](C)CC 34a_100000033903_100009816398 [0,2,0,0,0,0|0,0,2]=4 21518 B11R0.70 CCC#CC(C)OC[C@@H](C)CC 7a_100000033903_100009816398 [0,2,0,0,0,0|0,0,2]=4 21519 B11R0.70 CCC(=O)COC(C)CCCCl 7a_200000718107_100000747405 [0,2,0,0,0,0|1,0,1]=4 21520 B11R0.70 CCC(C)CCC(=O)CCCF 1458a_100000701222_100011934791 [0,2,0,0,0,0|2,0,0]=4 21521 B11R0.70 CCC(C)CCC(=O)CCCO 1458a_100000701222_100011215043 [0,2,0,0,0,0|2,0,0]=4 21522 B11R0.70 CCC(C)CCC(=O)CCOC 1458a_100000701222_100000233755 [0,2,0,0,0,0|2,0,0]=4 21523 B11R0.70 CCC(C)CCC(=O)CCSC 1458a_100000701222_100000751147 [0,2,0,0,0,0|2,0,0]=4 21524 B11R0.70 CCC(C)CNC(C)CCOC 270004a_100020588543_100000742357 [0,2,0,0,0,0|2,0,0]=4 21525 B11R0.70 CCC(C)CNC(C)CCSC 270004a_100020588543_100011217047 [0,2,0,0,0,0|2,0,0]=4 21526 B11R0.70 CCC(C)COC(C)CCCCl 34a_200000718107_100000748023 [0,2,0,0,0,0|1,0,0]=3 21527 B11R0.70 CCC(C)COC(C)CCCCl 7a_200000718107_100000748023 [0,2,0,0,0,0|1,0,0]=3 21528 B11R0.70 CCC(O)CNC(C)CCOC 270004a_100011218483_100000742357 [0,2,0,0,0,0|2,0,0]=4 21529 B11R0.70 CCC(O)CNC(C)CCSC 270004a_100011218483_100011217047 [0,2,0,0,0,0|2,0,0]=4 21530 B11R0.70 CCC(O)COC(C)CCCCl 34a_200000718107_100011218378 [0,2,0,0,0,0|1,0,0]=3 21531 B11R0.70 CCC(O)COC(C)CCCCl 7a_200000718107_100011218378 [0,2,0,0,0,0|1,0,0]=3 21532 B11R0.70 CCCCC(=O)CCC(C)CC 1458a_100000701222_100000210211 [0,2,0,0,0,0|1,0,0]=3 21533 B11R0.70 CCCCC(=O)CCN(C)CC 1458a_100000755305_100000210211 [0,2,0,0,0,0|2,0,0]=4 21534 B11R0.70 CCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210211 [0,2,0,0,0,0|2,0,0]=4 21535 B11R0.70 CCCCC(=O)NCC(C)CC 11a_100020588543_100000210183 [0,2,0,0,0,0|1,0,1]=4 21536 B11R0.70 CCCCC(=O)NCC(C)CC 1626a_100020588543_100000210183 [0,2,0,0,0,0|1,0,1]=4 21537 B11R0.70 CCCCC(=O)NCC(C)CC 240690a_100020588543_100000210183 [0,2,0,0,0,0|1,0,1]=4 21538 B11R0.70 CCCCC(=O)NCC(C)CC 527a_100020588543_100000210183 [0,2,0,0,0,0|1,0,1]=4 21539 B11R0.70 CCCCC(=O)NCC(O)CC 11a_100011218483_100000210183 [0,2,0,0,0,0|1,0,1]=4 21540 B11R0.70 CCCCC(=O)NCC(O)CC 240690a_100011218483_100000210183 [0,2,0,0,0,0|1,0,1]=4 21541 B11R0.70 CCCCC(=O)NCC(O)CC 527a_100011218483_100000210183 [0,2,0,0,0,0|1,0,1]=4 21542 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [0,2,0,0,0,0|1,0,1]=4 21543 B11R0.70 CCCCC(C)COC(C)CC 34a_100011995851_100011215416 [0,2,0,0,0,0|2,0,0]=4 21544 B11R0.70 CCCCC(C)COC(C)CC 7a_100011995851_100000758301 [0,2,0,0,0,0|2,0,0]=4 21545 B11R0.70 CCCCC(C)NCC(C)CC 2230a_100000126638_100000748023 [0,2,0,0,0,0|1,0,0]=3 21546 B11R0.70 CCCCC(C)NCC(C)CC 2230a_100020588543_200011215066 [0,2,0,0,0,0|1,0,0]=3 21547 B11R0.70 CCCCC(C)NCC(C)CC 270004a_100000126638_100000243153 [0,2,0,0,0,0|1,0,0]=3 21548 B11R0.70 CCCCC(C)NCC(C)CC 270004a_100020588543_100000210087 [0,2,0,0,0,0|1,0,0]=3 21549 B11R0.70 CCCCC(C)NCC(C)CO 34a_100000744482_200011215066 [0,2,0,0,0,0|2,0,0]=4 21550 B11R0.70 CCCCC(C)NCC(O)CC 2230a_100000126638_100011218378 [0,2,0,0,0,0|1,0,0]=3 21551 B11R0.70 CCCCC(C)NCC(O)CC 2230a_100011218483_200011215066 [0,2,0,0,0,0|1,0,0]=3 21552 B11R0.70 CCCCC(C)NCC(O)CC 270004a_100011218483_100000210087 [0,2,0,0,0,0|1,0,0]=3 21553 B11R0.70 CCCCC(C)NCC(O)CO 2230a_100000126638_100011219619 [0,2,0,0,0,0|2,0,0]=4 21554 B11R0.70 CCCCC(C)NC[C@@H](C)CC 2230a_100000126638_100009816398 [0,2,0,0,0,0|1,0,0]=3 21555 B11R0.70 CCCCC(C)NC[C@@H](C)CO 2230a_100000126638_100000059175 [0,2,0,0,0,0|2,0,0]=4 21556 B11R0.70 CCCCC(C)NC[C@@H](C)OC 2230a_100020591295_200011215066 [0,2,0,0,0,0|2,0,0]=4 21557 B11R0.70 CCCCC(C)NC[C@@H](C)OC 270004a_100020591295_100000210087 [0,2,0,0,0,0|2,0,0]=4 21558 B11R0.70 CCCCC(C)NC[C@@H](F)CO 270004a_100015665980_100000210087 [0,2,0,0,0,0|2,0,0]=4 21559 B11R0.70 CCCCC(C)NC[C@@H](F)CO 34a_100015665980_200011215066 [0,2,0,0,0,0|2,0,0]=4 21560 B11R0.70 CCCCC(C)NC[C@@H](O)CF 2230a_100000126638_100015614560 [0,2,0,0,0,0|2,0,0]=4 21561 B11R0.70 CCCCC(C)NC[C@@H](O)CO 2230a_100000126638_100009815848 [0,2,0,0,0,0|2,0,0]=4 21562 B11R0.70 CCCCC(C)NC[C@H](O)CO 2230a_100020644852_200011215066 [0,2,0,0,0,0|2,0,0]=4 21563 B11R0.70 CCCCC(C)OCC(=O)CC 34a_100000725409_200011215066 [0,2,0,0,0,0|0,0,1]=3 21564 B11R0.70 CCCCC(C)OCC(=O)CC 7a_100000687866_100000747405 [0,2,0,0,0,0|0,0,1]=3 21565 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000687866_100000183359 [0,2,0,0,0,0|1,0,1]=4 21566 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000750040_200011215066 [0,2,0,0,0,0|1,0,1]=4 21567 B11R0.70 CCCCC(C)OCC(=O)NC 7a_100000687866_100000183359 [0,2,0,0,0,0|1,0,1]=4 21568 B11R0.70 CCCCC(C)OCC(=O)OC 34a_100000687866_100000747449 [0,2,0,0,0,0|1,0,1]=4 21569 B11R0.70 CCCCC(C)OCC(=O)OC 7a_100000687866_100000747449 [0,2,0,0,0,0|1,0,1]=4 21570 B11R0.70 CCCCC(C)OCC(C)CC 34a_100000687866_100000748023 [0,2,0,0,0,0|0,0,0]=2 21571 B11R0.70 CCCCC(C)OCC(C)CC 7a_100000687866_100000748023 [0,2,0,0,0,0|0,0,0]=2 21572 B11R0.70 CCCCC(C)OCC(C)CN 34a_100000744482_200011215066 [0,2,0,0,0,0|1,0,0]=3 21573 B11R0.70 CCCCC(C)OCC(C)OC 34a_100000690652_200011215066 [0,2,0,0,0,0|1,0,0]=3 21574 B11R0.70 CCCCC(C)OCC(Cl)CCl 34a_100000033668_200011215066 [0,2,0,0,0,0|1,0,0]=3 21575 B11R0.70 CCCCC(C)OCC(O)CC 34a_100000687866_100011218378 [0,2,0,0,0,0|0,0,0]=2 21576 B11R0.70 CCCCC(C)OCC(O)CC 7a_100000687866_100011218378 [0,2,0,0,0,0|0,0,0]=2 21577 B11R0.70 CCCCC(C)OCC(O)CO 34a_100000687866_100011219619 [0,2,0,0,0,0|1,0,0]=3 21578 B11R0.70 CCCCC(C)OCC(O)CO 7a_100000687866_100011219619 [0,2,0,0,0,0|1,0,0]=3 21579 B11R0.70 CCCCC(C)OC[C@@H](C)CC 34a_100000687866_100009816398 [0,2,0,0,0,0|0,0,0]=2 21580 B11R0.70 CCCCC(C)OC[C@@H](C)CC 7a_100000687866_100009816398 [0,2,0,0,0,0|0,0,0]=2 21581 B11R0.70 CCCCC(C)OC[C@@H](C)CC 7a_100009816381_200011215066 [0,2,0,0,0,0|0,0,0]=2 21582 B11R0.70 CCCCC(C)OC[C@@H](C)CO 34a_100000687866_100000059175 [0,2,0,0,0,0|1,0,0]=3 21583 B11R0.70 CCCCC(C)OC[C@@H](C)CO 7a_100000687866_100000059175 [0,2,0,0,0,0|1,0,0]=3 21584 B11R0.70 CCCCC(C)OC[C@@H](O)CF 34a_100000687866_100015614560 [0,2,0,0,0,0|1,0,0]=3 21585 B11R0.70 CCCCC(C)OC[C@@H](O)CF 7a_100000687866_100015614560 [0,2,0,0,0,0|1,0,0]=3 21586 B11R0.70 CCCCC(C)OC[C@@H](O)CO 34a_100000687866_100009815848 [0,2,0,0,0,0|1,0,0]=3 21587 B11R0.70 CCCCC(C)OC[C@@H](O)CO 7a_100000687866_100009815848 [0,2,0,0,0,0|1,0,0]=3 21588 B11R0.70 CCCCC(C)OC[C@H](F)CN 34a_100015665980_200011215066 [0,2,0,0,0,0|1,0,0]=3 21589 B11R0.70 CCCCC(C)SCC(=O)CC 62a_100000747405_200011215066 [0,2,0,0,0,0|0,1,1]=4 21590 B11R0.70 CCCCC(C)SCC(=O)CC 62a_200011215066_100000747405 [0,2,0,0,0,0|0,1,1]=4 21591 B11R0.70 CCCCC(C)SCC(C)CC 62a_100000748023_200011215066 [0,2,0,0,0,0|0,1,0]=3 21592 B11R0.70 CCCCC(C)SCC(C)CC 62a_200011215066_100000748023 [0,2,0,0,0,0|0,1,0]=3 21593 B11R0.70 CCCCC(C)SCC(O)CC 62a_100011218378_200011215066 [0,2,0,0,0,0|0,1,0]=3 21594 B11R0.70 CCCCC(C)SCC(O)CC 62a_200011215066_100011218378 [0,2,0,0,0,0|0,1,0]=3 21595 B11R0.70 CCCCC(C)SCC(O)CO 62a_100011219619_200011215066 [0,2,0,0,0,0|1,1,0]=4 21596 B11R0.70 CCCCC(C)SCC(O)CO 62a_200011215066_100011219619 [0,2,0,0,0,0|1,1,0]=4 21597 B11R0.70 CCCCC(C)SC[C@@H](C)CC 62a_100009816398_200011215066 [0,2,0,0,0,0|0,1,0]=3 21598 B11R0.70 CCCCC(C)SC[C@@H](C)CC 62a_200011215066_100009816398 [0,2,0,0,0,0|0,1,0]=3 21599 B11R0.70 CCCCC(C)SC[C@@H](C)CO 62a_100000059175_200011215066 [0,2,0,0,0,0|1,1,0]=4 21600 B11R0.70 CCCCC(C)SC[C@@H](C)CO 62a_200011215066_100000059175 [0,2,0,0,0,0|1,1,0]=4 21601 B11R0.70 CCCCC(C)SC[C@@H](O)CF 62a_100015614560_200011215066 [0,2,0,0,0,0|1,1,0]=4 21602 B11R0.70 CCCCC(C)SC[C@@H](O)CF 62a_200011215066_100015614560 [0,2,0,0,0,0|1,1,0]=4 21603 B11R0.70 CCCCC(C)SC[C@@H](O)CO 62a_100009815848_200011215066 [0,2,0,0,0,0|1,1,0]=4 21604 B11R0.70 CCCCC(C)SC[C@@H](O)CO 62a_200011215066_100009815848 [0,2,0,0,0,0|1,1,0]=4 21605 B11R0.70 CCCC[C@H](N)COC(C)CC 34a_100011934283_100011215416 [0,2,0,0,0,0|2,0,0]=4 21606 B11R0.70 CCCNC(=O)CCC(C)CC 11a_100020643023_100000701222 [0,2,0,0,0,0|2,0,0]=4 21607 B11R0.70 CCCNC(=O)CCC(C)CC 1626a_100020643023_100000701222 [0,2,0,0,0,0|2,0,0]=4 21608 B11R0.70 CCCNC(=O)CCC(C)CC 240690a_100020643023_100000701222 [0,2,0,0,0,0|2,0,0]=4 21609 B11R0.70 CCCNC(=O)CCC(C)CC 527a_100020643023_100000701222 [0,2,0,0,0,0|2,0,0]=4 21610 B11R0.70 CCCNC(=O)CCC(O)CC 1626a_100020643023_203496584001 [0,2,0,0,0,0|2,0,0]=4 21611 B11R0.70 CCCNC(=O)CCC(O)CC 240690a_100020643023_203496584001 [0,2,0,0,0,0|2,0,0]=4 21612 B11R0.70 CCCOC(C)CCC(C)CC 7a_200011216552_100000210303 [0,2,0,0,0,0|2,0,0]=4 21613 B11R0.70 CCOCC(C)OCC(=O)CC 7a_100000718985_100000747405 [0,2,0,0,0,0|1,0,1]=4 21614 B11R0.70 CCOCC(C)OCC(C)CC 34a_100000718985_100000748023 [0,2,0,0,0,0|1,0,0]=3 21615 B11R0.70 CCOCC(C)OCC(C)CC 7a_100000718985_100000748023 [0,2,0,0,0,0|1,0,0]=3 21616 B11R0.70 CCOCC(C)OCC(O)CC 34a_100000718985_100011218378 [0,2,0,0,0,0|1,0,0]=3 21617 B11R0.70 CCOCC(C)OCC(O)CC 7a_100000718985_100011218378 [0,2,0,0,0,0|1,0,0]=3 21618 B11R0.70 CCOCC(C)OCC(O)CO 34a_100000718985_100011219619 [0,2,0,0,0,0|2,0,0]=4 21619 B11R0.70 CCOCC(C)OCC(O)CO 7a_100000718985_100011219619 [0,2,0,0,0,0|2,0,0]=4 21620 B11R0.70 CCOCC(C)OC[C@@H](C)CC 34a_100000718985_100009816398 [0,2,0,0,0,0|1,0,0]=3 21621 B11R0.70 CCOCC(C)OC[C@@H](C)CC 7a_100000718985_100009816398 [0,2,0,0,0,0|1,0,0]=3 21622 B11R0.70 CCOCC(C)OC[C@@H](C)CO 34a_100000718985_100000059175 [0,2,0,0,0,0|2,0,0]=4 21623 B11R0.70 CCOCC(C)OC[C@@H](C)CO 7a_100000718985_100000059175 [0,2,0,0,0,0|2,0,0]=4 21624 B11R0.70 CCOCC(C)OC[C@@H](O)CF 34a_100000718985_100015614560 [0,2,0,0,0,0|2,0,0]=4 21625 B11R0.70 CCOCC(C)OC[C@@H](O)CF 7a_100000718985_100015614560 [0,2,0,0,0,0|2,0,0]=4 21626 B11R0.70 CCOCC(C)OC[C@@H](O)CO 34a_100000718985_100009815848 [0,2,0,0,0,0|2,0,0]=4 21627 B11R0.70 CCOCC(C)OC[C@@H](O)CO 7a_100000718985_100009815848 [0,2,0,0,0,0|2,0,0]=4 21628 B11R0.70 CCSCC(C)NCC(C)CC 270004a_100020588543_200011216171 [0,2,0,0,0,0|2,0,0]=4 21629 B11R0.70 CCSCC(C)NCC(O)CC 270004a_100011218483_200011216171 [0,2,0,0,0,0|2,0,0]=4 21630 B11R0.70 CC[C@H](C)COC(C)CCCCl 34a_200000718107_100009816398 [0,2,0,0,0,0|1,0,0]=3 21631 B11R0.70 CC[C@H](C)COC(C)CCCCl 7a_200000718107_100009816398 [0,2,0,0,0,0|1,0,0]=3 21632 B11R0.106 C=CC(O)COCCC(C)CC 7a_100011215188_100000730141 [0,2,0,0,0,0|0,0,2]=4 21633 B11R0.106 CCC(=O)COCCC(C)CC 7a_100011215188_100000747405 [0,2,0,0,0,0|0,0,1]=3 21634 B11R0.106 CCC(=O)COCCC(C)OC 7a_100000764861_100000747405 [0,2,0,0,0,0|1,0,1]=4 21635 B11R0.106 CCC(C)CCCOC(C)CC 7a_100011216074_100000758301 [0,2,0,0,0,0|2,0,0]=4 21636 B11R0.106 CCC(C)CCNCC(C)CC 2230a_100020591266_100000748023 [0,2,0,0,0,0|1,0,0]=3 21637 B11R0.106 CCC(C)CCNCC(C)CC 270004a_100020591266_100000243153 [0,2,0,0,0,0|1,0,0]=3 21638 B11R0.106 CCC(C)CCNCC(O)CC 2230a_100020591266_100011218378 [0,2,0,0,0,0|1,0,0]=3 21639 B11R0.106 CCC(C)CCNCC(O)CO 2230a_100020591266_100011219619 [0,2,0,0,0,0|2,0,0]=4 21640 B11R0.106 CCC(C)CCNC[C@@H](C)CC 2230a_100020591266_100009816398 [0,2,0,0,0,0|1,0,0]=3 21641 B11R0.106 CCC(C)CCNC[C@@H](C)CO 2230a_100020591266_100000059175 [0,2,0,0,0,0|2,0,0]=4 21642 B11R0.106 CCC(C)CCNC[C@@H](O)CF 2230a_100020591266_100015614560 [0,2,0,0,0,0|2,0,0]=4 21643 B11R0.106 CCC(C)CCNC[C@@H](O)CO 2230a_100020591266_100009815848 [0,2,0,0,0,0|2,0,0]=4 21644 B11R0.106 CCC(C)CCOCC(=O)NC 7a_100011215188_100000183359 [0,2,0,0,0,0|1,0,1]=4 21645 B11R0.106 CCC(C)CCOCC(=O)OC 7a_100011215188_100000747449 [0,2,0,0,0,0|1,0,1]=4 21646 B11R0.106 CCC(C)CCOCC(C)CC 7a_100011215188_100000748023 [0,2,0,0,0,0|0,0,0]=2 21647 B11R0.106 CCC(C)CCOCC(O)CC 7a_100011215188_100011218378 [0,2,0,0,0,0|0,0,0]=2 21648 B11R0.106 CCC(C)CCOCC(O)CO 7a_100011215188_100011219619 [0,2,0,0,0,0|1,0,0]=3 21649 B11R0.106 CCC(C)CCOC[C@@H](C)CC 7a_100011215188_100009816398 [0,2,0,0,0,0|0,0,0]=2 21650 B11R0.106 CCC(C)CCOC[C@@H](C)CO 7a_100011215188_100000059175 [0,2,0,0,0,0|1,0,0]=3 21651 B11R0.106 CCC(C)CCOC[C@@H](O)CF 7a_100011215188_100015614560 [0,2,0,0,0,0|1,0,0]=3 21652 B11R0.106 CCC(C)CCOC[C@@H](O)CO 7a_100011215188_100009815848 [0,2,0,0,0,0|1,0,0]=3 21653 B11R0.106 CCC(C)CNCCC(C)CO 2230a_106354213184_100000748023 [0,2,0,0,0,0|2,0,0]=4 21654 B11R0.106 CCC(C)CNCCC(C)CO 270004a_106354213184_100000243153 [0,2,0,0,0,0|2,0,0]=4 21655 B11R0.106 CCC(C)CNCCC(C)CO 34a_106354213184_100000748023 [0,2,0,0,0,0|2,0,0]=4 21656 B11R0.106 CCC(C)COCCC(=O)NC 34a_100000754576_100000748023 [0,2,0,0,0,0|1,0,1]=4 21657 B11R0.106 CCC(C)COCCC(C)OC 7a_100000764861_100000748023 [0,2,0,0,0,0|1,0,0]=3 21658 B11R0.106 CCC(O)CNCCC(C)CO 2230a_106354213184_100011218378 [0,2,0,0,0,0|2,0,0]=4 21659 B11R0.106 CCC(O)CNCCC(C)CO 34a_106354213184_100011218378 [0,2,0,0,0,0|2,0,0]=4 21660 B11R0.106 CCC(O)COCCC(=O)NC 34a_100000754576_100011218378 [0,2,0,0,0,0|1,0,1]=4 21661 B11R0.106 CCC(O)COCCC(C)OC 7a_100000764861_100011218378 [0,2,0,0,0,0|1,0,0]=3 21662 B11R0.106 CC[C@H](C)CNCCC(C)CO 2230a_106354213184_100009816398 [0,2,0,0,0,0|2,0,0]=4 21663 B11R0.106 CC[C@H](C)CNCCC(C)CO 34a_106354213184_100009816398 [0,2,0,0,0,0|2,0,0]=4 21664 B11R0.106 CC[C@H](C)COCCC(=O)NC 34a_100000754576_100009816398 [0,2,0,0,0,0|1,0,1]=4 21665 B11R0.106 CC[C@H](C)COCCC(=O)NC 7a_100009816381_100000737683 [0,2,0,0,0,0|1,0,1]=4 21666 B11R0.106 CC[C@H](C)COCCC(=O)OC 7a_100009816381_100000204255 [0,2,0,0,0,0|1,0,1]=4 21667 B11R0.106 CC[C@H](C)COCCC(C)OC 7a_100000764861_100009816398 [0,2,0,0,0,0|1,0,0]=3 21668 B11R0.106 COC(C)CCOCC(O)CO 7a_100000764861_100011219619 [0,2,0,0,0,0|2,0,0]=4 21669 B11R0.106 COC(C)CCOC[C@@H](C)CO 7a_100000764861_100000059175 [0,2,0,0,0,0|2,0,0]=4 21670 B11R0.106 COC(C)CCOC[C@@H](O)CF 7a_100000764861_100015614560 [0,2,0,0,0,0|2,0,0]=4 21671 B11R0.106 COC(C)CCOC[C@@H](O)CO 7a_100000764861_100009815848 [0,2,0,0,0,0|2,0,0]=4 21672 B11R0.124 C#CC(CC)OCCCCCC 34a_100000758843_100000210314 [0,2,0,0,0,0|2,0,0]=4 21673 B11R0.124 C#CC(CC)OCCCCCC 7a_100000758843_100000210314 [0,2,0,0,0,0|2,0,0]=4 21674 B11R0.124 C#CC(CC)OCOCCCC 34a_100000758843_100011995733 [0,2,0,0,0,0|1,0,0]=3 21675 B11R0.124 C#CCCCOCC(CC)CC 34a_100000215630_100011215472 [0,2,0,0,0,0|0,0,2]=4 21676 B11R0.124 C#CCCCOCC(CC)CC 7a_100000215630_100011215472 [0,2,0,0,0,0|0,0,2]=4 21677 B11R0.124 C#CCCCOCC(CC)CC 7a_100000703878_100011215417 [0,2,0,0,0,0|0,0,2]=4 21678 B11R0.124 C#CCCCOCC(CC)OC 34a_100011934954_100000695029 [0,2,0,0,0,0|0,0,2]=4 21679 B11R0.124 C#CCCCOCC(CC)OC 7a_100011934954_100011215417 [0,2,0,0,0,0|0,0,2]=4 21680 B11R0.124 C/C=C/CCOCC(CC)CC 34a_100016278192_100011215472 [0,2,0,0,0,0|0,0,2]=4 21681 B11R0.124 C=CC(CC)OCCCCCC 34a_100000766422_100000210314 [0,2,0,0,0,0|2,0,0]=4 21682 B11R0.124 C=CC(CC)OCCCCCC 7a_100000766422_100000210314 [0,2,0,0,0,0|2,0,0]=4 21683 B11R0.124 C=CC(CC)OCOCCCC 34a_100000766422_100011995733 [0,2,0,0,0,0|1,0,0]=3 21684 B11R0.124 C=CC(CCCCCCC)OC 34a_200011934235_200000210301 [0,2,0,0,0,0|2,0,0]=4 21685 B11R0.124 C=CC(CCCCCCC)OC 7a_200011934235_200000210301 [0,2,0,0,0,0|2,0,0]=4 21686 B11R0.124 C=CC(CCCCCCC)O[13CH3] 34a_200011934235_200025704644 [0,2,0,0,0,0|2,0,0]=4 21687 B11R0.124 C=CC(CCCCCCC)O[13CH3] 7a_200011934235_200025704644 [0,2,0,0,0,0|2,0,0]=4 21688 B11R0.124 C=CCCCOCC(CC)CC 34a_100000758997_100011215472 [0,2,0,0,0,0|0,0,2]=4 21689 B11R0.124 C=CCCCOCC(CC)CC 7a_100000703878_100000757094 [0,2,0,0,0,0|0,0,2]=4 21690 B11R0.124 C=CCCCOCC(CC)CC 7a_100000758997_100011215472 [0,2,0,0,0,0|0,0,2]=4 21691 B11R0.124 C=CCCCOCC(CC)OC 34a_100011934954_100000757094 [0,2,0,0,0,0|0,0,2]=4 21692 B11R0.124 C=CCCCOCC(CC)OC 7a_100011934954_100000757094 [0,2,0,0,0,0|0,0,2]=4 21693 B11R0.124 C=C[C@@H](CO)NCOCCCC 2230a_100016989147_100011995733 [0,2,0,0,0,0|2,0,0]=4 21694 B11R0.124 C=C[C@@H](CO)NCOCCCC 34a_100016989147_100011995733 [0,2,0,0,0,0|2,0,0]=4 21695 B11R0.124 CC#CCCOCC(CC)CC 34a_100000750427_100011215472 [0,2,0,0,0,0|0,0,2]=4 21696 B11R0.124 CC/C=C\COCC(CC)CC 34a_100016268518_100011215472 [0,2,0,0,0,0|0,0,2]=4 21697 B11R0.124 CC/C=C\COCC(CC)CC 7a_100000703878_100103147603 [0,2,0,0,0,0|0,0,2]=4 21698 B11R0.124 CC/C=C\COCC(CC)OC 34a_100011934954_100103147603 [0,2,0,0,0,0|0,0,2]=4 21699 B11R0.124 CC/C=C\COCC(CC)OC 7a_100011934954_100103147603 [0,2,0,0,0,0|0,0,2]=4 21700 B11R0.124 CCC#CCOCC(CC)CC 34a_100000032950_100011215472 [0,2,0,0,0,0|0,0,2]=4 21701 B11R0.124 CCC#CCOCC(CC)CC 7a_100000703878_100009813939 [0,2,0,0,0,0|0,0,2]=4 21702 B11R0.124 CCC#CCOCC(CC)OC 34a_100011934954_100009813939 [0,2,0,0,0,0|0,0,2]=4 21703 B11R0.124 CCC#CCOCC(CC)OC 7a_100011934954_100009813939 [0,2,0,0,0,0|0,0,2]=4 21704 B11R0.124 CCC(CC)CNCCCCF 2230a_100102946423_100000729493 [0,2,0,0,0,0|2,0,0]=4 21705 B11R0.124 CCC(CC)CNCCCCO 2230a_100000750430_100011215472 [0,2,0,0,0,0|2,0,0]=4 21706 B11R0.124 CCC(CC)CNCCCCO 2230a_100102946423_100000210776 [0,2,0,0,0,0|2,0,0]=4 21707 B11R0.124 CCC(CC)CNCCCCO 269862a_100000750430_100000211137 [0,2,0,0,0,0|2,0,0]=4 21708 B11R0.124 CCC(CC)CNCCCCO 270004a_100000750430_100000211137 [0,2,0,0,0,0|2,0,0]=4 21709 B11R0.124 CCC(CC)CNCCCCO 34a_100000750430_100011215472 [0,2,0,0,0,0|2,0,0]=4 21710 B11R0.124 CCC(CC)CNCCCOC 2230a_100102946423_100000740836 [0,2,0,0,0,0|2,0,0]=4 21711 B11R0.124 CCC(CC)CNCCCOC 269862a_100150723488_100000211137 [0,2,0,0,0,0|2,0,0]=4 21712 B11R0.124 CCC(CC)CNCCCOC 270004a_100150723488_100000211137 [0,2,0,0,0,0|2,0,0]=4 21713 B11R0.124 CCC(CC)CNCCCOC 34a_100150723488_100011215472 [0,2,0,0,0,0|2,0,0]=4 21714 B11R0.124 CCC(CC)CNCCCSC 2230a_100000749238_100011215472 [0,2,0,0,0,0|2,0,0]=4 21715 B11R0.124 CCC(CC)CNCCCSC 269862a_100000749238_100000211137 [0,2,0,0,0,0|2,0,0]=4 21716 B11R0.124 CCC(CC)CNCCCSC 270004a_100000749238_100000211137 [0,2,0,0,0,0|2,0,0]=4 21717 B11R0.124 CCC(CC)COCCCC#N 7a_100000703878_100000687738 [0,2,0,0,0,0|1,0,1]=4 21718 B11R0.124 CCC(CC)COCCCC=O 7a_100000703878_200011292268 [0,2,0,0,0,0|1,0,1]=4 21719 B11R0.124 CCC(CC)COCCCCBr 34a_100011216708_100011215472 [0,2,0,0,0,0|1,0,0]=3 21720 B11R0.124 CCC(CC)COCCCCCl 34a_100000210776_100011215472 [0,2,0,0,0,0|1,0,0]=3 21721 B11R0.124 CCC(CC)COCCCCCl 7a_100000210776_100011215472 [0,2,0,0,0,0|1,0,0]=3 21722 B11R0.124 CCC(CC)COCCCCF 34a_100011995726_100011215472 [0,2,0,0,0,0|1,0,0]=3 21723 B11R0.124 CCC(CC)COCCCCF 7a_100000703878_100000729493 [0,2,0,0,0,0|1,0,0]=3 21724 B11R0.124 CCC(CC)COCCCCF 7a_100011995726_100011215472 [0,2,0,0,0,0|1,0,0]=3 21725 B11R0.124 CCC(CC)COCCCCI 34a_200012148704_100011215472 [0,2,0,0,0,0|1,0,0]=3 21726 B11R0.124 CCC(CC)COCCCCN 34a_100000750430_100011215472 [0,2,0,0,0,0|1,0,0]=3 21727 B11R0.124 CCC(CC)COCCCCO 7a_100000703878_100000210776 [0,2,0,0,0,0|1,0,0]=3 21728 B11R0.124 CCC(CC)COCCCNC 34a_100000213112_100011215472 [0,2,0,0,0,0|1,0,0]=3 21729 B11R0.124 CCC(CC)COCCCOC 34a_100000740835_100011215472 [0,2,0,0,0,0|1,0,0]=3 21730 B11R0.124 CCC(CC)COCCCOC 7a_100000703878_100000740836 [0,2,0,0,0,0|1,0,0]=3 21731 B11R0.124 CCC(CC)COCCCSC 34a_100000690336_100011215472 [0,2,0,0,0,0|1,0,0]=3 21732 B11R0.124 CCC(CC)COCCCSC 7a_100000690336_100011215472 [0,2,0,0,0,0|1,0,0]=3 21733 B11R0.124 CCC(CC)CSCCCCF 62a_100000729493_100011215472 [0,2,0,0,0,0|1,1,0]=4 21734 B11R0.124 CCC(CC)CSCCCCF 62a_100011215472_100000729493 [0,2,0,0,0,0|1,1,0]=4 21735 B11R0.124 CCC(CC)CSCCCCO 62a_100000210776_100011215472 [0,2,0,0,0,0|1,1,0]=4 21736 B11R0.124 CCC(CC)CSCCCCO 62a_100011215472_100000210776 [0,2,0,0,0,0|1,1,0]=4 21737 B11R0.124 CCC(CC)CSCCCOC 62a_100000709357_100011215472 [0,2,0,0,0,0|1,1,0]=4 21738 B11R0.124 CCC(CC)CSCCCOC 62a_100011215472_100000709357 [0,2,0,0,0,0|1,1,0]=4 21739 B11R0.124 CCC(CC)NCOCCOC 2230a_100000199018_100000231047 [0,2,0,0,0,0|2,0,0]=4 21740 B11R0.124 CCC(CC)SCOCCOC 62a_100000210505_100000231047 [0,2,0,0,0,0|2,0,0]=4 21741 B11R0.124 CCC(CC)SCOCCOC 62a_100000231047_100000210505 [0,2,0,0,0,0|2,0,0]=4 21742 B11R0.124 CCC(COCCCC#N)OC 7a_100011934954_100000687738 [0,2,0,0,0,0|1,0,1]=4 21743 B11R0.124 CCC(COCCCC=O)OC 7a_100011934954_200011292268 [0,2,0,0,0,0|1,0,1]=4 21744 B11R0.124 CCC(COCCCCF)OC 34a_100011934954_100000729493 [0,2,0,0,0,0|1,0,0]=3 21745 B11R0.124 CCC(COCCCCF)OC 7a_100011934954_100000729493 [0,2,0,0,0,0|1,0,0]=3 21746 B11R0.124 CCC(COCCCCO)OC 34a_100011934954_100011216708 [0,2,0,0,0,0|1,0,0]=3 21747 B11R0.124 CCC(COCCCCO)OC 7a_100011934954_100000210776 [0,2,0,0,0,0|1,0,0]=3 21748 B11R0.124 CCC(COCCCOC)OC 34a_100011934954_100000740836 [0,2,0,0,0,0|1,0,0]=3 21749 B11R0.124 CCC(COCCCOC)OC 7a_100011934954_100000740836 [0,2,0,0,0,0|1,0,0]=3 21750 B11R0.124 CCCCCCCC(CC)NC 270004a_106832991635_200011217162 [0,2,0,0,0,0|1,0,0]=3 21751 B11R0.124 CCCCCCCC(CC)OC 34a_200011217053_200000210301 [0,2,0,0,0,0|1,0,0]=3 21752 B11R0.124 CCCCCCCC(CC)OC 7a_200011217053_200000210301 [0,2,0,0,0,0|1,0,0]=3 21753 B11R0.124 CCCCCCCC(CC)O[13CH3] 34a_200011217053_200025704644 [0,2,0,0,0,0|1,0,0]=3 21754 B11R0.124 CCCCCCCC(CC)O[13CH3] 7a_200011217053_200025704644 [0,2,0,0,0,0|1,0,0]=3 21755 B11R0.124 CCCCCCCN(CC)CC 2230a_100000228213_100000210202 [0,2,0,0,0,0|2,0,0]=4 21756 B11R0.124 CCCCCCCN(CC)CC 2230a_100000724800_100000210681 [0,2,0,0,0,0|2,0,0]=4 21757 B11R0.124 CCCCCCCN(CC)CC 269956a_100000042499_100000210614 [0,2,0,0,0,0|2,0,0]=4 21758 B11R0.124 CCCCCCCN(CC)CC 269982a_100000228213_100000204670 [0,2,0,0,0,0|2,0,0]=4 21759 B11R0.124 CCCCCCCN(CC)CC 269982a_100000724800_100000210681 [0,2,0,0,0,0|2,0,0]=4 21760 B11R0.124 CCCCCCCN(CC)CF 269982a_100000228213_100015361967 [0,2,0,0,0,0|2,0,0]=4 21761 B11R0.124 CCCCCCNC(CC)CC 2230a_100000199018_100000210314 [0,2,0,0,0,0|2,0,0]=4 21762 B11R0.124 CCCCCCNC(CC)CC 270004a_100000210581_100000210860 [0,2,0,0,0,0|2,0,0]=4 21763 B11R0.124 CCCCCCN[C@@H](CC)CO 2230a_100000709445_100000210314 [0,2,0,0,0,0|2,0,0]=4 21764 B11R0.124 CCCCCCOC(CC)CC 7a_100000210259_100000210505 [0,2,0,0,0,0|2,0,0]=4 21765 B11R0.124 CCCCCCOC(CC)CC 7a_100000688536_100000210314 [0,2,0,0,0,0|2,0,0]=4 21766 B11R0.124 CCCCCCSC(CC)CC 62a_100000210314_100000210505 [0,2,0,0,0,0|2,0,0]=4 21767 B11R0.124 CCCCCCSC(CC)CC 62a_100000210505_100000210757 [0,2,0,0,0,0|2,0,0]=4 21768 B11R0.124 CCCCCNCC(CC)CC 2230a_100000209983_100011215472 [0,2,0,0,0,0|1,0,0]=3 21769 B11R0.124 CCCCCNCC(CC)CC 2230a_100102946423_100000210326 [0,2,0,0,0,0|1,0,0]=3 21770 B11R0.124 CCCCCNCC(CC)CC 269862a_100000209983_100000211137 [0,2,0,0,0,0|1,0,0]=3 21771 B11R0.124 CCCCCNCC(CC)CC 270004a_100000209983_100000211137 [0,2,0,0,0,0|1,0,0]=3 21772 B11R0.124 CCCCCNCC(OC)OC 2230a_100000209983_100000751394 [0,2,0,0,0,0|2,0,0]=4 21773 B11R0.124 CCCCCNCC(OC)OC 270004a_100000209983_100000752162 [0,2,0,0,0,0|2,0,0]=4 21774 B11R0.124 CCCCCOCC(CC)CC 34a_100000210253_100011215472 [0,2,0,0,0,0|0,0,0]=2 21775 B11R0.124 CCCCCOCC(CC)CC 7a_100000210253_100011215472 [0,2,0,0,0,0|0,0,0]=2 21776 B11R0.124 CCCCCOCC(CC)CC 7a_100000703878_100000210326 [0,2,0,0,0,0|0,0,0]=2 21777 B11R0.124 CCCCCOCC(CC)OC 34a_100011934954_100000718602 [0,2,0,0,0,0|0,0,0]=2 21778 B11R0.124 CCCCCOCC(CC)OC 7a_100011934954_100000210326 [0,2,0,0,0,0|0,0,0]=2 21779 B11R0.124 CCCCCOCC(OC)OC 34a_100000210253_100000211822 [0,2,0,0,0,0|1,0,0]=3 21780 B11R0.124 CCCCCOCC(OC)OC 34a_100011216393_100000718602 [0,2,0,0,0,0|1,0,0]=3 21781 B11R0.124 CCCCCOCC(OC)OC 7a_100000210253_100000751394 [0,2,0,0,0,0|1,0,0]=3 21782 B11R0.124 CCCCCOCN(CC)CC 7a_200015374951_100000210326 [0,2,0,0,0,0|1,0,0]=3 21783 B11R0.124 CCCCCSCC(CC)CC 62a_100000210326_100011215472 [0,2,0,0,0,0|0,1,0]=3 21784 B11R0.124 CCCCCSCC(CC)CC 62a_100011215472_100000210326 [0,2,0,0,0,0|0,1,0]=3 21785 B11R0.124 CCCCCSCC(OC)OC 62a_100000210326_100000751394 [0,2,0,0,0,0|1,1,0]=4 21786 B11R0.124 CCCCCSCC(OC)OC 62a_100000751394_100000210326 [0,2,0,0,0,0|1,1,0]=4 21787 B11R0.124 CCCCNCCC(OC)OC 2230a_100000102301_100009813347 [0,2,0,0,0,0|2,0,0]=4 21788 B11R0.124 CCCCNCCC(OC)OC 7a_106832991798_100009813347 [0,2,0,0,0,0|2,0,0]=4 21789 B11R0.124 CCCCNCCN(CC)CC 2230a_100000102301_100000700428 [0,2,0,0,0,0|2,0,0]=4 21790 B11R0.124 CCCCNCCN(CC)CC 2230a_100015382049_100000210211 [0,2,0,0,0,0|2,0,0]=4 21791 B11R0.124 CCCCNCCN(CC)CC 7a_106832991798_100000700428 [0,2,0,0,0,0|2,0,0]=4 21792 B11R0.124 CCCCOCCC(OC)OC 34a_100000210227_100000139399 [0,2,0,0,0,0|1,0,0]=3 21793 B11R0.124 CCCCOCCC(OC)OC 7a_100000210227_100009813347 [0,2,0,0,0,0|1,0,0]=3 21794 B11R0.124 CCCCOCCN(CC)CC 2230a_100000724800_100000743108 [0,2,0,0,0,0|1,0,0]=3 21795 B11R0.124 CCCCOCCN(CC)CC 269956a_100000042499_100000743108 [0,2,0,0,0,0|1,0,0]=3 21796 B11R0.124 CCCCOCCN(CC)CC 269982a_100000724800_100000743108 [0,2,0,0,0,0|1,0,0]=3 21797 B11R0.124 CCCCOCCN(CC)CC 7a_100000210227_100000700428 [0,2,0,0,0,0|1,0,0]=3 21798 B11R0.124 CCCCOCCN(CC)CC 7a_100016990331_100000210211 [0,2,0,0,0,0|1,0,0]=3 21799 B11R0.124 CCCCOCNC(CC)CC 2230a_100000199018_100011995733 [0,2,0,0,0,0|1,0,0]=3 21800 B11R0.124 CCCCOCNC(CO)CO 2230a_100000759517_100011995733 [0,2,0,0,0,0|2,0,0]=4 21801 B11R0.124 CCCCOCN[C@@H](CC)CO 2230a_100000709445_100011995733 [0,2,0,0,0,0|1,0,0]=3 21802 B11R0.124 CCCCOCOC(CF)CF 34a_100000032261_100011995733 [0,2,0,0,0,0|2,0,0]=4 21803 B11R0.124 CCCCOCOC(CN)CN 34a_100000031598_100011995733 [0,2,0,0,0,0|2,0,0]=4 21804 B11R0.124 CCCCOCO[C@@H](CF)CCl 34a_100015614560_100011995733 [0,2,0,0,0,0|2,0,0]=4 21805 B11R0.124 CCCCOCSC(CC)CC 62a_100000210505_100011995733 [0,2,0,0,0,0|1,0,0]=3 21806 B11R0.124 CCCCOCSC(CC)CC 62a_100011995733_100000210505 [0,2,0,0,0,0|1,0,0]=3 21807 B11R0.124 CCCCSCCC(OC)OC 62a_100000139399_100000210210 [0,2,0,0,0,0|1,1,0]=4 21808 B11R0.124 CCCCSCCC(OC)OC 62a_100000210211_100000139399 [0,2,0,0,0,0|1,1,0]=4 21809 B11R0.124 CCCCSCCN(CC)CC 62a_100000210211_100000700428 [0,2,0,0,0,0|1,1,0]=4 21810 B11R0.124 CCN(CC)CCOCCCF 7a_100016990331_100011934791 [0,2,0,0,0,0|2,0,0]=4 21811 B11R0.124 CCN(CC)CCOCCCO 7a_100016990331_100011215043 [0,2,0,0,0,0|2,0,0]=4 21812 B11R0.124 CCN(CC)CCOCCOC 2230a_100000724800_100000695917 [0,2,0,0,0,0|2,0,0]=4 21813 B11R0.124 CCN(CC)CCOCCOC 269956a_100000042499_100000695917 [0,2,0,0,0,0|2,0,0]=4 21814 B11R0.124 CCN(CC)CCOCCOC 269982a_100000724800_100000695917 [0,2,0,0,0,0|2,0,0]=4 21815 B11R0.124 CCN(CC)CCOCCOC 7a_100011217740_200000210301 [0,2,0,0,0,0|2,0,0]=4 21816 B11R0.124 CCN(CC)CCOCCOC 7a_100016990331_100000233755 [0,2,0,0,0,0|2,0,0]=4 21817 B11R0.124 CCN(CC)CCOCCO[13CH3] 7a_100011217740_200025704644 [0,2,0,0,0,0|2,0,0]=4 21818 B11R0.124 CCN(CC)CCOCCSC 7a_100000230434_100000700428 [0,2,0,0,0,0|2,0,0]=4 21819 B11R0.124 CCN(CC)CCOCCSC 7a_100016990331_100000212216 [0,2,0,0,0,0|2,0,0]=4 21820 B11R0.124 CCN(CC)COCCCCF 7a_200015374951_100000729493 [0,2,0,0,0,0|2,0,0]=4 21821 B11R0.124 CCN(CC)COCCCCO 7a_200015374951_100000210776 [0,2,0,0,0,0|2,0,0]=4 21822 B11R0.124 CCN(CC)COCCCOC 7a_200015374951_100000740836 [0,2,0,0,0,0|2,0,0]=4 21823 B11R0.124 CCOCCNCC(CC)CC 2230a_100102946423_100011215890 [0,2,0,0,0,0|2,0,0]=4 21824 B11R0.124 CCOCCNCC(CC)CC 2230a_102516460346_100011215472 [0,2,0,0,0,0|2,0,0]=4 21825 B11R0.124 CCOCCNCC(CC)CC 269862a_100011200944_100000211137 [0,2,0,0,0,0|2,0,0]=4 21826 B11R0.124 CCOCCNCC(CC)CC 270004a_102516460346_100000211137 [0,2,0,0,0,0|2,0,0]=4 21827 B11R0.124 CCOCCNCC(CC)CC 34a_102516460346_100011215472 [0,2,0,0,0,0|2,0,0]=4 21828 B11R0.124 CCOCCOCC(CC)CC 34a_100000210136_100011215472 [0,2,0,0,0,0|1,0,0]=3 21829 B11R0.124 CCOCCOCC(CC)CC 7a_100000210136_100011215472 [0,2,0,0,0,0|1,0,0]=3 21830 B11R0.124 CCOCCOCC(CC)CC 7a_100000703878_100011215890 [0,2,0,0,0,0|1,0,0]=3 21831 B11R0.124 CCOCCOCC(CC)OC 34a_100011934954_100000210147 [0,2,0,0,0,0|1,0,0]=3 21832 B11R0.124 CCOCCOCC(CC)OC 7a_100011934954_100011215890 [0,2,0,0,0,0|1,0,0]=3 21833 B11R0.124 CCOCCOCC(OC)OC 34a_100000210136_100000211822 [0,2,0,0,0,0|2,0,0]=4 21834 B11R0.124 CCOCCOCC(OC)OC 34a_100011216393_100000210147 [0,2,0,0,0,0|2,0,0]=4 21835 B11R0.124 CCOCCOCC(OC)OC 7a_100000210136_100000751394 [0,2,0,0,0,0|2,0,0]=4 21836 B11R0.124 CCOCCOCN(CC)CC 7a_200015374951_100011215890 [0,2,0,0,0,0|2,0,0]=4 21837 B11R0.124 CCOCCSCC(CC)CC 62a_100000210147_100011215472 [0,2,0,0,0,0|1,1,0]=4 21838 B11R0.124 CCOCCSCC(CC)CC 62a_100011215472_100011215890 [0,2,0,0,0,0|1,1,0]=4 21839 B11R0.124 CCSCCNCC(CC)CC 2230a_100000106463_100011215472 [0,2,0,0,0,0|2,0,0]=4 21840 B11R0.124 CCSCCNCC(CC)CC 2230a_100102946423_100000757381 [0,2,0,0,0,0|2,0,0]=4 21841 B11R0.124 CCSCCNCC(CC)CC 269862a_100000106463_100000211137 [0,2,0,0,0,0|2,0,0]=4 21842 B11R0.124 CCSCCNCC(CC)CC 270004a_100000106463_100000211137 [0,2,0,0,0,0|2,0,0]=4 21843 B11R0.124 CCSCCOCC(CC)CC 34a_100000212035_100011215472 [0,2,0,0,0,0|1,0,0]=3 21844 B11R0.124 CCSCCOCC(CC)CC 7a_100000212035_100011215472 [0,2,0,0,0,0|1,0,0]=3 21845 B11R0.124 CCSCCOCC(CC)CC 7a_100000703878_100000757381 [0,2,0,0,0,0|1,0,0]=3 21846 B11R0.124 CCSCCOCC(CC)OC 34a_100011934954_100000757381 [0,2,0,0,0,0|1,0,0]=3 21847 B11R0.124 CCSCCOCC(CC)OC 7a_100011934954_100000757381 [0,2,0,0,0,0|1,0,0]=3 21848 B11R0.124 CCSCCOCC(OC)OC 34a_100000212035_100000211822 [0,2,0,0,0,0|2,0,0]=4 21849 B11R0.124 CCSCCOCC(OC)OC 34a_100011216393_100000757381 [0,2,0,0,0,0|2,0,0]=4 21850 B11R0.124 CCSCCOCC(OC)OC 7a_100000212035_100000751394 [0,2,0,0,0,0|2,0,0]=4 21851 B11R0.124 CCSCCOCN(CC)CC 7a_200015374951_100000757381 [0,2,0,0,0,0|2,0,0]=4 21852 B11R0.124 CCSCCSCC(CC)CC 62a_100000757381_100011215472 [0,2,0,0,0,0|1,1,0]=4 21853 B11R0.124 CCSCCSCC(CC)CC 62a_100011215472_100000757381 [0,2,0,0,0,0|1,1,0]=4 21854 B11R0.124 CC[C@@H](CO)NCOCCOC 2230a_100000709445_100000231047 [0,2,0,0,0,0|2,0,0]=4 21855 B11R0.124 CNCCCOCC(OC)OC 34a_100000213112_100000211822 [0,2,0,0,0,0|2,0,0]=4 21856 B11R0.124 COC(CCOCCCBr)OC 34a_100011217188_100000139399 [0,2,0,0,0,0|2,0,0]=4 21857 B11R0.124 COC(CCOCCCCl)OC 34a_100000230001_100000139399 [0,2,0,0,0,0|2,0,0]=4 21858 B11R0.124 COC(CCOCCCF)OC 34a_100000759539_100000139399 [0,2,0,0,0,0|2,0,0]=4 21859 B11R0.124 COC(CCOCCCN)OC 34a_100000182051_100000139399 [0,2,0,0,0,0|2,0,0]=4 21860 B11R0.124 COC(CCOCCSC)OC 34a_100000230434_100000139399 [0,2,0,0,0,0|2,0,0]=4 21861 B11R0.124 COC(CCOCCSC)OC 7a_100000230434_100009813347 [0,2,0,0,0,0|2,0,0]=4 21862 B11R0.124 COC(COCCCCBr)OC 34a_100011216708_100000211822 [0,2,0,0,0,0|2,0,0]=4 21863 B11R0.124 COC(COCCCCCl)OC 34a_100000210776_100000211822 [0,2,0,0,0,0|2,0,0]=4 21864 B11R0.124 COC(COCCCCCl)OC 7a_100000210776_100000751394 [0,2,0,0,0,0|2,0,0]=4 21865 B11R0.124 COC(COCCCCF)OC 34a_100011216393_100000729493 [0,2,0,0,0,0|2,0,0]=4 21866 B11R0.124 COC(COCCCCF)OC 34a_100011995726_100000211822 [0,2,0,0,0,0|2,0,0]=4 21867 B11R0.124 COC(COCCCCF)OC 7a_100011995726_100000751394 [0,2,0,0,0,0|2,0,0]=4 21868 B11R0.124 COC(COCCCCI)OC 34a_200012148704_100000211822 [0,2,0,0,0,0|2,0,0]=4 21869 B11R0.124 COC(COCCCCN)OC 34a_100000750430_100000211822 [0,2,0,0,0,0|2,0,0]=4 21870 B11R0.124 COC(COCCCCO)OC 34a_100011216393_100011216708 [0,2,0,0,0,0|2,0,0]=4 21871 B11R0.124 COC(COCCCSC)OC 34a_100000690336_100000211822 [0,2,0,0,0,0|2,0,0]=4 21872 B11R0.124 COC(COCCCSC)OC 7a_100000690336_100000751394 [0,2,0,0,0,0|2,0,0]=4 21873 B11R0.124 COCCCOCC(OC)OC 34a_100000740835_100000211822 [0,2,0,0,0,0|2,0,0]=4 21874 B11R0.124 COCCCOCC(OC)OC 34a_100011216393_100000740836 [0,2,0,0,0,0|2,0,0]=4 21875 B11R0.124 COCCOCCC(OC)OC 34a_100000210237_100000139399 [0,2,0,0,0,0|2,0,0]=4 21876 B11R0.154 CCC(C)CC(=O)CCCCF 1458a_100000708755_100000729493 [0,2,0,0,0,0|2,0,0]=4 21877 B11R0.154 CCC(C)CC(=O)CCCCO 1458a_100000695505_100000748023 [0,2,0,0,0,0|2,0,0]=4 21878 B11R0.154 CCC(C)CC(=O)CCCCO 1458a_100000708755_100000210776 [0,2,0,0,0,0|2,0,0]=4 21879 B11R0.154 CCC(C)CC(=O)CCCOC 1458a_100000708755_100000740836 [0,2,0,0,0,0|2,0,0]=4 21880 B11R0.154 CCC(C)CC(=O)CCCOC 1458a_100000741012_100000748023 [0,2,0,0,0,0|2,0,0]=4 21881 B11R0.154 CCC(C)CC(=O)CCCSC 1458a_100000173376_100000748023 [0,2,0,0,0,0|2,0,0]=4 21882 B11R0.154 CCC(C)CC(C)NCCCF 2230a_100000763565_100011934791 [0,2,0,0,0,0|2,0,0]=4 21883 B11R0.154 CCC(C)CC(C)NCCCF 270004a_100015189416_100011710205 [0,2,0,0,0,0|2,0,0]=4 21884 B11R0.154 CCC(C)CC(C)NCCCO 2230a_100000763565_100000230001 [0,2,0,0,0,0|2,0,0]=4 21885 B11R0.154 CCC(C)CC(C)NCCCO 270004a_100000182051_100011710205 [0,2,0,0,0,0|2,0,0]=4 21886 B11R0.154 CCC(C)CC(C)NCCOC 2230a_100000763565_100011201679 [0,2,0,0,0,0|2,0,0]=4 21887 B11R0.154 CCC(C)CC(C)NCCOC 270004a_100000209980_100011710205 [0,2,0,0,0,0|2,0,0]=4 21888 B11R0.154 CCC(C)CC(C)NCCSC 2230a_100000763565_100000751147 [0,2,0,0,0,0|2,0,0]=4 21889 B11R0.154 CCC(C)CC(C)NCCSC 270004a_100020590264_100011710205 [0,2,0,0,0,0|2,0,0]=4 21890 B11R0.154 CCC(C)CN(C)CCCCF 2230a_100000753921_100000729493 [0,2,0,0,0,0|2,0,0]=4 21891 B11R0.154 CCC(C)CN(C)CCCCF 269982a_100000753921_100000729493 [0,2,0,0,0,0|2,0,0]=4 21892 B11R0.154 CCC(C)CN(C)CCCCO 2230a_100000717598_100000748023 [0,2,0,0,0,0|2,0,0]=4 21893 B11R0.154 CCC(C)CN(C)CCCCO 2230a_100000753921_100000210776 [0,2,0,0,0,0|2,0,0]=4 21894 B11R0.154 CCC(C)CN(C)CCCCO 269982a_100000717598_100000748023 [0,2,0,0,0,0|2,0,0]=4 21895 B11R0.154 CCC(C)CN(C)CCCCO 269982a_100000753921_100000210776 [0,2,0,0,0,0|2,0,0]=4 21896 B11R0.154 CCC(C)CN(C)CCCCO 270004a_100000717598_100000243153 [0,2,0,0,0,0|2,0,0]=4 21897 B11R0.154 CCC(C)CN(C)CCCOC 2230a_100000224831_100000748023 [0,2,0,0,0,0|2,0,0]=4 21898 B11R0.154 CCC(C)CN(C)CCCOC 2230a_100000753921_100000740836 [0,2,0,0,0,0|2,0,0]=4 21899 B11R0.154 CCC(C)CN(C)CCCOC 269982a_100000224831_100000748023 [0,2,0,0,0,0|2,0,0]=4 21900 B11R0.154 CCC(C)CN(C)CCCOC 269982a_100000753921_100000740836 [0,2,0,0,0,0|2,0,0]=4 21901 B11R0.154 CCC(C)CN(C)CCCOC 270004a_100000224831_100000243153 [0,2,0,0,0,0|2,0,0]=4 21902 B11R0.154 CCC(O)CC(=O)CCCCF 1458a_100011667805_100000729493 [0,2,0,0,0,0|2,0,0]=4 21903 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100000695505_100011218378 [0,2,0,0,0,0|2,0,0]=4 21904 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100011667805_100000210776 [0,2,0,0,0,0|2,0,0]=4 21905 B11R0.154 CCC(O)CC(=O)CCCOC 1458a_100000741012_100011218378 [0,2,0,0,0,0|2,0,0]=4 21906 B11R0.154 CCC(O)CC(=O)CCCOC 1458a_100011667805_100000740836 [0,2,0,0,0,0|2,0,0]=4 21907 B11R0.154 CCC(O)CC(=O)CCCSC 1458a_100000173376_100011218378 [0,2,0,0,0,0|2,0,0]=4 21908 B11R0.154 CCC(O)CN(C)CCCCO 2230a_100000717598_100011218378 [0,2,0,0,0,0|2,0,0]=4 21909 B11R0.154 CCC(O)CN(C)CCCCO 269982a_100000717598_100011218378 [0,2,0,0,0,0|2,0,0]=4 21910 B11R0.154 CCC(O)CN(C)CCCOC 2230a_100000224831_100011218378 [0,2,0,0,0,0|2,0,0]=4 21911 B11R0.154 CCC(O)CN(C)CCCOC 269982a_100000224831_100011218378 [0,2,0,0,0,0|2,0,0]=4 21912 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [0,2,0,0,0,0|1,0,1]=4 21913 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [0,2,0,0,0,0|1,0,1]=4 21914 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000212188_100000748023 [0,2,0,0,0,0|1,0,0]=3 21915 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000708755_100000210326 [0,2,0,0,0,0|1,0,0]=3 21916 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100000212188_100011218378 [0,2,0,0,0,0|1,0,0]=3 21917 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100011667805_100000210326 [0,2,0,0,0,0|1,0,0]=3 21918 B11R0.154 CCCCCC(=O)CN(C)CC 1458a_100116209913_100000210326 [0,2,0,0,0,0|2,0,0]=4 21919 B11R0.154 CCCCCC(=O)CN(C)CC 2230a_100000225621_200012276598 [0,2,0,0,0,0|2,0,0]=4 21920 B11R0.154 CCCCCC(=O)CN(C)CC 269982a_100000225621_200012276598 [0,2,0,0,0,0|2,0,0]=4 21921 B11R0.154 CCCCCC(=O)C[C@@H](C)CC 1458a_100000212188_100009816398 [0,2,0,0,0,0|1,0,0]=3 21922 B11R0.154 CCCCCC(=O)C[C@@H](C)CO 1458a_100000212188_100000059175 [0,2,0,0,0,0|2,0,0]=4 21923 B11R0.154 CCCCCC(=O)NC(C)CC 11a_100000209981_100000212188 [0,2,0,0,0,0|2,0,0]=4 21924 B11R0.154 CCCCCC(=O)NC(C)CC 1626a_100000209981_100000212188 [0,2,0,0,0,0|2,0,0]=4 21925 B11R0.154 CCCCCC(=O)NC(C)CC 240690a_100000209981_100000212188 [0,2,0,0,0,0|2,0,0]=4 21926 B11R0.154 CCCCCC(=O)NC(C)CC 527a_100000209981_100000212188 [0,2,0,0,0,0|2,0,0]=4 21927 B11R0.154 CCCCCC(C)NC(C)CC 2230a_100000209981_200011218191 [0,2,0,0,0,0|2,0,0]=4 21928 B11R0.154 CCCCCC(C)NC(C)CC 2230a_100000211957_100000758301 [0,2,0,0,0,0|2,0,0]=4 21929 B11R0.154 CCCCCC(C)NC(C)CC 270004a_100000209981_100000211708 [0,2,0,0,0,0|2,0,0]=4 21930 B11R0.154 CCCCCC(C)OC(C)CC 34a_100011215632_100011215416 [0,2,0,0,0,0|2,0,0]=4 21931 B11R0.154 CCCCCC(C)OC(C)CC 7a_100000210228_200011218191 [0,2,0,0,0,0|2,0,0]=4 21932 B11R0.154 CCCCCC(C)OC(C)CC 7a_100011215632_100000758301 [0,2,0,0,0,0|2,0,0]=4 21933 B11R0.154 CCCCCC(C)SC(C)CC 62a_100000758301_200011218191 [0,2,0,0,0,0|2,0,0]=4 21934 B11R0.154 CCCCCC(C)SC(C)CC 62a_200011218191_100000758301 [0,2,0,0,0,0|2,0,0]=4 21935 B11R0.154 CCCCCN(C)CC(=O)CC 269982a_100000223495_100000747405 [0,2,0,0,0,0|1,0,1]=4 21936 B11R0.154 CCCCCN(C)CC(C)CC 2230a_100000223495_100000748023 [0,2,0,0,0,0|1,0,0]=3 21937 B11R0.154 CCCCCN(C)CC(C)CC 2230a_100000753921_100000210326 [0,2,0,0,0,0|1,0,0]=3 21938 B11R0.154 CCCCCN(C)CC(C)CC 269982a_100000223495_100000748023 [0,2,0,0,0,0|1,0,0]=3 21939 B11R0.154 CCCCCN(C)CC(C)CC 269982a_100000753921_100000210215 [0,2,0,0,0,0|1,0,0]=3 21940 B11R0.154 CCCCCN(C)CC(C)CC 270004a_100000223495_100000243153 [0,2,0,0,0,0|1,0,0]=3 21941 B11R0.154 CCCCCN(C)CC(O)CC 2230a_100000223495_100011218378 [0,2,0,0,0,0|1,0,0]=3 21942 B11R0.154 CCCCCN(C)CC(O)CC 269982a_100000223495_100011218378 [0,2,0,0,0,0|1,0,0]=3 21943 B11R0.154 CCCCCN(C)CC(O)CO 2230a_100000223495_100011219619 [0,2,0,0,0,0|2,0,0]=4 21944 B11R0.154 CCCCCN(C)CC(O)CO 2230a_100011216503_100000210326 [0,2,0,0,0,0|2,0,0]=4 21945 B11R0.154 CCCCCN(C)CC(O)CO 269982a_100011216503_100000210215 [0,2,0,0,0,0|2,0,0]=4 21946 B11R0.154 CCCCCN(C)C[C@@H](C)CC 2230a_100000223495_100009816398 [0,2,0,0,0,0|1,0,0]=3 21947 B11R0.154 CCCCCN(C)C[C@@H](C)CC 269982a_100000223495_100009816398 [0,2,0,0,0,0|1,0,0]=3 21948 B11R0.154 CCCCCN(C)C[C@@H](C)CO 2230a_100000223495_100000059175 [0,2,0,0,0,0|2,0,0]=4 21949 B11R0.154 CCCCCN(C)C[C@@H](C)CO 269982a_100000223495_100000059175 [0,2,0,0,0,0|2,0,0]=4 21950 B11R0.154 CCCCCN(C)C[C@@H](O)CF 2230a_100000223495_100015614560 [0,2,0,0,0,0|2,0,0]=4 21951 B11R0.154 CCCCCN(C)C[C@@H](O)CO 2230a_100000223495_100009815848 [0,2,0,0,0,0|2,0,0]=4 21952 B11R0.154 CCCCNC(=O)CC(C)CC 11a_100000102301_100000708755 [0,2,0,0,0,0|1,0,1]=4 21953 B11R0.154 CCCCNC(=O)CC(C)CC 1626a_100000102301_100000708755 [0,2,0,0,0,0|1,0,1]=4 21954 B11R0.154 CCCCNC(=O)CC(C)CC 240690a_100000102301_100000708755 [0,2,0,0,0,0|1,0,1]=4 21955 B11R0.154 CCCCNC(=O)CC(C)CC 527a_100000102301_100000708755 [0,2,0,0,0,0|1,0,1]=4 21956 B11R0.154 CCCCNC(=O)CC(O)CC 1626a_100000102301_100011667805 [0,2,0,0,0,0|1,0,1]=4 21957 B11R0.154 CCCCNC(=O)CC(O)CC 240690a_100000102301_100011667805 [0,2,0,0,0,0|1,0,1]=4 21958 B11R0.154 CCCCNC(C)CC(C)CC 2230a_100000763565_100000210211 [0,2,0,0,0,0|1,0,0]=3 21959 B11R0.154 CCCCNC(C)CC(C)CC 270004a_100000102301_100011710205 [0,2,0,0,0,0|1,0,0]=3 21960 B11R0.154 CCCCOC(=O)CC(=O)CC 1458a_100000210414_100000211628 [0,2,0,0,0,0|0,0,2]=4 21961 B11R0.154 CCCCOC(=O)CN(C)CC 2230a_100000225621_100000211628 [0,2,0,0,0,0|1,0,1]=4 21962 B11R0.154 CCCCOC(=O)CN(C)CC 269982a_100000225621_100000211628 [0,2,0,0,0,0|1,0,1]=4 21963 B11R0.154 CCCCOC(C)CC(=O)OC 34a_100000210227_100009817358 [0,2,0,0,0,0|1,0,1]=4 21964 B11R0.154 CCCCOC(C)CC(=O)OC 7a_100000210227_100009817358 [0,2,0,0,0,0|1,0,1]=4 21965 B11R0.154 CCCOCC(=O)CC(C)CC 1458a_100000745993_100000748023 [0,2,0,0,0,0|2,0,0]=4 21966 B11R0.154 CCCOCC(=O)CC(O)CC 1458a_100000745993_100011218378 [0,2,0,0,0,0|2,0,0]=4 21967 B11R0.154 CCCOCC(=O)C[C@@H](C)CC 1458a_100000745993_100009816398 [0,2,0,0,0,0|2,0,0]=4 21968 B11R0.154 CCCSCC(=O)CC(C)CC 1458a_100000217233_100000748023 [0,2,0,0,0,0|2,0,0]=4 21969 B11R0.154 CCCSCC(=O)CC(O)CC 1458a_100000217233_100011218378 [0,2,0,0,0,0|2,0,0]=4 21970 B11R0.154 CCCSCC(=O)C[C@@H](C)CC 1458a_100000217233_100009816398 [0,2,0,0,0,0|2,0,0]=4 21971 B11R0.154 CCOCCC(=O)CC(C)CC 1458a_100000708755_100011215890 [0,2,0,0,0,0|2,0,0]=4 21972 B11R0.154 CCOCCC(=O)CC(C)CC 1458a_100000749530_100000748023 [0,2,0,0,0,0|2,0,0]=4 21973 B11R0.154 CCOCCC(=O)CC(O)CC 1458a_100000749530_100011218378 [0,2,0,0,0,0|2,0,0]=4 21974 B11R0.154 CCOCCC(=O)CC(O)CC 1458a_100011667805_100011215890 [0,2,0,0,0,0|2,0,0]=4 21975 B11R0.154 CCOCCC(=O)C[C@@H](C)CC 1458a_100000749530_100009816398 [0,2,0,0,0,0|2,0,0]=4 21976 B11R0.154 CCOCCN(C)CC(C)CC 2230a_100000753921_100011215890 [0,2,0,0,0,0|2,0,0]=4 21977 B11R0.154 CCOCCN(C)CC(C)CC 269982a_100000753921_100011215890 [0,2,0,0,0,0|2,0,0]=4 21978 B11R0.154 CCSCCC(=O)CC(C)CC 1458a_100000230768_100000748023 [0,2,0,0,0,0|2,0,0]=4 21979 B11R0.154 CCSCCC(=O)CC(C)CC 1458a_100000708755_100000757381 [0,2,0,0,0,0|2,0,0]=4 21980 B11R0.154 CCSCCC(=O)CC(O)CC 1458a_100000230768_100011218378 [0,2,0,0,0,0|2,0,0]=4 21981 B11R0.154 CCSCCC(=O)CC(O)CC 1458a_100011667805_100000757381 [0,2,0,0,0,0|2,0,0]=4 21982 B11R0.154 CCSCCC(=O)C[C@@H](C)CC 1458a_100000230768_100009816398 [0,2,0,0,0,0|2,0,0]=4 21983 B11R0.154 CCSCCN(C)CC(C)CC 2230a_100000753921_100000757381 [0,2,0,0,0,0|2,0,0]=4 21984 B11R0.154 CCSCCN(C)CC(C)CC 269982a_100000753921_100000757381 [0,2,0,0,0,0|2,0,0]=4 21985 B11R0.154 CC[C@H](C)CC(=O)CCCCO 1458a_100000695505_100009816398 [0,2,0,0,0,0|2,0,0]=4 21986 B11R0.154 CC[C@H](C)CC(=O)CCCOC 1458a_100000741012_100009816398 [0,2,0,0,0,0|2,0,0]=4 21987 B11R0.154 CC[C@H](C)CC(=O)CCCSC 1458a_100000173376_100009816398 [0,2,0,0,0,0|2,0,0]=4 21988 B11R0.154 CC[C@H](C)CN(C)CCCCO 2230a_100000717598_100009816398 [0,2,0,0,0,0|2,0,0]=4 21989 B11R0.154 CC[C@H](C)CN(C)CCCCO 269982a_100000717598_100009816398 [0,2,0,0,0,0|2,0,0]=4 21990 B11R0.154 CC[C@H](C)CN(C)CCCOC 2230a_100000224831_100009816398 [0,2,0,0,0,0|2,0,0]=4 21991 B11R0.154 CC[C@H](C)CN(C)CCCOC 269982a_100000224831_100009816398 [0,2,0,0,0,0|2,0,0]=4 21992 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000210183_200011215066 [0,2,0,0,0,0|1,0,0]=3 21993 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000725509_100000210211 [0,2,0,0,0,0|1,0,0]=3 21994 B11R0.11 CCCCC(=O)C(O)CCCC 1458a_100000720857_100000210211 [0,2,0,0,0,0|1,0,0]=3 21995 B11R0.11 CCCCC(=O)C(O)CCSC 1458a_100000685904_100000210211 [0,2,0,0,0,0|2,0,0]=4 21996 B11R0.11 CCCCC(=O)N(C)CCCC 11a_100000207549_100000210183 [0,2,0,0,0,0|1,0,1]=4 21997 B11R0.11 CCCCC(=O)N(C)CCCC 1626a_100000207549_100000210183 [0,2,0,0,0,0|1,0,1]=4 21998 B11R0.11 CCCCC(=O)N(C)CCCC 240690a_100000207549_100000210183 [0,2,0,0,0,0|1,0,1]=4 21999 B11R0.11 CCCCC(=O)N(C)CCCC 527a_100000207549_100000210183 [0,2,0,0,0,0|1,0,1]=4 22000 B11R0.11 CCCCC(C)C(=O)CCCF 1458a_100000725509_100011934791 [0,2,0,0,0,0|2,0,0]=4 22001 B11R0.11 CCCCC(C)C(=O)CCCO 1458a_100000725509_100011215043 [0,2,0,0,0,0|2,0,0]=4 22002 B11R0.11 CCCCC(C)C(=O)CCOC 1458a_100000725509_100000233755 [0,2,0,0,0,0|2,0,0]=4 22003 B11R0.11 CCCCC(C)C(=O)CCOC 1458a_100000749529_200011215066 [0,2,0,0,0,0|2,0,0]=4 22004 B11R0.11 CCCCC(C)C(=O)CCSC 1458a_100000174002_200011215066 [0,2,0,0,0,0|2,0,0]=4 22005 B11R0.11 CCCCC(C)C(=O)CCSC 1458a_100000725509_100000751147 [0,2,0,0,0,0|2,0,0]=4 22006 B11R0.11 CCCCC(C)C(=O)COCC 1458a_100000211967_200011215066 [0,2,0,0,0,0|2,0,0]=4 22007 B11R0.11 CCCCC(C)C(=O)CSCC 1458a_100000230394_200011215066 [0,2,0,0,0,0|2,0,0]=4 22008 B11R0.11 CCCCC(C)C(=O)NCCC 11a_100020643023_100000725509 [0,2,0,0,0,0|2,0,0]=4 22009 B11R0.11 CCCCC(C)C(=O)NCCC 1626a_100020643023_100000725509 [0,2,0,0,0,0|2,0,0]=4 22010 B11R0.11 CCCCC(C)C(=O)NCCC 240690a_100020643023_100000725509 [0,2,0,0,0,0|2,0,0]=4 22011 B11R0.11 CCCCC(C)C(=O)NCCC 527a_100020643023_100000725509 [0,2,0,0,0,0|2,0,0]=4 22012 B11R0.11 CCCCC(C)N(C)CCCC 2230a_100000207549_200011215066 [0,2,0,0,0,0|1,0,0]=3 22013 B11R0.11 CCCCC(C)N(C)CCCC 269982a_100000207549_200011215066 [0,2,0,0,0,0|1,0,0]=3 22014 B11R0.11 CCCCC(C)N(C)CCCC 270004a_100000207549_100000210087 [0,2,0,0,0,0|1,0,0]=3 22015 B11R0.11 CCCCC(C)N(C)CCCO 2230a_100000213112_200011215066 [0,2,0,0,0,0|2,0,0]=4 22016 B11R0.11 CCCCC(C)N(C)CCCO 269982a_100000213112_200011215066 [0,2,0,0,0,0|2,0,0]=4 22017 B11R0.11 CCCCC(C)N(C)CCCO 270004a_100000213112_100000210087 [0,2,0,0,0,0|2,0,0]=4 22018 B11R0.11 CCCCC(C)N(C)CCOC 2230a_100000743101_200011215066 [0,2,0,0,0,0|2,0,0]=4 22019 B11R0.11 CCCCC(C)N(C)CCOC 269982a_100000743101_200011215066 [0,2,0,0,0,0|2,0,0]=4 22020 B11R0.11 CCCCC(C)N(C)CCOC 270004a_100000743101_100000210087 [0,2,0,0,0,0|2,0,0]=4 22021 B11R0.11 CCCCC(C)N(C)CCSC 2230a_100000686725_200011215066 [0,2,0,0,0,0|2,0,0]=4 22022 B11R0.11 CCCCC(C)N(C)CCSC 269982a_100000686725_200011215066 [0,2,0,0,0,0|2,0,0]=4 22023 B11R0.11 CCCCC(C)N(C)CCSC 270004a_100000686725_100000210087 [0,2,0,0,0,0|2,0,0]=4 22024 B11R0.11 CCCCC(O)C(=O)CCCF 1458a_100000720857_100011934791 [0,2,0,0,0,0|2,0,0]=4 22025 B11R0.11 CCCCC(O)C(=O)CCCO 1458a_100000720857_100011215043 [0,2,0,0,0,0|2,0,0]=4 22026 B11R0.11 CCCCC(O)C(=O)CCOC 1458a_100000720857_100000233755 [0,2,0,0,0,0|2,0,0]=4 22027 B11R0.11 CCCCC(O)C(=O)CCSC 1458a_100000720857_100000751147 [0,2,0,0,0,0|2,0,0]=4 22028 B11R0.11 CCCCC(O)C(=O)NCCC 240690a_100020643023_100000720857 [0,2,0,0,0,0|2,0,0]=4 22029 B11R0.11 CCCCC(O)C(=O)NCCC 527a_100020643023_100000720857 [0,2,0,0,0,0|2,0,0]=4 22030 B11R0.11 CCCCN(C)C(C)CCOC 270004a_100000207549_100000742357 [0,2,0,0,0,0|2,0,0]=4 22031 B11R0.11 CCCCN(C)C(C)CCSC 270004a_100000207549_100011217047 [0,2,0,0,0,0|2,0,0]=4 22032 B11R0.11 CCCCN(C)C(C)CSCC 270004a_100000207549_200011216171 [0,2,0,0,0,0|2,0,0]=4 22033 B11R0.152 C#CC(CCCC)OC/C=C/C 34a_200011217967_100102629194 [0,2,0,0,0,0|0,0,2]=4 22034 B11R0.152 C#CC(CCCC)OC/C=C/C 7a_200011217967_100102629194 [0,2,0,0,0,0|0,0,2]=4 22035 B11R0.152 C#CC(CCCC)OCC#CC 34a_200011217967_100000748600 [0,2,0,0,0,0|0,0,2]=4 22036 B11R0.152 C#CC(CCCC)OCC#CC 7a_200011217967_100000748600 [0,2,0,0,0,0|0,0,2]=4 22037 B11R0.152 C#CC(CCCC)OCC=CC 34a_200011217967_100000070051 [0,2,0,0,0,0|0,0,2]=4 22038 B11R0.152 C#CC(CCCC)OCC=CC 7a_200011217967_100000070051 [0,2,0,0,0,0|0,0,2]=4 22039 B11R0.152 C#CC(CCCC)OCCC#N 7a_200011217967_100000184422 [0,2,0,0,0,0|1,0,1]=4 22040 B11R0.152 C#CC(CCCC)OCCC=C 34a_200011217967_100000754431 [0,2,0,0,0,0|0,0,2]=4 22041 B11R0.152 C#CC(CCCC)OCCC=C 7a_200011217967_100000754431 [0,2,0,0,0,0|0,0,2]=4 22042 B11R0.152 C#CC(CCCC)OCCCC 34a_200011217967_100000210210 [0,2,0,0,0,0|0,0,0]=2 22043 B11R0.152 C#CC(CCCC)OCCCC 7a_200011217967_100000210211 [0,2,0,0,0,0|0,0,0]=2 22044 B11R0.152 C#CC(CCCC)OCCCF 34a_200011217967_100011934791 [0,2,0,0,0,0|1,0,0]=3 22045 B11R0.152 C#CC(CCCC)OCCCF 7a_200011217967_100011934791 [0,2,0,0,0,0|1,0,0]=3 22046 B11R0.152 C#CC(CCCC)OCCCO 34a_200011217967_100000230001 [0,2,0,0,0,0|1,0,0]=3 22047 B11R0.152 C#CC(CCCC)OCCCO 7a_200011217967_100011215043 [0,2,0,0,0,0|1,0,0]=3 22048 B11R0.152 C#CC(CCCC)OCCOC 34a_200011217967_100011201679 [0,2,0,0,0,0|1,0,0]=3 22049 B11R0.152 C#CC(CCCC)OCCOC 7a_200011217967_100000233755 [0,2,0,0,0,0|1,0,0]=3 22050 B11R0.152 C#CC(CCCC)OCCSC 34a_200011217967_100000212216 [0,2,0,0,0,0|1,0,0]=3 22051 B11R0.152 C#CC(CCCC)OCCSC 7a_200011217967_100000212216 [0,2,0,0,0,0|1,0,0]=3 22052 B11R0.152 C#CC(CCCCC)OCCC 34a_100011216489_100000210303 [0,2,0,0,0,0|2,0,0]=4 22053 B11R0.152 C#CC(CCCCC)OCCC 7a_100011216489_100000210303 [0,2,0,0,0,0|2,0,0]=4 22054 B11R0.152 C#CCCOC(C#C)CCCC 34a_200011217967_100000688953 [0,2,0,0,0,0|0,0,2]=4 22055 B11R0.152 C#CCCOC(C#C)CCCC 7a_200011217967_100000688953 [0,2,0,0,0,0|0,0,2]=4 22056 B11R0.152 C#CCCOC(C=C)CCCC 34a_200011215037_100000688953 [0,2,0,0,0,0|0,0,2]=4 22057 B11R0.152 C#CCCOC(C=C)CCCC 7a_200011215037_100000688953 [0,2,0,0,0,0|0,0,2]=4 22058 B11R0.152 C#CCCOC(CC)CCCC 34a_100011215227_100000688953 [0,2,0,0,0,0|0,0,2]=4 22059 B11R0.152 C#CCCOC(CC)CCCC 34a_100011215631_200011216223 [0,2,0,0,0,0|0,0,2]=4 22060 B11R0.152 C#CCCOC(CC)CCCC 7a_100011215227_100000688953 [0,2,0,0,0,0|0,0,2]=4 22061 B11R0.152 C/C=C/COC(CC)CCCC 34a_100011215227_100102629194 [0,2,0,0,0,0|0,0,2]=4 22062 B11R0.152 C/C=C/COC(CC)CCCC 34a_100016270725_200011216223 [0,2,0,0,0,0|0,0,2]=4 22063 B11R0.152 C/C=C/COC(CC)CCCC 7a_100011215227_100102629194 [0,2,0,0,0,0|0,0,2]=4 22064 B11R0.152 C=CC(CCCC)OC/C=C/C 34a_200011215037_100102629194 [0,2,0,0,0,0|0,0,2]=4 22065 B11R0.152 C=CC(CCCC)OC/C=C/C 7a_200011215037_100102629194 [0,2,0,0,0,0|0,0,2]=4 22066 B11R0.152 C=CC(CCCC)OCC#CC 34a_200011215037_100000748600 [0,2,0,0,0,0|0,0,2]=4 22067 B11R0.152 C=CC(CCCC)OCC#CC 7a_200011215037_100000748600 [0,2,0,0,0,0|0,0,2]=4 22068 B11R0.152 C=CC(CCCC)OCC=CC 34a_200011215037_100000070051 [0,2,0,0,0,0|0,0,2]=4 22069 B11R0.152 C=CC(CCCC)OCC=CC 7a_200011215037_100000070051 [0,2,0,0,0,0|0,0,2]=4 22070 B11R0.152 C=CC(CCCC)OCCC#N 7a_200011215037_100000184422 [0,2,0,0,0,0|1,0,1]=4 22071 B11R0.152 C=CC(CCCC)OCCCC 34a_200011215037_100000210210 [0,2,0,0,0,0|0,0,0]=2 22072 B11R0.152 C=CC(CCCC)OCCCC 7a_200011215037_100000210211 [0,2,0,0,0,0|0,0,0]=2 22073 B11R0.152 C=CC(CCCC)OCCCF 34a_200011215037_100011934791 [0,2,0,0,0,0|1,0,0]=3 22074 B11R0.152 C=CC(CCCC)OCCCF 7a_200011215037_100011934791 [0,2,0,0,0,0|1,0,0]=3 22075 B11R0.152 C=CC(CCCC)OCCCO 34a_200011215037_100000230001 [0,2,0,0,0,0|1,0,0]=3 22076 B11R0.152 C=CC(CCCC)OCCCO 7a_200011215037_100011215043 [0,2,0,0,0,0|1,0,0]=3 22077 B11R0.152 C=CC(CCCC)OCCOC 34a_200011215037_100011201679 [0,2,0,0,0,0|1,0,0]=3 22078 B11R0.152 C=CC(CCCC)OCCOC 7a_200011215037_100000233755 [0,2,0,0,0,0|1,0,0]=3 22079 B11R0.152 C=CC(CCCC)OCCSC 34a_200011215037_100000212216 [0,2,0,0,0,0|1,0,0]=3 22080 B11R0.152 C=CC(CCCC)OCCSC 7a_200011215037_100000212216 [0,2,0,0,0,0|1,0,0]=3 22081 B11R0.152 C=CC(CCCCC)OCCC 34a_100011216863_100000210303 [0,2,0,0,0,0|2,0,0]=4 22082 B11R0.152 C=CC(CCCCC)OCCC 7a_100011216863_100000210303 [0,2,0,0,0,0|2,0,0]=4 22083 B11R0.152 C=CCCOC(C=C)CCCC 34a_200011215037_100000754431 [0,2,0,0,0,0|0,0,2]=4 22084 B11R0.152 C=CCCOC(C=C)CCCC 7a_200011215037_100000754431 [0,2,0,0,0,0|0,0,2]=4 22085 B11R0.152 C=CCCOC(CC)CCCC 34a_100011205117_200011216223 [0,2,0,0,0,0|0,0,2]=4 22086 B11R0.152 C=CCCOC(CC)CCCC 34a_100011215227_100000754431 [0,2,0,0,0,0|0,0,2]=4 22087 B11R0.152 C=CCCOC(CC)CCCC 7a_100011215227_100000754431 [0,2,0,0,0,0|0,0,2]=4 22088 B11R0.152 CC#CCOC(CC)CCCC 34a_100000761923_200011216223 [0,2,0,0,0,0|0,0,2]=4 22089 B11R0.152 CC#CCOC(CC)CCCC 34a_100011215227_100000748600 [0,2,0,0,0,0|0,0,2]=4 22090 B11R0.152 CC#CCOC(CC)CCCC 7a_100011215227_100000748600 [0,2,0,0,0,0|0,0,2]=4 22091 B11R0.152 CC=CCOC(CC)CCCC 34a_100011215227_100000070051 [0,2,0,0,0,0|0,0,2]=4 22092 B11R0.152 CC=CCOC(CC)CCCC 7a_100011215227_100000070051 [0,2,0,0,0,0|0,0,2]=4 22093 B11R0.152 CCCCC(CC)CNCCC 2230a_100000209976_100000210303 [0,2,0,0,0,0|2,0,0]=4 22094 B11R0.152 CCCCC(CC)CNCCC 269862a_100020643023_100011219736 [0,2,0,0,0,0|2,0,0]=4 22095 B11R0.152 CCCCC(CC)CNCCC 270004a_100020643023_100011219736 [0,2,0,0,0,0|2,0,0]=4 22096 B11R0.152 CCCCC(CC)COCCC 34a_100000210258_100000211942 [0,2,0,0,0,0|2,0,0]=4 22097 B11R0.152 CCCCC(CC)COCCC 34a_100000210273_100000210303 [0,2,0,0,0,0|2,0,0]=4 22098 B11R0.152 CCCCC(CC)COCCC 7a_100000210273_100000210303 [0,2,0,0,0,0|2,0,0]=4 22099 B11R0.152 CCCCC(CC)CSCCC 62a_100000210303_100000211942 [0,2,0,0,0,0|2,0,0]=4 22100 B11R0.152 CCCCC(CC)CSCCC 62a_100000211942_100000210303 [0,2,0,0,0,0|2,0,0]=4 22101 B11R0.152 CCCCC(CC)NCCCF 270004a_100015189416_100000753412 [0,2,0,0,0,0|2,0,0]=4 22102 B11R0.152 CCCCC(CC)NCCCF 34a_100015189416_200011216223 [0,2,0,0,0,0|2,0,0]=4 22103 B11R0.152 CCCCC(CC)NCCCO 270004a_100000182051_100000753412 [0,2,0,0,0,0|2,0,0]=4 22104 B11R0.152 CCCCC(CC)NCCOC 270004a_100000209980_100000753412 [0,2,0,0,0,0|2,0,0]=4 22105 B11R0.152 CCCCC(CC)NCCSC 270004a_100020590264_100000753412 [0,2,0,0,0,0|2,0,0]=4 22106 B11R0.152 CCCCC(CC)OCCC#N 7a_100011215227_100000184422 [0,2,0,0,0,0|1,0,1]=4 22107 B11R0.152 CCCCC(CC)OCCCBr 34a_100011217188_200011216223 [0,2,0,0,0,0|1,0,0]=3 22108 B11R0.152 CCCCC(CC)OCCCCl 34a_100000230001_200011216223 [0,2,0,0,0,0|1,0,0]=3 22109 B11R0.152 CCCCC(CC)OCCCF 34a_100000759539_200011216223 [0,2,0,0,0,0|1,0,0]=3 22110 B11R0.152 CCCCC(CC)OCCCF 34a_100011215227_100011934791 [0,2,0,0,0,0|1,0,0]=3 22111 B11R0.152 CCCCC(CC)OCCCF 7a_100011215227_100011934791 [0,2,0,0,0,0|1,0,0]=3 22112 B11R0.152 CCCCC(CC)OCCCN 34a_100000182051_200011216223 [0,2,0,0,0,0|1,0,0]=3 22113 B11R0.152 CCCCC(CC)OCCCO 34a_100011215227_100000230001 [0,2,0,0,0,0|1,0,0]=3 22114 B11R0.152 CCCCC(CC)OCCCO 7a_100011215227_100011215043 [0,2,0,0,0,0|1,0,0]=3 22115 B11R0.152 CCCCC(CC)OCCOC 34a_100000210237_200011216223 [0,2,0,0,0,0|1,0,0]=3 22116 B11R0.152 CCCCC(CC)OCCOC 34a_100011215227_100011201679 [0,2,0,0,0,0|1,0,0]=3 22117 B11R0.152 CCCCC(CC)OCCOC 7a_100011215227_100000233755 [0,2,0,0,0,0|1,0,0]=3 22118 B11R0.152 CCCCC(CC)OCCON 34a_100000700252_200011216223 [0,2,0,0,0,0|2,0,0]=4 22119 B11R0.152 CCCCC(CC)OCCSC 34a_100000230434_200011216223 [0,2,0,0,0,0|1,0,0]=3 22120 B11R0.152 CCCCC(CC)OCCSC 34a_100011215227_100000212216 [0,2,0,0,0,0|1,0,0]=3 22121 B11R0.152 CCCCC(CC)OCCSC 7a_100000230434_200011216223 [0,2,0,0,0,0|1,0,0]=3 22122 B11R0.152 CCCCC(CC)OCCSC 7a_100011215227_100000212216 [0,2,0,0,0,0|1,0,0]=3 22123 B11R0.152 CCCCC(CC)SCCCF 62a_100011934791_200011216223 [0,2,0,0,0,0|1,1,0]=4 22124 B11R0.152 CCCCC(CC)SCCCF 62a_200011216223_100011934791 [0,2,0,0,0,0|1,1,0]=4 22125 B11R0.152 CCCCC(CC)SCCCO 62a_100011215043_200011216223 [0,2,0,0,0,0|1,1,0]=4 22126 B11R0.152 CCCCC(CC)SCCCO 62a_200011216223_100011215043 [0,2,0,0,0,0|1,1,0]=4 22127 B11R0.152 CCCCC(CC)SCCOC 62a_100000233755_200011216223 [0,2,0,0,0,0|1,1,0]=4 22128 B11R0.152 CCCCC(CC)SCCOC 62a_200011216223_100000233755 [0,2,0,0,0,0|1,1,0]=4 22129 B11R0.152 CCCCC(CC)SCCSC 62a_100000212216_200011216223 [0,2,0,0,0,0|1,1,0]=4 22130 B11R0.152 CCCCC(CC)SCCSC 62a_200011216223_100000751147 [0,2,0,0,0,0|1,1,0]=4 22131 B11R0.152 CCCCC(CC)SCOCC 62a_100000739092_200011216223 [0,2,0,0,0,0|1,1,0]=4 22132 B11R0.152 CCCCC(CC)SCOCC 62a_200011216223_100000739092 [0,2,0,0,0,0|1,1,0]=4 22133 B11R0.152 CCCCCC(CC)NCCC 270004a_100020643023_100011215316 [0,2,0,0,0,0|2,0,0]=4 22134 B11R0.152 CCCCCC(CC)OCCC 34a_100011215405_100000210303 [0,2,0,0,0,0|2,0,0]=4 22135 B11R0.152 CCCCCC(CC)OCCC 7a_100011215405_100000210303 [0,2,0,0,0,0|2,0,0]=4 22136 B11R0.152 CCCCCC(CCCC)NC 270004a_106832991635_200011218572 [0,2,0,0,0,0|1,0,0]=3 22137 B11R0.152 CCCCCN(CC)CCCC 2230a_100000207695_100000210326 [0,2,0,0,0,0|1,0,0]=3 22138 B11R0.152 CCCCCN(CC)CCCC 269982a_100000207695_100000210215 [0,2,0,0,0,0|1,0,0]=3 22139 B11R0.152 CCCCCN(CC)CCOC 2230a_100000731262_100000210326 [0,2,0,0,0,0|2,0,0]=4 22140 B11R0.152 CCCCCN(CC)CCOC 269982a_100000731262_100000210215 [0,2,0,0,0,0|2,0,0]=4 22141 B11R0.152 CCCCN(CC)CCCCF 2230a_100000207695_100000729493 [0,2,0,0,0,0|2,0,0]=4 22142 B11R0.152 CCCCN(CC)CCCCF 269982a_100000207695_100000729493 [0,2,0,0,0,0|2,0,0]=4 22143 B11R0.152 CCCCN(CC)CCCCO 2230a_100000207695_100000210776 [0,2,0,0,0,0|2,0,0]=4 22144 B11R0.152 CCCCN(CC)CCCCO 2230a_100011217355_100000210211 [0,2,0,0,0,0|2,0,0]=4 22145 B11R0.152 CCCCN(CC)CCCCO 2230a_200011216965_100000210202 [0,2,0,0,0,0|2,0,0]=4 22146 B11R0.152 CCCCN(CC)CCCCO 269982a_100000207695_100000210776 [0,2,0,0,0,0|2,0,0]=4 22147 B11R0.152 CCCCN(CC)CCCCO 269982a_100011217355_100000210211 [0,2,0,0,0,0|2,0,0]=4 22148 B11R0.152 CCCCN(CC)CCCCO 269982a_200011216965_100000204670 [0,2,0,0,0,0|2,0,0]=4 22149 B11R0.152 CCCCN(CC)CCCOC 2230a_100000207695_100000740836 [0,2,0,0,0,0|2,0,0]=4 22150 B11R0.152 CCCCN(CC)CCCOC 269982a_100000207695_100000740836 [0,2,0,0,0,0|2,0,0]=4 22151 B11R0.152 CCCCN(CC)CCNCC 2230a_200011208488_100000210202 [0,2,0,0,0,0|2,0,0]=4 22152 B11R0.152 CCCCN(CC)CCOCC 2230a_100000207695_100011215890 [0,2,0,0,0,0|2,0,0]=4 22153 B11R0.152 CCCCN(CC)CCOCC 269982a_100000207695_100011215890 [0,2,0,0,0,0|2,0,0]=4 22154 B11R0.152 CCCCN(CC)CCSCC 2230a_100000207695_100000757381 [0,2,0,0,0,0|2,0,0]=4 22155 B11R0.152 CCCCN(CC)CCSCC 269982a_100000207695_100000757381 [0,2,0,0,0,0|2,0,0]=4 22156 B11R0.152 CCCCN(CF)CCCCO 269982a_200011216965_100015361967 [0,2,0,0,0,0|2,0,0]=4 22157 B11R0.152 CCCCNC(CC)CCCC 270004a_100000102301_100000753412 [0,2,0,0,0,0|1,0,0]=3 22158 B11R0.152 CCCCNC(CC)CCCC 7a_106832991798_200011216223 [0,2,0,0,0,0|1,0,0]=3 22159 B11R0.152 CCCCN[C@H](CO)CCCC 2230a_100011934283_100000210211 [0,2,0,0,0,0|1,0,0]=3 22160 B11R0.152 CCCCN[C@H](CO)CCCC 34a_100011934283_100000210210 [0,2,0,0,0,0|1,0,0]=3 22161 B11R0.152 CCCCN[C@H](CO)CCSC 2230a_100011827619_100000210211 [0,2,0,0,0,0|2,0,0]=4 22162 B11R0.152 CCCCOC(CC)CCCC 34a_100000210227_200011216223 [0,2,0,0,0,0|0,0,0]=2 22163 B11R0.152 CCCCOC(CC)CCCC 34a_100011215227_100000210210 [0,2,0,0,0,0|0,0,0]=2 22164 B11R0.152 CCCCOC(CC)CCCC 7a_100000210227_200011216223 [0,2,0,0,0,0|0,0,0]=2 22165 B11R0.152 CCCCOC(CC)CCCC 7a_100011215227_100000210211 [0,2,0,0,0,0|0,0,0]=2 22166 B11R0.152 CCCCOC(CN)COCC 34a_102515437182_100000210210 [0,2,0,0,0,0|1,0,0]=3 22167 B11R0.152 CCCCSC(CC)CCCC 62a_100000210211_200011216223 [0,2,0,0,0,0|0,1,0]=3 22168 B11R0.152 CCCCSC(CC)CCCC 62a_200011216223_100000210210 [0,2,0,0,0,0|0,1,0]=3 22169 B11R0.152 CCCC[C@@H](CO)NCCCF 2230a_100011934283_100011934791 [0,2,0,0,0,0|2,0,0]=4 22170 B11R0.152 CCCC[C@@H](CO)NCCCF 34a_100011934283_100011934791 [0,2,0,0,0,0|2,0,0]=4 22171 B11R0.152 CCCC[C@@H](CO)NCCCO 2230a_100011934283_100000230001 [0,2,0,0,0,0|2,0,0]=4 22172 B11R0.152 CCCC[C@@H](CO)NCCCO 34a_100011934283_100000230001 [0,2,0,0,0,0|2,0,0]=4 22173 B11R0.152 CCCC[C@@H](CO)NCCOC 2230a_100011934283_100011201679 [0,2,0,0,0,0|2,0,0]=4 22174 B11R0.152 CCCC[C@@H](CO)NCCOC 34a_100011934283_100011201679 [0,2,0,0,0,0|2,0,0]=4 22175 B11R0.152 CCCC[C@@H](CO)NCCSC 2230a_100011934283_100000751147 [0,2,0,0,0,0|2,0,0]=4 22176 B11R0.152 CCCC[C@@H](CO)NCCSC 34a_100011934283_100000212216 [0,2,0,0,0,0|2,0,0]=4 22177 B11R0.152 CCOCC(CN)OCCCF 34a_102515437182_100011934791 [0,2,0,0,0,0|2,0,0]=4 22178 B11R0.152 CCOCC(CN)OCCCO 34a_102515437182_100000230001 [0,2,0,0,0,0|2,0,0]=4 22179 B11R0.152 CCOCC(CN)OCCOC 34a_102515437182_100011201679 [0,2,0,0,0,0|2,0,0]=4 22180 B11R0.152 CCOCC(CN)OCCSC 34a_102515437182_100000212216 [0,2,0,0,0,0|2,0,0]=4 22181 B11R0.321 C#CCCOC(C)(C)CCCC 7a_100011219641_100000688953 [0,2,0,0,0,0|0,0,2]=4 22182 B11R0.321 C/C=C/COC(C)(C)CCCC 7a_100011219641_100102629194 [0,2,0,0,0,0|0,0,2]=4 22183 B11R0.321 C=CCCOC(C)(C)CCCC 7a_100011219641_100000754431 [0,2,0,0,0,0|0,0,2]=4 22184 B11R0.321 CC#CCOC(C)(C)CCCC 7a_100011219641_100000748600 [0,2,0,0,0,0|0,0,2]=4 22185 B11R0.321 CC(C)(CCCBr)OCCCF 7a_100009888830_100011934791 [0,2,0,0,0,0|2,0,0]=4 22186 B11R0.321 CC(C)(CCCBr)OCCCO 7a_100009888830_100011215043 [0,2,0,0,0,0|2,0,0]=4 22187 B11R0.321 CC=CCOC(C)(C)CCCC 7a_100011219641_100000070051 [0,2,0,0,0,0|0,0,2]=4 22188 B11R0.321 CCCCC(C)(C)COCCC 7a_200011995781_100000210303 [0,2,0,0,0,0|2,0,0]=4 22189 B11R0.321 CCCCC(C)(C)OCCC#N 7a_100011219641_100000184422 [0,2,0,0,0,0|1,0,1]=4 22190 B11R0.321 CCCCC(C)(C)OCCCF 7a_100011219641_100011934791 [0,2,0,0,0,0|1,0,0]=3 22191 B11R0.321 CCCCC(C)(C)OCCCO 7a_100011219641_100011215043 [0,2,0,0,0,0|1,0,0]=3 22192 B11R0.321 CCCCC(C)(C)OCCOC 7a_100011219641_100000233755 [0,2,0,0,0,0|1,0,0]=3 22193 B11R0.321 CCCCC(C)(C)OCCSC 7a_100011219641_100000212216 [0,2,0,0,0,0|1,0,0]=3 22194 B11R0.321 CCCCCS(=O)(=O)NCCC 270084a_100020643023_100000753860 [0,2,0,0,0,0|1,1,0]=4 22195 B11R0.321 CCCCCS(=O)(=O)NCCC 274078a_100020643023_100000753860 [0,2,0,0,0,0|1,1,0]=4 22196 B11R0.321 CCCCNS(=O)(=O)CCCC 270084a_100000102301_100000212082 [0,2,0,0,0,0|1,1,0]=4 22197 B11R0.321 CCCCNS(=O)(=O)CCCC 274078a_100000102301_100000212082 [0,2,0,0,0,0|1,1,0]=4 22198 B11R0.321 CCCCNS(=O)(=O)CCCC 40a_100000102301_100000054263 [0,2,0,0,0,0|1,1,0]=4 22199 B11R0.321 CCCCOC(C)(C)CCCBr 7a_100009888830_100000210211 [0,2,0,0,0,0|1,0,0]=3 22200 B11R0.321 CCCCOC(C)(C)CCCC 7a_100011219641_100000210211 [0,2,0,0,0,0|0,0,0]=2 22201 B11R0.321 CCCC[Si](C)(C)CSCCC 62a_100000210303_200000073895 [0,2,0,0,0,0|2,0,0]=4 22202 B11R0.321 CCCC[Si](C)(C)CSCCC 62a_200000073895_100000210303 [0,2,0,0,0,0|2,0,0]=4 22203 B11R0.321 COCCOC(C)(C)CCCBr 7a_100009888830_100000233755 [0,2,0,0,0,0|2,0,0]=4 22204 B11R0.321 CSCCOC(C)(C)CCCBr 7a_100009888830_100000212216 [0,2,0,0,0,0|2,0,0]=4 22205 B9R1.4 CCN1CCC1COC 2230a_100015195929_100000210202 [1,0,0,1,0,0|2,0,0]=4 22206 B9R1.4 CCN1CCC1COC 269982a_100015195929_100000204670 [1,0,0,1,0,0|2,0,0]=4 22207 B9R1.4 CCN1CCC1COC 34a_100015195929_100000210202 [1,0,0,1,0,0|2,0,0]=4 22208 B9R1.8 CCCN1CCCOC1 2230a_100000131196_100000210303 [1,0,0,1,0,0|1,0,0]=3 22209 B9R1.8 CCCN1CCCOC1 269982a_100000131196_100000210303 [1,0,0,1,0,0|1,0,0]=3 22210 B9R1.8 CCCN1CCCOC1 34a_100000131196_100000210303 [1,0,0,1,0,0|1,0,0]=3 22211 B9R1.8 CCCN1CCOCC1 2230a_100015191051_100000210303 [1,0,0,1,0,0|2,0,0]=4 22212 B9R1.8 CCCN1CCOCC1 269982a_100015191051_100000210303 [1,0,0,1,0,0|2,0,0]=4 22213 B9R1.8 CCCN1CCOCC1 34a_100015191051_100000210303 [1,0,0,1,0,0|2,0,0]=4 22214 B9R1.8 CCCN1CCSCC1 2230a_100000737611_100000210303 [1,0,0,1,0,0|2,0,0]=4 22215 B9R1.8 CCCN1CCSCC1 269982a_100000737611_100000210303 [1,0,0,1,0,0|2,0,0]=4 22216 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [1,0,0,1,0,0|1,0,0]=3 22217 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [1,0,0,1,0,0|1,0,0]=3 22218 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [1,0,0,1,0,0|1,0,0]=3 22219 B9R1.8 CCNC1CCCOC1 2230a_100000719290_100000210202 [1,0,0,1,0,0|1,0,0]=3 22220 B9R1.8 CCNC1CCCOC1 270004a_100015525214_100000753404 [1,0,0,1,0,0|1,0,0]=3 22221 B9R1.8 CCNC1CCCOC1 34a_100000719290_100000210202 [1,0,0,1,0,0|1,0,0]=3 22222 B9R1.8 CCNC1CCCSC1 270004a_100015525214_100000057913 [1,0,0,1,0,0|1,1,0]=4 22223 B9R1.8 CCNC1CCNCC1 270004a_100015525214_100015192401 [1,0,0,1,0,0|2,0,0]=4 22224 B9R1.8 CCNC1CCOCC1 2230a_100000741149_100000210202 [1,0,0,1,0,0|2,0,0]=4 22225 B9R1.8 CCNC1CCOCC1 270004a_100015525214_100011217826 [1,0,0,1,0,0|2,0,0]=4 22226 B9R1.8 CCNC1CCOCC1 34a_100000741149_100000210202 [1,0,0,1,0,0|2,0,0]=4 22227 B9R1.8 CCNC1CCSCC1 2230a_100000748639_100000210202 [1,0,0,1,0,0|2,0,0]=4 22228 B9R1.8 CCNC1CCSCC1 270004a_100015525214_100000203788 [1,0,0,1,0,0|2,0,0]=4 22229 B9R1.8 CCNC1CCSCC1 34a_100000748639_100000210202 [1,0,0,1,0,0|2,0,0]=4 22230 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [1,0,0,1,0,0|1,0,0]=3 22231 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [1,0,0,1,0,0|1,0,0]=3 22232 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [1,0,0,1,0,0|1,0,0]=3 22233 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [1,0,0,1,0,0|1,0,0]=3 22234 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [1,0,0,1,0,0|1,0,0]=3 22235 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [1,0,0,1,0,0|1,0,0]=3 22236 B9R1.8 CCOC1CCCSC1 7a_100015962668_100000210202 [1,0,0,1,0,0|1,1,0]=4 22237 B9R1.8 CCOC1CCOCC1 34a_100000744328_100000210202 [1,0,0,1,0,0|2,0,0]=4 22238 B9R1.8 CCOC1CCSCC1 34a_100000731022_100000210202 [1,0,0,1,0,0|2,0,0]=4 22239 B9R1.8 CCOC1CCSCC1 34a_100121572206_100000069128 [1,0,0,1,0,0|2,0,0]=4 22240 B9R1.8 CCOC1CCSCC1 7a_100000731022_100000210202 [1,0,0,1,0,0|2,0,0]=4 22241 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [1,0,0,1,0,0|1,0,0]=3 22242 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [1,0,0,1,0,0|1,0,0]=3 22243 B9R1.8 CCSC1CCCOC1 62a_100000210202_100000693364 [1,0,0,1,0,0|1,0,0]=3 22244 B9R1.8 CCSC1CCOCC1 62a_100000210202_100011324220 [1,0,0,1,0,0|2,0,0]=4 22245 B9R1.8 CCSC1CCSCC1 62a_100000210202_100000069128 [1,0,0,1,0,0|2,0,0]=4 22246 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [1,0,0,1,0,0|1,0,0]=3 22247 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [1,0,0,1,0,0|1,0,0]=3 22248 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [1,0,0,1,0,0|1,0,0]=3 22249 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [1,0,0,1,0,0|1,0,0]=3 22250 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [1,0,0,1,0,0|1,0,0]=3 22251 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [1,0,0,1,0,0|1,0,0]=3 22252 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [1,0,0,1,0,0|1,0,0]=3 22253 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [1,0,0,1,0,0|1,0,0]=3 22254 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [1,0,0,1,0,0|1,0,0]=3 22255 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [1,0,0,1,0,0|1,0,0]=3 22256 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [1,0,0,1,0,0|1,0,0]=3 22257 B9R1.8 CNCC1CCCOC1 2230a_100000720124_200000210301 [1,0,0,1,0,0|1,0,0]=3 22258 B9R1.8 CNCC1CCCOC1 2230a_106832991635_100000741521 [1,0,0,1,0,0|1,0,0]=3 22259 B9R1.8 CNCC1CCCOC1 34a_100000720124_200000210301 [1,0,0,1,0,0|1,0,0]=3 22260 B9R1.8 CNCC1CCCOC1 34a_100102657272_100000741521 [1,0,0,1,0,0|1,0,0]=3 22261 B9R1.8 CNCC1CCCOC1 7a_106832991635_100000741521 [1,0,0,1,0,0|1,0,0]=3 22262 B9R1.8 CNCC1CCOCC1 2230a_100000746373_200000210301 [1,0,0,1,0,0|2,0,0]=4 22263 B9R1.8 CNCC1CCOCC1 2230a_106832991635_100000754603 [1,0,0,1,0,0|2,0,0]=4 22264 B9R1.8 CNCC1CCOCC1 269862a_106832991636_100000749017 [1,0,0,1,0,0|2,0,0]=4 22265 B9R1.8 CNCC1CCOCC1 34a_100000746373_200000210301 [1,0,0,1,0,0|2,0,0]=4 22266 B9R1.8 CNCC1CCOCC1 34a_100102657272_100000754603 [1,0,0,1,0,0|2,0,0]=4 22267 B9R1.8 CNCC1CCOCC1 7a_106832991635_100000754603 [1,0,0,1,0,0|2,0,0]=4 22268 B9R1.8 CNCC1CCSCC1 2230a_100015188806_200000210301 [1,0,0,1,0,0|2,0,0]=4 22269 B9R1.8 CNCC1CCSCC1 269862a_106832991636_100000067145 [1,0,0,1,0,0|2,0,0]=4 22270 B9R1.8 CNCC1CCSCC1 270004a_106832991635_100000067145 [1,0,0,1,0,0|2,0,0]=4 22271 B9R1.8 CNCC1CCSCC1 34a_100015188806_200000210301 [1,0,0,1,0,0|2,0,0]=4 22272 B9R1.8 CNC[C@H]1COCCO1 2230a_100010981119_200000210301 [1,0,0,1,0,0|2,0,0]=4 22273 B9R1.8 CNC[C@H]1COCCO1 34a_100010981119_200000210301 [1,0,0,1,0,0|2,0,0]=4 22274 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [1,0,0,1,0,0|1,0,0]=3 22275 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [1,0,0,1,0,0|1,0,0]=3 22276 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [1,0,0,1,0,0|1,0,0]=3 22277 B9R1.8 COCC1CCCCN1 34a_100000210821_200000210301 [1,0,0,1,0,0|2,0,0]=4 22278 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [1,0,0,1,0,0|1,0,0]=3 22279 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [1,0,0,1,0,0|1,0,0]=3 22280 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [1,0,0,1,0,0|1,0,0]=3 22281 B9R1.8 COCC1CCCNC1 34a_100000211344_200000210301 [1,0,0,1,0,0|2,0,0]=4 22282 B9R1.8 COCC1CCCOC1 34a_100000741520_200000210301 [1,0,0,1,0,0|1,0,0]=3 22283 B9R1.8 COCC1CCCOC1 34a_100138415774_100000741521 [1,0,0,1,0,0|1,0,0]=3 22284 B9R1.8 COCC1CCNCC1 34a_100000738675_200000210301 [1,0,0,1,0,0|2,0,0]=4 22285 B9R1.8 COCC1CCOCC1 34a_100000749013_200000210301 [1,0,0,1,0,0|2,0,0]=4 22286 B9R1.8 COCC1CCOCC1 34a_100138415774_100000754603 [1,0,0,1,0,0|2,0,0]=4 22287 B9R1.8 COCC1CCSCC1 34a_100000070558_200000210301 [1,0,0,1,0,0|2,0,0]=4 22288 B9R1.8 COCC1CCSCC1 7a_100000070558_200000210301 [1,0,0,1,0,0|2,0,0]=4 22289 B9R1.8 COCN1CCCOC1 2230a_100000131196_100000766300 [1,0,0,1,0,0|2,0,0]=4 22290 B9R1.8 COCN1CCCOC1 269982a_100000131196_100000766300 [1,0,0,1,0,0|2,0,0]=4 22291 B9R1.8 COC[C@@H]1CNCCO1 34a_100015189573_200000210301 [1,0,0,1,0,0|2,0,0]=4 22292 B9R1.8 COC[C@@H]1COCCN1 34a_100000717676_200000210301 [1,0,0,1,0,0|2,0,0]=4 22293 B9R1.8 COC[C@H]1COCCO1 34a_100009875890_200000210301 [1,0,0,1,0,0|2,0,0]=4 22294 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [1,0,0,1,0,0|1,0,0]=3 22295 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [1,0,0,1,0,0|1,0,0]=3 22296 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [1,0,0,1,0,0|1,0,0]=3 22297 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [1,0,0,1,0,0|1,0,0]=3 22298 B9R1.8 CSCC1CCCOC1 62a_100000741521_200000210301 [1,0,0,1,0,0|1,0,0]=3 22299 B9R1.8 CSCC1CCCOC1 62a_200000210301_100000741521 [1,0,0,1,0,0|1,0,0]=3 22300 B9R1.8 CSCC1CCOCC1 62a_100000754603_200000210301 [1,0,0,1,0,0|2,0,0]=4 22301 B9R1.8 CSCC1CCOCC1 62a_200000210301_100000749018 [1,0,0,1,0,0|2,0,0]=4 22302 B9R1.8 CSCN1CCCOC1 2230a_100000131196_100011218213 [1,0,0,1,0,0|2,0,0]=4 22303 B9R1.8 CSCN1CCCOC1 269982a_100000131196_100011218213 [1,0,0,1,0,0|2,0,0]=4 22304 B9R1.8 CSCN1CCCOC1 34a_100000131196_100011218213 [1,0,0,1,0,0|2,0,0]=4 22305 B9R1.8 FCCN1CCCOC1 2230a_100000131196_100011217306 [1,0,0,1,0,0|2,0,0]=4 22306 B9R1.8 FCCN1CCCOC1 269982a_100000131196_100011217306 [1,0,0,1,0,0|2,0,0]=4 22307 B9R1.8 FCCN1CCCOC1 34a_100000131196_100011217306 [1,0,0,1,0,0|2,0,0]=4 22308 B9R1.8 FCNC1CCCCC1 34a_100000182618_100015361967 [1,0,0,1,0,0|2,0,0]=4 22309 B9R1.8 FCNC1CCCOC1 34a_100000719290_100015361967 [1,0,0,1,0,0|2,0,0]=4 22310 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [1,0,0,1,0,0|2,0,0]=4 22311 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [1,0,0,1,0,0|2,0,0]=4 22312 B9R1.8 FCOC1CCCCO1 34a_100000033831_100015361967 [1,0,0,1,0,0|2,0,0]=4 22313 B9R1.8 FCOC1CCCOC1 34a_100000754041_100015361967 [1,0,0,1,0,0|2,0,0]=4 22314 B9R1.8 FCSC1CCCCC1 62a_100000210327_100015361967 [1,0,0,1,0,0|2,0,0]=4 22315 B9R1.8 FCSC1CCCCC1 62a_100015361967_100000210327 [1,0,0,1,0,0|2,0,0]=4 22316 B9R1.8 FCSC1CCCOC1 62a_100015361967_100000693364 [1,0,0,1,0,0|2,0,0]=4 22317 B9R1.8 OCCN1CCCOC1 2230a_100000131196_100000211926 [1,0,0,1,0,0|2,0,0]=4 22318 B9R1.8 OCCN1CCCOC1 269982a_100000131196_100000211926 [1,0,0,1,0,0|2,0,0]=4 22319 B9R1.8 OCCN1CCCOC1 34a_100000131196_100000211926 [1,0,0,1,0,0|2,0,0]=4 22320 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [1,0,0,1,0,0|1,0,0]=3 22321 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [1,0,0,1,0,0|1,0,0]=3 22322 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [1,0,0,1,0,0|1,0,0]=3 22323 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [1,0,0,1,0,0|1,0,0]=3 22324 B9R1.8 [13CH3]NCC1CCCOC1 2230a_100000720124_200025704644 [1,0,0,1,0,0|1,0,0]=3 22325 B9R1.8 [13CH3]NCC1CCCOC1 34a_100000720124_200025704644 [1,0,0,1,0,0|1,0,0]=3 22326 B9R1.8 [13CH3]NCC1CCOCC1 2230a_100000746373_200025704644 [1,0,0,1,0,0|2,0,0]=4 22327 B9R1.8 [13CH3]NCC1CCOCC1 34a_100000746373_200025704644 [1,0,0,1,0,0|2,0,0]=4 22328 B9R1.8 [13CH3]NCC1CCSCC1 2230a_100015188806_200025704644 [1,0,0,1,0,0|2,0,0]=4 22329 B9R1.8 [13CH3]NCC1CCSCC1 34a_100015188806_200025704644 [1,0,0,1,0,0|2,0,0]=4 22330 B9R1.8 [13CH3]NC[C@H]1COCCO1 2230a_100010981119_200025704644 [1,0,0,1,0,0|2,0,0]=4 22331 B9R1.8 [13CH3]NC[C@H]1COCCO1 34a_100010981119_200025704644 [1,0,0,1,0,0|2,0,0]=4 22332 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [1,0,0,1,0,0|1,0,0]=3 22333 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [1,0,0,1,0,0|1,0,0]=3 22334 B9R1.8 [13CH3]OCC1CCCCN1 34a_100000210821_200025704644 [1,0,0,1,0,0|2,0,0]=4 22335 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [1,0,0,1,0,0|1,0,0]=3 22336 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [1,0,0,1,0,0|1,0,0]=3 22337 B9R1.8 [13CH3]OCC1CCCNC1 34a_100000211344_200025704644 [1,0,0,1,0,0|2,0,0]=4 22338 B9R1.8 [13CH3]OCC1CCCOC1 34a_100000741520_200025704644 [1,0,0,1,0,0|1,0,0]=3 22339 B9R1.8 [13CH3]OCC1CCNCC1 34a_100000738675_200025704644 [1,0,0,1,0,0|2,0,0]=4 22340 B9R1.8 [13CH3]OCC1CCOCC1 34a_100000749013_200025704644 [1,0,0,1,0,0|2,0,0]=4 22341 B9R1.8 [13CH3]OCC1CCSCC1 34a_100000070558_200025704644 [1,0,0,1,0,0|2,0,0]=4 22342 B9R1.8 [13CH3]OCC1CCSCC1 7a_100000070558_200025704644 [1,0,0,1,0,0|2,0,0]=4 22343 B9R1.8 [13CH3]OC[C@@H]1CNCCO1 34a_100015189573_200025704644 [1,0,0,1,0,0|2,0,0]=4 22344 B9R1.8 [13CH3]OC[C@@H]1COCCN1 34a_100000717676_200025704644 [1,0,0,1,0,0|2,0,0]=4 22345 B9R1.8 [13CH3]OC[C@H]1COCCO1 34a_100009875890_200025704644 [1,0,0,1,0,0|2,0,0]=4 22346 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [1,0,0,1,0,0|1,0,0]=3 22347 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [1,0,0,1,0,0|1,0,0]=3 22348 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [1,0,0,1,0,0|1,0,0]=3 22349 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [1,0,0,1,0,0|1,0,0]=3 22350 B9R1.8 [13CH3]SCC1CCCOC1 62a_100000741521_200025704644 [1,0,0,1,0,0|1,0,0]=3 22351 B9R1.8 [13CH3]SCC1CCCOC1 62a_200025704644_100000741521 [1,0,0,1,0,0|1,0,0]=3 22352 B9R1.8 [13CH3]SCC1CCOCC1 62a_100000754603_200025704644 [1,0,0,1,0,0|2,0,0]=4 22353 B9R1.8 [13CH3]SCC1CCOCC1 62a_200025704644_100000749018 [1,0,0,1,0,0|2,0,0]=4 22354 B9R1.12 BrCCOC1CCCC1 34a_100000211926_100000179811 [1,0,0,1,0,0|1,0,0]=3 22355 B9R1.12 BrCCOC1CCOC1 34a_100000211926_100000690089 [1,0,0,1,0,0|2,0,0]=4 22356 B9R1.12 C#CCOC1CCCC1 34a_100000210247_100000179811 [1,0,0,1,0,0|0,0,2]=4 22357 B9R1.12 C#CCOC1CCCC1 34a_100000210269_100000184674 [1,0,0,1,0,0|0,0,2]=4 22358 B9R1.12 C#CCOC1CCCC1 7a_100000210269_100000038162 [1,0,0,1,0,0|0,0,2]=4 22359 B9R1.12 C=CCOC1CCCC1 34a_100000210269_100015514636 [1,0,0,1,0,0|0,0,2]=4 22360 B9R1.12 C=CCOC1CCCC1 34a_200000210373_100000179811 [1,0,0,1,0,0|0,0,2]=4 22361 B9R1.12 C=CCOC1CCCC1 7a_100000210269_100015514636 [1,0,0,1,0,0|0,0,2]=4 22362 B9R1.12 CCCCN1CCCC1 2230a_100000188435_100000210211 [1,0,0,1,0,0|1,0,0]=3 22363 B9R1.12 CCCCN1CCCC1 269982a_100000188435_100000210211 [1,0,0,1,0,0|1,0,0]=3 22364 B9R1.12 CCCCN1CCSC1 2230a_100011215254_100000210211 [1,0,0,1,0,0|2,0,0]=4 22365 B9R1.12 CCCCN1CCSC1 269982a_100011215254_100000210211 [1,0,0,1,0,0|2,0,0]=4 22366 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [1,0,0,1,0,0|1,0,0]=3 22367 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [1,0,0,1,0,0|1,0,0]=3 22368 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [1,0,0,1,0,0|1,0,0]=3 22369 B9R1.12 CCCNC1CCOC1 270004a_100020643023_100000752484 [1,0,0,1,0,0|2,0,0]=4 22370 B9R1.12 CCCNC1CCSC1 270004a_100020643023_100000212027 [1,0,0,1,0,0|2,0,0]=4 22371 B9R1.12 CCCN[C@@H]1CCOC1 2230a_200015188469_100000210303 [1,0,0,1,0,0|2,0,0]=4 22372 B9R1.12 CCCN[C@H]1CCOC1 2230a_100015188467_100000210303 [1,0,0,1,0,0|2,0,0]=4 22373 B9R1.12 CCCN[C@H]1CCOC1 34a_100015188467_100000210303 [1,0,0,1,0,0|2,0,0]=4 22374 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [1,0,0,1,0,0|0,0,0]=2 22375 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [1,0,0,1,0,0|0,0,0]=2 22376 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [1,0,0,1,0,0|0,0,0]=2 22377 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [1,0,0,1,0,0|1,0,0]=3 22378 B9R1.12 CCCOC1CCOC1 34a_100000210258_100000690089 [1,0,0,1,0,0|1,0,0]=3 22379 B9R1.12 CCCOC1CCSC1 7a_100011232664_100000210303 [1,0,0,1,0,0|1,0,0]=3 22380 B9R1.12 CCCO[C@H]1CCOC1 34a_100000717292_100000210303 [1,0,0,1,0,0|1,0,0]=3 22381 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [1,0,0,1,0,0|0,1,0]=3 22382 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [1,0,0,1,0,0|0,1,0]=3 22383 B9R1.12 CCCSC1CCOC1 62a_100000210303_100000690089 [1,0,0,1,0,0|1,1,0]=4 22384 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [1,0,0,1,0,0|1,0,0]=3 22385 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [1,0,0,1,0,0|1,0,0]=3 22386 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [1,0,0,1,0,0|1,0,0]=3 22387 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [1,0,0,1,0,0|1,0,0]=3 22388 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [1,0,0,1,0,0|1,0,0]=3 22389 B9R1.12 CCNCC1CCOC1 2230a_100000737293_100000210202 [1,0,0,1,0,0|2,0,0]=4 22390 B9R1.12 CCNCC1CCOC1 2230a_100015525214_100000702531 [1,0,0,1,0,0|2,0,0]=4 22391 B9R1.12 CCNCC1CCOC1 34a_100000737293_100000210202 [1,0,0,1,0,0|2,0,0]=4 22392 B9R1.12 CCNCC1OCCO1 2230a_100000036311_100000210202 [1,0,0,1,0,0|2,0,0]=4 22393 B9R1.12 CCNCC1OCCO1 2230a_100015525214_100000755774 [1,0,0,1,0,0|2,0,0]=4 22394 B9R1.12 CCNCC1OCCO1 34a_100000036311_100000210202 [1,0,0,1,0,0|2,0,0]=4 22395 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [1,0,0,1,0,0|1,0,0]=3 22396 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [1,0,0,1,0,0|1,0,0]=3 22397 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [1,0,0,1,0,0|1,0,0]=3 22398 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [1,0,0,1,0,0|1,0,0]=3 22399 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [1,0,0,1,0,0|1,0,0]=3 22400 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [1,0,0,1,0,0|1,0,0]=3 22401 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [1,0,0,1,0,0|1,0,0]=3 22402 B9R1.12 CCOCC1CCNC1 34a_100000748654_100000210202 [1,0,0,1,0,0|2,0,0]=4 22403 B9R1.12 CCOCC1CCOC1 34a_100000740260_100000210202 [1,0,0,1,0,0|2,0,0]=4 22404 B9R1.12 CCOCC1CCOC1 34a_100121572206_100011261433 [1,0,0,1,0,0|2,0,0]=4 22405 B9R1.12 CCOCC1COCO1 34a_100011216627_100000210202 [1,0,0,1,0,0|2,0,0]=4 22406 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [1,0,0,1,0,0|2,0,0]=4 22407 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [1,0,0,1,0,0|2,0,0]=4 22408 B9R1.12 CCOCN1CCCC1 269982a_100000188435_100000739092 [1,0,0,1,0,0|2,0,0]=4 22409 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [1,0,0,1,0,0|2,0,0]=4 22410 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [1,0,0,1,0,0|1,0,0]=3 22411 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [1,0,0,1,0,0|1,0,0]=3 22412 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [1,0,0,1,0,0|1,0,0]=3 22413 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [1,0,0,1,0,0|1,0,0]=3 22414 B9R1.12 CCSCC1CCOC1 62a_100000210202_100000702531 [1,0,0,1,0,0|2,0,0]=4 22415 B9R1.12 CCSCC1CCOC1 62a_100000702531_100000210202 [1,0,0,1,0,0|2,0,0]=4 22416 B9R1.12 CCSCC1OCCO1 62a_100000210202_100000755774 [1,0,0,1,0,0|2,0,0]=4 22417 B9R1.12 CCSCC1OCCO1 62a_100000755774_100000210202 [1,0,0,1,0,0|2,0,0]=4 22418 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [1,0,0,1,0,0|1,0,0]=3 22419 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [1,0,0,1,0,0|1,0,0]=3 22420 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [1,0,0,1,0,0|1,0,0]=3 22421 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [1,0,0,1,0,0|1,0,0]=3 22422 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [1,0,0,1,0,0|1,0,0]=3 22423 B9R1.12 CNCCC1OCCO1 2230a_100000034215_200000210301 [1,0,0,1,0,0|2,0,0]=4 22424 B9R1.12 CNCCC1OCCO1 2230a_106832991635_100000740749 [1,0,0,1,0,0|2,0,0]=4 22425 B9R1.12 CNCCC1OCCO1 34a_100000034215_200000210301 [1,0,0,1,0,0|2,0,0]=4 22426 B9R1.12 CNCCC1OCCO1 34a_100102657272_100000740749 [1,0,0,1,0,0|2,0,0]=4 22427 B9R1.12 CNCCC1OCCO1 7a_106832991635_100000740749 [1,0,0,1,0,0|2,0,0]=4 22428 B9R1.12 CNCCN1CCCC1 7a_106832991635_100000004467 [1,0,0,1,0,0|2,0,0]=4 22429 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [1,0,0,1,0,0|1,0,0]=3 22430 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [1,0,0,1,0,0|1,0,0]=3 22431 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [1,0,0,1,0,0|1,0,0]=3 22432 B9R1.12 COCCC1CCNC1 34a_100016987287_200000210301 [1,0,0,1,0,0|2,0,0]=4 22433 B9R1.12 COCCC1CCOC1 34a_100011879284_200000210301 [1,0,0,1,0,0|2,0,0]=4 22434 B9R1.12 COCCC1OCCO1 34a_100138415774_100000740749 [1,0,0,1,0,0|2,0,0]=4 22435 B9R1.12 COCCN1CCCC1 2230a_100000188435_100011201679 [1,0,0,1,0,0|2,0,0]=4 22436 B9R1.12 COCCN1CCCC1 269982a_100000188435_100000233755 [1,0,0,1,0,0|2,0,0]=4 22437 B9R1.12 COCNC1CCCC1 2230a_100000211070_100000766300 [1,0,0,1,0,0|2,0,0]=4 22438 B9R1.12 COCSC1CCCC1 62a_100000766300_100000179811 [1,0,0,1,0,0|1,1,0]=4 22439 B9R1.12 COCSC1CCCC1 62a_100011217020_100000766300 [1,0,0,1,0,0|1,1,0]=4 22440 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [1,0,0,1,0,0|1,0,0]=3 22441 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [1,0,0,1,0,0|1,0,0]=3 22442 B9R1.12 CSCCC1OCCO1 62a_200000210301_100000740749 [1,0,0,1,0,0|2,0,0]=4 22443 B9R1.12 CSCCN1CCCC1 2230a_100000188435_100000751147 [1,0,0,1,0,0|2,0,0]=4 22444 B9R1.12 CSCCN1CCCC1 269982a_100000188435_100000212216 [1,0,0,1,0,0|2,0,0]=4 22445 B9R1.12 CSCCN1CCCC1 62a_100000700749_200000210301 [1,0,0,1,0,0|2,0,0]=4 22446 B9R1.12 CSCCN1CCCC1 62a_200000210301_100000004467 [1,0,0,1,0,0|2,0,0]=4 22447 B9R1.12 CSCNC1CCCC1 2230a_100000211070_100011218213 [1,0,0,1,0,0|2,0,0]=4 22448 B9R1.12 CSCNC1CCCC1 34a_100000211070_100011218213 [1,0,0,1,0,0|2,0,0]=4 22449 B9R1.12 CSCOC1CCCC1 34a_100000210269_100011218213 [1,0,0,1,0,0|1,0,0]=3 22450 B9R1.12 CSCOC1CCCO1 34a_100000085407_100011218213 [1,0,0,1,0,0|2,0,0]=4 22451 B9R1.12 CSCO[C@H]1CCOC1 34a_100000717292_100011218213 [1,0,0,1,0,0|2,0,0]=4 22452 B9R1.12 CSCSC1CCCC1 62a_100011217020_100011218213 [1,0,0,1,0,0|1,1,0]=4 22453 B9R1.12 CSCSC1CCCC1 62a_100011218213_100000179811 [1,0,0,1,0,0|1,1,0]=4 22454 B9R1.12 FCCCN1CCCC1 2230a_100000188435_100011934791 [1,0,0,1,0,0|2,0,0]=4 22455 B9R1.12 FCCCN1CCCC1 269982a_100000188435_100011934791 [1,0,0,1,0,0|2,0,0]=4 22456 B9R1.12 FCCNC1CCCC1 2230a_100000211070_100011217306 [1,0,0,1,0,0|2,0,0]=4 22457 B9R1.12 FCCNC1CCCC1 34a_100000211070_100011217306 [1,0,0,1,0,0|2,0,0]=4 22458 B9R1.12 FCCNC1CCCC1 34a_100000724931_100000179811 [1,0,0,1,0,0|2,0,0]=4 22459 B9R1.12 FCCOC1CCCC1 34a_100000210269_100011217306 [1,0,0,1,0,0|1,0,0]=3 22460 B9R1.12 FCCOC1CCCC1 7a_100000210269_100011217306 [1,0,0,1,0,0|1,0,0]=3 22461 B9R1.12 FCCOC1CCCO1 34a_100000085407_100011217306 [1,0,0,1,0,0|2,0,0]=4 22462 B9R1.12 FCCOC1CCSC1 7a_100011232664_100011217306 [1,0,0,1,0,0|2,0,0]=4 22463 B9R1.12 FCCO[C@H]1CCOC1 34a_100000717292_100011217306 [1,0,0,1,0,0|2,0,0]=4 22464 B9R1.12 FCCSC1CCCC1 62a_100011217020_100011217306 [1,0,0,1,0,0|1,1,0]=4 22465 B9R1.12 FCCSC1CCCC1 62a_100011217306_100000179811 [1,0,0,1,0,0|1,1,0]=4 22466 B9R1.12 FCNCC1CCCC1 34a_100000737975_100015361967 [1,0,0,1,0,0|2,0,0]=4 22467 B9R1.12 FCNC[C@@H]1CCCO1 34a_100020590478_100015361967 [1,0,0,1,0,0|2,0,0]=4 22468 B9R1.12 FCOCC1CCCC1 34a_100000742336_100015361967 [1,0,0,1,0,0|2,0,0]=4 22469 B9R1.12 FCOCC1CCCC1 7a_100000742336_100015361967 [1,0,0,1,0,0|2,0,0]=4 22470 B9R1.12 FCOCC1CCCO1 34a_100000210270_100015361967 [1,0,0,1,0,0|2,0,0]=4 22471 B9R1.12 FCOCC1CCCO1 7a_100000210270_100015361967 [1,0,0,1,0,0|2,0,0]=4 22472 B9R1.12 FCSCC1CCCC1 62a_100000740388_100015361967 [1,0,0,1,0,0|2,0,0]=4 22473 B9R1.12 FCSCC1CCCC1 62a_100015361967_100000740388 [1,0,0,1,0,0|2,0,0]=4 22474 B9R1.12 FCSCC1CCCO1 62a_100000203698_100015361967 [1,0,0,1,0,0|2,0,0]=4 22475 B9R1.12 FCSCC1CCCO1 62a_100015361967_100000203698 [1,0,0,1,0,0|2,0,0]=4 22476 B9R1.12 N#CCOC1CCCC1 7a_100000210269_100011215382 [1,0,0,1,0,0|1,0,1]=4 22477 B9R1.12 NCCOC1CCCC1 34a_100000210304_100000179811 [1,0,0,1,0,0|1,0,0]=3 22478 B9R1.12 NCCOC1CCOC1 34a_100000210304_100000690089 [1,0,0,1,0,0|2,0,0]=4 22479 B9R1.12 O=CCOC1CCCC1 34a_100000210269_200009817547 [1,0,0,1,0,0|1,0,1]=4 22480 B9R1.12 O=CCOC1CCCC1 7a_100000210269_200015260668 [1,0,0,1,0,0|1,0,1]=4 22481 B9R1.12 OCCCN1CCCC1 2230a_100000188435_100000230001 [1,0,0,1,0,0|2,0,0]=4 22482 B9R1.12 OCCCN1CCCC1 269982a_100000188435_100011215043 [1,0,0,1,0,0|2,0,0]=4 22483 B9R1.12 OCCNC1CCCC1 2230a_100000211070_100000211926 [1,0,0,1,0,0|2,0,0]=4 22484 B9R1.12 OCCNC1CCCC1 2230a_100016997473_100000179811 [1,0,0,1,0,0|2,0,0]=4 22485 B9R1.12 OCCNC1CCCC1 270004a_100000210304_100000210133 [1,0,0,1,0,0|2,0,0]=4 22486 B9R1.12 OCCNC1CCCC1 34a_100000211070_100000211926 [1,0,0,1,0,0|2,0,0]=4 22487 B9R1.12 OCCNC1CCCC1 34a_100016990907_100000179811 [1,0,0,1,0,0|2,0,0]=4 22488 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [1,0,0,1,0,0|1,0,0]=3 22489 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [1,0,0,1,0,0|1,0,0]=3 22490 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [1,0,0,1,0,0|2,0,0]=4 22491 B9R1.12 OCCOC1CCSC1 7a_100011232664_100000211926 [1,0,0,1,0,0|2,0,0]=4 22492 B9R1.12 OCCO[C@H]1CCOC1 34a_100000717292_100000211926 [1,0,0,1,0,0|2,0,0]=4 22493 B9R1.12 OCCSC1CCCC1 62a_100000211926_100000179811 [1,0,0,1,0,0|1,1,0]=4 22494 B9R1.12 OCCSC1CCCC1 62a_100011217020_100000211926 [1,0,0,1,0,0|1,1,0]=4 22495 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [1,0,0,1,0,0|1,0,0]=3 22496 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [1,0,0,1,0,0|1,0,0]=3 22497 B9R1.12 [13CH3]NCCC1OCCO1 2230a_100000034215_200025704644 [1,0,0,1,0,0|2,0,0]=4 22498 B9R1.12 [13CH3]NCCC1OCCO1 34a_100000034215_200025704644 [1,0,0,1,0,0|2,0,0]=4 22499 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [1,0,0,1,0,0|1,0,0]=3 22500 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [1,0,0,1,0,0|1,0,0]=3 22501 B9R1.12 [13CH3]OCCC1CCNC1 34a_100016987287_200025704644 [1,0,0,1,0,0|2,0,0]=4 22502 B9R1.12 [13CH3]OCCC1CCOC1 34a_100011879284_200025704644 [1,0,0,1,0,0|2,0,0]=4 22503 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [1,0,0,1,0,0|1,0,0]=3 22504 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [1,0,0,1,0,0|1,0,0]=3 22505 B9R1.12 [13CH3]SCCC1OCCO1 62a_200025704644_100000740749 [1,0,0,1,0,0|2,0,0]=4 22506 B9R1.12 [13CH3]SCCN1CCCC1 62a_100000700749_200025704644 [1,0,0,1,0,0|2,0,0]=4 22507 B9R1.12 [13CH3]SCCN1CCCC1 62a_200025704644_100000004467 [1,0,0,1,0,0|2,0,0]=4 22508 B9R1.14 CCC1CCCC1NC 269862a_106832991636_100000749056 [1,0,0,1,0,0|1,0,0]=3 22509 B9R1.14 CCC1CCCC1NC 270004a_106832991635_100000749056 [1,0,0,1,0,0|1,0,0]=3 22510 B9R1.14 CCC1CCCN1CC 2230a_100000754278_100000210202 [1,0,0,1,0,0|1,0,0]=3 22511 B9R1.14 CCC1CCCN1CC 269982a_100000754278_100000204670 [1,0,0,1,0,0|1,0,0]=3 22512 B9R1.14 CCC1CCCN1CC 34a_100000754278_100000210202 [1,0,0,1,0,0|1,0,0]=3 22513 B9R1.14 CCC1CCCN1CF 269982a_100000754278_100015361967 [1,0,0,1,0,0|2,0,0]=4 22514 B9R1.14 CCC1CCCN1CF 34a_100000754278_100015361967 [1,0,0,1,0,0|2,0,0]=4 22515 B9R1.14 CCN1CCC[C@@H]1CO 2230a_100000745186_100000210202 [1,0,0,1,0,0|2,0,0]=4 22516 B9R1.14 CCN1CCC[C@@H]1CO 269982a_100000745186_100000204670 [1,0,0,1,0,0|2,0,0]=4 22517 B9R1.14 CCN1CCC[C@@H]1CO 34a_100000745186_100000210202 [1,0,0,1,0,0|2,0,0]=4 22518 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [1,0,0,1,0,0|1,0,0]=3 22519 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [1,0,0,1,0,0|1,0,0]=3 22520 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [1,0,0,1,0,0|1,0,0]=3 22521 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [1,0,0,1,0,0|1,0,0]=3 22522 B9R1.15 CC1CCCCN1CF 269982a_100000211376_100015361967 [1,0,0,1,0,0|2,0,0]=4 22523 B9R1.15 CC1CCCCN1CF 34a_100000211376_100015361967 [1,0,0,1,0,0|2,0,0]=4 22524 B9R1.15 CC1CCNCC1O[13CH3] 34a_100000696640_200025704644 [1,0,0,1,0,0|2,0,0]=4 22525 B9R1.15 CC1CNCCC1O[13CH3] 34a_100011998114_200025704644 [1,0,0,1,0,0|2,0,0]=4 22526 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [1,0,0,1,0,0|1,0,0]=3 22527 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [1,0,0,1,0,0|1,0,0]=3 22528 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [1,0,0,1,0,0|1,0,0]=3 22529 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [1,0,0,1,0,0|1,0,0]=3 22530 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [1,0,0,1,0,0|1,0,0]=3 22531 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [1,0,0,1,0,0|1,0,0]=3 22532 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [1,0,0,1,0,0|1,0,0]=3 22533 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [1,0,0,1,0,0|1,0,0]=3 22534 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [1,0,0,1,0,0|1,0,0]=3 22535 B9R1.15 CCN1CCOC[C@@H]1C 2230a_100009815349_100000210202 [1,0,0,1,0,0|1,0,0]=3 22536 B9R1.15 CCN1CCOC[C@@H]1C 269982a_100009815349_100000204670 [1,0,0,1,0,0|1,0,0]=3 22537 B9R1.15 CCN1CCOC[C@@H]1C 34a_100009815349_100000210202 [1,0,0,1,0,0|1,0,0]=3 22538 B9R1.15 CC[C@H]1COCCN1C 2230a_100016988097_200000210301 [1,0,0,1,0,0|1,0,0]=3 22539 B9R1.15 CC[C@H]1COCCN1C 269982a_100016988097_200000210301 [1,0,0,1,0,0|1,0,0]=3 22540 B9R1.15 CC[C@H]1COCCN1C 34a_100016988097_200000210301 [1,0,0,1,0,0|1,0,0]=3 22541 B9R1.15 CC[C@H]1COCCN1[13CH3] 2230a_100016988097_200025704644 [1,0,0,1,0,0|1,0,0]=3 22542 B9R1.15 CC[C@H]1COCCN1[13CH3] 269982a_100016988097_200025704644 [1,0,0,1,0,0|1,0,0]=3 22543 B9R1.15 CC[C@H]1COCCN1[13CH3] 34a_100016988097_200025704644 [1,0,0,1,0,0|1,0,0]=3 22544 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [1,0,0,1,0,0|2,0,0]=4 22545 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [1,0,0,1,0,0|2,0,0]=4 22546 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [1,0,0,1,0,0|2,0,0]=4 22547 B9R1.15 CN1CCOC[C@H]1CO 2230a_100000717676_200000210301 [1,0,0,1,0,0|2,0,0]=4 22548 B9R1.15 CN1CCOC[C@H]1CO 269982a_100000717676_200000210301 [1,0,0,1,0,0|2,0,0]=4 22549 B9R1.15 CN1CCOC[C@H]1CO 34a_100000717676_200000210301 [1,0,0,1,0,0|2,0,0]=4 22550 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [1,0,0,1,0,0|1,0,0]=3 22551 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [1,0,0,1,0,0|1,0,0]=3 22552 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [1,0,0,1,0,0|1,0,0]=3 22553 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [1,0,0,1,0,0|1,0,0]=3 22554 B9R1.15 CNC1CCCCC1F 34a_100102657272_100015423560 [1,0,0,1,0,0|2,0,0]=4 22555 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [1,0,0,1,0,0|2,0,0]=4 22556 B9R1.15 CNC1CCNCC1C 270004a_106832991635_100000703950 [1,0,0,1,0,0|2,0,0]=4 22557 B9R1.15 CNC1CCOCC1C 270004a_106832991635_100000755695 [1,0,0,1,0,0|1,0,0]=3 22558 B9R1.15 CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200000210301 [1,0,0,1,0,0|2,0,0]=4 22559 B9R1.15 CN[C@@H]1CCCC[C@H]1F 34a_100015195156_200000210301 [1,0,0,1,0,0|2,0,0]=4 22560 B9R1.15 CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200000210301 [1,0,0,1,0,0|2,0,0]=4 22561 B9R1.15 CN[C@H]1CCOC[C@@H]1F 2230a_100016994078_200000210301 [1,0,0,1,0,0|2,0,0]=4 22562 B9R1.15 CN[C@H]1CCOC[C@@H]1F 34a_100016994078_200000210301 [1,0,0,1,0,0|2,0,0]=4 22563 B9R1.15 CN[C@H]1COCC[C@@H]1O 2230a_100015739063_200000210301 [1,0,0,1,0,0|2,0,0]=4 22564 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [1,0,0,1,0,0|1,0,0]=3 22565 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [1,0,0,1,0,0|1,0,0]=3 22566 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [1,0,0,1,0,0|2,0,0]=4 22567 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [1,0,0,1,0,0|2,0,0]=4 22568 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [1,0,0,1,0,0|2,0,0]=4 22569 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [1,0,0,1,0,0|2,0,0]=4 22570 B9R1.15 COC1CCNCC1C 34a_100011998114_200000210301 [1,0,0,1,0,0|2,0,0]=4 22571 B9R1.15 COC1CNCCC1C 34a_100000696640_200000210301 [1,0,0,1,0,0|2,0,0]=4 22572 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [1,0,0,1,0,0|2,0,0]=4 22573 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [1,0,0,1,0,0|2,0,0]=4 22574 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [1,0,0,1,0,0|2,0,0]=4 22575 B9R1.15 CO[C@H]1CCOC[C@@H]1N 34a_100015739063_200000210301 [1,0,0,1,0,0|2,0,0]=4 22576 B9R1.15 CO[C@H]1COCC[C@H]1N 34a_100016994285_200000210301 [1,0,0,1,0,0|2,0,0]=4 22577 B9R1.15 CSC1CCCCC1F 62a_100015423560_200000210301 [1,0,0,1,0,0|2,0,0]=4 22578 B9R1.15 CSC1CCCCC1F 62a_200000210301_100015423560 [1,0,0,1,0,0|2,0,0]=4 22579 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [1,0,0,1,0,0|2,0,0]=4 22580 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [1,0,0,1,0,0|2,0,0]=4 22581 B9R1.15 C[C@H]1COCCN1CF 269982a_100009815349_100015361967 [1,0,0,1,0,0|2,0,0]=4 22582 B9R1.15 C[C@H]1COCCN1CF 34a_100009815349_100015361967 [1,0,0,1,0,0|2,0,0]=4 22583 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [1,0,0,1,0,0|2,0,0]=4 22584 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [1,0,0,1,0,0|2,0,0]=4 22585 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [1,0,0,1,0,0|2,0,0]=4 22586 B9R1.15 [13CH3]N1CCOC[C@H]1CO 2230a_100000717676_200025704644 [1,0,0,1,0,0|2,0,0]=4 22587 B9R1.15 [13CH3]N1CCOC[C@H]1CO 269982a_100000717676_200025704644 [1,0,0,1,0,0|2,0,0]=4 22588 B9R1.15 [13CH3]N1CCOC[C@H]1CO 34a_100000717676_200025704644 [1,0,0,1,0,0|2,0,0]=4 22589 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 2230a_100015195156_200025704644 [1,0,0,1,0,0|2,0,0]=4 22590 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 34a_100015195156_200025704644 [1,0,0,1,0,0|2,0,0]=4 22591 B9R1.15 [13CH3]N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200025704644 [1,0,0,1,0,0|2,0,0]=4 22592 B9R1.15 [13CH3]N[C@H]1CCOC[C@@H]1F 2230a_100016994078_200025704644 [1,0,0,1,0,0|2,0,0]=4 22593 B9R1.15 [13CH3]N[C@H]1CCOC[C@@H]1F 34a_100016994078_200025704644 [1,0,0,1,0,0|2,0,0]=4 22594 B9R1.15 [13CH3]N[C@H]1COCC[C@@H]1O 2230a_100015739063_200025704644 [1,0,0,1,0,0|2,0,0]=4 22595 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [1,0,0,1,0,0|2,0,0]=4 22596 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [1,0,0,1,0,0|2,0,0]=4 22597 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [1,0,0,1,0,0|2,0,0]=4 22598 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [1,0,0,1,0,0|2,0,0]=4 22599 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [1,0,0,1,0,0|2,0,0]=4 22600 B9R1.15 [13CH3]O[C@H]1CCOC[C@@H]1N 34a_100015739063_200025704644 [1,0,0,1,0,0|2,0,0]=4 22601 B9R1.15 [13CH3]O[C@H]1COCC[C@H]1N 34a_100016994285_200025704644 [1,0,0,1,0,0|2,0,0]=4 22602 B9R1.15 [13CH3]SC1CCCCC1F 62a_100015423560_200025704644 [1,0,0,1,0,0|2,0,0]=4 22603 B9R1.15 [13CH3]SC1CCCCC1F 62a_200025704644_100015423560 [1,0,0,1,0,0|2,0,0]=4 22604 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [1,0,0,1,0,0|2,0,0]=4 22605 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [1,0,0,1,0,0|2,0,0]=4 22606 B9R1.16 C#CCOCC1CC1C 34a_100000744939_100000184674 [1,0,0,1,0,0|0,0,2]=4 22607 B9R1.16 C#CCOCC1CC1C 7a_100000744939_100000038162 [1,0,0,1,0,0|0,0,2]=4 22608 B9R1.16 C=CCOCC1CC1C 34a_100000744939_100015514636 [1,0,0,1,0,0|0,0,2]=4 22609 B9R1.16 C=CCOCC1CC1C 7a_100000744939_100015514636 [1,0,0,1,0,0|0,0,2]=4 22610 B9R1.16 CC1CC1COCC#N 7a_100000744939_100011215382 [1,0,0,1,0,0|1,0,1]=4 22611 B9R1.16 CC1CC1COCC=O 34a_100000744939_200009817547 [1,0,0,1,0,0|1,0,1]=4 22612 B9R1.16 CC1CC1COCC=O 7a_100000744939_200015260668 [1,0,0,1,0,0|1,0,1]=4 22613 B9R1.16 CC1CC1COCCF 34a_100000744939_100011217306 [1,0,0,1,0,0|1,0,0]=3 22614 B9R1.16 CC1CC1COCCF 7a_100000744939_100011217306 [1,0,0,1,0,0|1,0,0]=3 22615 B9R1.16 CC1CC1COCCO 34a_100000744939_100000211926 [1,0,0,1,0,0|1,0,0]=3 22616 B9R1.16 CC1CC1COCCO 7a_100000744939_100000211926 [1,0,0,1,0,0|1,0,0]=3 22617 B9R1.16 CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210211 [1,0,0,1,0,0|2,0,0]=4 22618 B9R1.16 CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210211 [1,0,0,1,0,0|2,0,0]=4 22619 B9R1.16 CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210210 [1,0,0,1,0,0|2,0,0]=4 22620 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [1,0,0,1,0,0|0,0,0]=2 22621 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [1,0,0,1,0,0|0,0,0]=2 22622 B9R1.16 CSCOCC1CC1C 34a_100000744939_100011218213 [1,0,0,1,0,0|1,0,0]=3 22623 B9R1.17 BrCCCOC1CCC1 34a_100011217188_100000749161 [1,0,0,1,0,0|1,0,0]=3 22624 B9R1.17 BrCCCOC1COC1 34a_100011217188_100009818527 [1,0,0,1,0,0|2,0,0]=4 22625 B9R1.17 BrCCOCC1CCC1 34a_100000211926_100000763275 [1,0,0,1,0,0|1,0,0]=3 22626 B9R1.17 BrCCOCC1CCO1 34a_100000211926_100000103362 [1,0,0,1,0,0|2,0,0]=4 22627 B9R1.17 BrCCOCC1COC1 34a_100000211926_100010264016 [1,0,0,1,0,0|2,0,0]=4 22628 B9R1.17 C#CCCOC1CCC1 34a_100000748187_100000688953 [1,0,0,1,0,0|0,0,2]=4 22629 B9R1.17 C#CCCOC1CCC1 34a_100011215631_100000749161 [1,0,0,1,0,0|0,0,2]=4 22630 B9R1.17 C#CCOCC1CCC1 34a_100000210247_100000763275 [1,0,0,1,0,0|0,0,2]=4 22631 B9R1.17 C#CCOCC1CCC1 34a_100000760304_100000184674 [1,0,0,1,0,0|0,0,2]=4 22632 B9R1.17 C/C=C/COC1CCC1 34a_100000748187_100102629194 [1,0,0,1,0,0|0,0,2]=4 22633 B9R1.17 C/C=C/COC1CCC1 34a_100016270725_100000749161 [1,0,0,1,0,0|0,0,2]=4 22634 B9R1.17 C=CCCOC1CCC1 34a_100000748187_100000754431 [1,0,0,1,0,0|0,0,2]=4 22635 B9R1.17 C=CCCOC1CCC1 34a_100011205117_100000749161 [1,0,0,1,0,0|0,0,2]=4 22636 B9R1.17 C=CCOCC1CCC1 34a_100000760304_100015514636 [1,0,0,1,0,0|0,0,2]=4 22637 B9R1.17 C=CCOCC1CCC1 34a_200000210373_100000763275 [1,0,0,1,0,0|0,0,2]=4 22638 B9R1.17 CC#CCOC1CCC1 34a_100000748187_100000748600 [1,0,0,1,0,0|0,0,2]=4 22639 B9R1.17 CC#CCOC1CCC1 34a_100000761923_100000749161 [1,0,0,1,0,0|0,0,2]=4 22640 B9R1.17 CC=CCOC1CCC1 34a_100000748187_100000070051 [1,0,0,1,0,0|0,0,2]=4 22641 B9R1.17 CCCCCN1CCC1 269982a_100000754969_100000210215 [1,0,0,1,0,0|1,0,0]=3 22642 B9R1.17 CCCCNC1CCC1 2230a_100000749019_100000210211 [1,0,0,1,0,0|1,0,0]=3 22643 B9R1.17 CCCCNC1CCC1 270004a_100000102301_100000241760 [1,0,0,1,0,0|1,0,0]=3 22644 B9R1.17 CCCCNC1CCC1 34a_100000749019_100000210210 [1,0,0,1,0,0|1,0,0]=3 22645 B9R1.17 CCCCNC1COC1 2230a_100016991112_100000210211 [1,0,0,1,0,0|2,0,0]=4 22646 B9R1.17 CCCCNC1COC1 7a_106832991798_100009818527 [1,0,0,1,0,0|2,0,0]=4 22647 B9R1.17 CCCCOC1CCC1 34a_100000210227_100000749161 [1,0,0,1,0,0|0,0,0]=2 22648 B9R1.17 CCCCOC1CCC1 34a_100000748187_100000210210 [1,0,0,1,0,0|0,0,0]=2 22649 B9R1.17 CCCCOC1COC1 34a_100000210227_100009818527 [1,0,0,1,0,0|1,0,0]=3 22650 B9R1.17 CCCCOC1COC1 7a_100000210227_100009818527 [1,0,0,1,0,0|1,0,0]=3 22651 B9R1.17 CCCCOC1CSC1 7a_100000072292_100000210211 [1,0,0,1,0,0|1,0,0]=3 22652 B9R1.17 CCCCSC1CCC1 62a_100000210211_100000749161 [1,0,0,1,0,0|0,1,0]=3 22653 B9R1.17 CCCCSC1COC1 62a_100000210211_100009818527 [1,0,0,1,0,0|1,1,0]=4 22654 B9R1.17 CCCNCC1CCC1 2230a_100000738700_100000210303 [1,0,0,1,0,0|1,0,0]=3 22655 B9R1.17 CCCNCC1CCC1 269862a_100020643023_100000753134 [1,0,0,1,0,0|1,0,0]=3 22656 B9R1.17 CCCNCC1CCC1 34a_100000738700_100000210303 [1,0,0,1,0,0|1,0,0]=3 22657 B9R1.17 CCCNCC1COC1 2230a_100015281925_100000210303 [1,0,0,1,0,0|2,0,0]=4 22658 B9R1.17 CCCNCC1COC1 34a_100015281925_100000210303 [1,0,0,1,0,0|2,0,0]=4 22659 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [1,0,0,1,0,0|2,0,0]=4 22660 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [1,0,0,1,0,0|2,0,0]=4 22661 B9R1.17 CCCOCC1CCC1 34a_100000210258_100000763275 [1,0,0,1,0,0|0,0,0]=2 22662 B9R1.17 CCCOCC1CCC1 34a_100000760304_100000210303 [1,0,0,1,0,0|0,0,0]=2 22663 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [1,0,0,1,0,0|1,0,0]=3 22664 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [1,0,0,1,0,0|1,0,0]=3 22665 B9R1.17 CCCOCC1CNC1 34a_100016987283_100000210303 [1,0,0,1,0,0|1,0,0]=3 22666 B9R1.17 CCCOCC1COC1 34a_100000060846_100000210303 [1,0,0,1,0,0|1,0,0]=3 22667 B9R1.17 CCCOCC1COC1 34a_100000210258_100010264016 [1,0,0,1,0,0|1,0,0]=3 22668 B9R1.17 CCCSCC1CCC1 62a_100000210303_100000763275 [1,0,0,1,0,0|0,1,0]=3 22669 B9R1.17 CCCSCC1CCC1 62a_100000763275_100000210303 [1,0,0,1,0,0|0,1,0]=3 22670 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [1,0,0,1,0,0|1,1,0]=4 22671 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [1,0,0,1,0,0|1,1,0]=4 22672 B9R1.17 CCCSCC1COC1 62a_100000210303_100010264016 [1,0,0,1,0,0|1,1,0]=4 22673 B9R1.17 CCCSCC1COC1 62a_100010264016_100000210303 [1,0,0,1,0,0|1,1,0]=4 22674 B9R1.17 CCOCCC1COC1 34a_100009855314_100000210202 [1,0,0,1,0,0|2,0,0]=4 22675 B9R1.17 CCOCCN1CCC1 269982a_100000754969_100011215890 [1,0,0,1,0,0|2,0,0]=4 22676 B9R1.17 CCOCSC1CCC1 62a_100000739092_100000749161 [1,0,0,1,0,0|1,1,0]=4 22677 B9R1.17 CCSCCN1CCC1 269982a_100000754969_100000757381 [1,0,0,1,0,0|2,0,0]=4 22678 B9R1.17 COCCCN1CCC1 269982a_100000754969_100000740836 [1,0,0,1,0,0|2,0,0]=4 22679 B9R1.17 COCCNC1CCC1 2230a_100000749019_100011201679 [1,0,0,1,0,0|2,0,0]=4 22680 B9R1.17 COCCNC1CCC1 270004a_100000209980_100000241760 [1,0,0,1,0,0|2,0,0]=4 22681 B9R1.17 COCCNC1CCC1 34a_100000749019_100011201679 [1,0,0,1,0,0|2,0,0]=4 22682 B9R1.17 COCCOC1CCC1 34a_100000210237_100000749161 [1,0,0,1,0,0|1,0,0]=3 22683 B9R1.17 COCCOC1CCC1 34a_100000748187_100011201679 [1,0,0,1,0,0|1,0,0]=3 22684 B9R1.17 COCCOC1COC1 34a_100000210237_100009818527 [1,0,0,1,0,0|2,0,0]=4 22685 B9R1.17 COCCOC1CSC1 7a_100000072292_100000233755 [1,0,0,1,0,0|2,0,0]=4 22686 B9R1.17 COCCSC1CCC1 62a_100000233755_100000749161 [1,0,0,1,0,0|1,1,0]=4 22687 B9R1.17 COCNCC1CCC1 2230a_100000738700_100000766300 [1,0,0,1,0,0|2,0,0]=4 22688 B9R1.17 COCSCC1CCC1 62a_100000763275_100000766300 [1,0,0,1,0,0|1,1,0]=4 22689 B9R1.17 COCSCC1CCC1 62a_100000766300_100000763275 [1,0,0,1,0,0|1,1,0]=4 22690 B9R1.17 CSCCNC1CCC1 2230a_100000749019_100000751147 [1,0,0,1,0,0|2,0,0]=4 22691 B9R1.17 CSCCNC1CCC1 270004a_100020590264_100000241760 [1,0,0,1,0,0|2,0,0]=4 22692 B9R1.17 CSCCNC1CCC1 34a_100000749019_100000212216 [1,0,0,1,0,0|2,0,0]=4 22693 B9R1.17 CSCCOC1CCC1 34a_100000230434_100000749161 [1,0,0,1,0,0|1,0,0]=3 22694 B9R1.17 CSCCOC1CCC1 34a_100000748187_100000212216 [1,0,0,1,0,0|1,0,0]=3 22695 B9R1.17 CSCCOC1COC1 34a_100000230434_100009818527 [1,0,0,1,0,0|2,0,0]=4 22696 B9R1.17 CSCCOC1COC1 7a_100000230434_100009818527 [1,0,0,1,0,0|2,0,0]=4 22697 B9R1.17 CSCCOC1CSC1 7a_100000072292_100000212216 [1,0,0,1,0,0|2,0,0]=4 22698 B9R1.17 CSCCSC1CCC1 62a_100000212216_100000749161 [1,0,0,1,0,0|1,1,0]=4 22699 B9R1.17 CSCNCC1CCC1 2230a_100000738700_100011218213 [1,0,0,1,0,0|2,0,0]=4 22700 B9R1.17 CSCNCC1CCC1 34a_100000738700_100011218213 [1,0,0,1,0,0|2,0,0]=4 22701 B9R1.17 CSCOCC1CCC1 34a_100000760304_100011218213 [1,0,0,1,0,0|1,0,0]=3 22702 B9R1.17 CSCOCC1CCO1 34a_100000039022_100011218213 [1,0,0,1,0,0|2,0,0]=4 22703 B9R1.17 CSCOCC1CNC1 34a_100016987283_100011218213 [1,0,0,1,0,0|2,0,0]=4 22704 B9R1.17 CSCOCC1COC1 34a_100000060846_100011218213 [1,0,0,1,0,0|2,0,0]=4 22705 B9R1.17 CSCSCC1CCC1 62a_100000763275_100011218213 [1,0,0,1,0,0|1,1,0]=4 22706 B9R1.17 CSCSCC1CCC1 62a_100011218213_100000763275 [1,0,0,1,0,0|1,1,0]=4 22707 B9R1.17 ClCCCOC1CCC1 34a_100000230001_100000749161 [1,0,0,1,0,0|1,0,0]=3 22708 B9R1.17 ClCCCOC1COC1 34a_100000230001_100009818527 [1,0,0,1,0,0|2,0,0]=4 22709 B9R1.17 FCCCCN1CCC1 269982a_100000754969_100000729493 [1,0,0,1,0,0|2,0,0]=4 22710 B9R1.17 FCCCNC1CCC1 2230a_100000749019_100011934791 [1,0,0,1,0,0|2,0,0]=4 22711 B9R1.17 FCCCNC1CCC1 270004a_100015189416_100000241760 [1,0,0,1,0,0|2,0,0]=4 22712 B9R1.17 FCCCNC1CCC1 34a_100000749019_100011934791 [1,0,0,1,0,0|2,0,0]=4 22713 B9R1.17 FCCCNC1CCC1 34a_100015189416_100000749161 [1,0,0,1,0,0|2,0,0]=4 22714 B9R1.17 FCCCOC1CCC1 34a_100000748187_100011934791 [1,0,0,1,0,0|1,0,0]=3 22715 B9R1.17 FCCCOC1CCC1 34a_100000759539_100000749161 [1,0,0,1,0,0|1,0,0]=3 22716 B9R1.17 FCCCOC1COC1 34a_100000759539_100009818527 [1,0,0,1,0,0|2,0,0]=4 22717 B9R1.17 FCCCOC1CSC1 7a_100000072292_100011934791 [1,0,0,1,0,0|2,0,0]=4 22718 B9R1.17 FCCCSC1CCC1 62a_100011934791_100000749161 [1,0,0,1,0,0|1,1,0]=4 22719 B9R1.17 FCCNCC1CCC1 2230a_100000738700_100011217306 [1,0,0,1,0,0|2,0,0]=4 22720 B9R1.17 FCCNCC1CCC1 269862a_100000724931_100000753134 [1,0,0,1,0,0|2,0,0]=4 22721 B9R1.17 FCCNCC1CCC1 34a_100000724931_100000763275 [1,0,0,1,0,0|2,0,0]=4 22722 B9R1.17 FCCNCC1CCC1 34a_100000738700_100011217306 [1,0,0,1,0,0|2,0,0]=4 22723 B9R1.17 FCCOCC1CCC1 34a_100000760304_100011217306 [1,0,0,1,0,0|1,0,0]=3 22724 B9R1.17 FCCOCC1CCO1 34a_100000039022_100011217306 [1,0,0,1,0,0|2,0,0]=4 22725 B9R1.17 FCCOCC1CNC1 34a_100016987283_100011217306 [1,0,0,1,0,0|2,0,0]=4 22726 B9R1.17 FCCOCC1COC1 34a_100000060846_100011217306 [1,0,0,1,0,0|2,0,0]=4 22727 B9R1.17 FCCSCC1CCC1 62a_100000763275_100011217306 [1,0,0,1,0,0|1,1,0]=4 22728 B9R1.17 FCCSCC1CCC1 62a_100011217306_100000763275 [1,0,0,1,0,0|1,1,0]=4 22729 B9R1.17 NCCCOC1CCC1 34a_100000182051_100000749161 [1,0,0,1,0,0|1,0,0]=3 22730 B9R1.17 NCCCOC1COC1 34a_100000182051_100009818527 [1,0,0,1,0,0|2,0,0]=4 22731 B9R1.17 NCCOCC1CCC1 34a_100000210304_100000763275 [1,0,0,1,0,0|1,0,0]=3 22732 B9R1.17 NCCOCC1CCO1 34a_100000210304_100000103362 [1,0,0,1,0,0|2,0,0]=4 22733 B9R1.17 NCCOCC1COC1 34a_100000210304_100010264016 [1,0,0,1,0,0|2,0,0]=4 22734 B9R1.17 NOCCOC1CCC1 34a_100000700252_100000749161 [1,0,0,1,0,0|2,0,0]=4 22735 B9R1.17 O=CCOCC1CCC1 34a_100000760304_200009817547 [1,0,0,1,0,0|1,0,1]=4 22736 B9R1.17 OCCCCN1CCC1 269982a_100000754969_100000210776 [1,0,0,1,0,0|2,0,0]=4 22737 B9R1.17 OCCCNC1CCC1 2230a_100000749019_100000230001 [1,0,0,1,0,0|2,0,0]=4 22738 B9R1.17 OCCCNC1CCC1 270004a_100000182051_100000241760 [1,0,0,1,0,0|2,0,0]=4 22739 B9R1.17 OCCCNC1CCC1 34a_100000749019_100000230001 [1,0,0,1,0,0|2,0,0]=4 22740 B9R1.17 OCCCOC1CCC1 34a_100000748187_100000230001 [1,0,0,1,0,0|1,0,0]=3 22741 B9R1.17 OCCCOC1CSC1 7a_100000072292_100011215043 [1,0,0,1,0,0|2,0,0]=4 22742 B9R1.17 OCCCSC1CCC1 62a_100011215043_100000749161 [1,0,0,1,0,0|1,1,0]=4 22743 B9R1.17 OCCNCC1CCC1 2230a_100000738700_100000211926 [1,0,0,1,0,0|2,0,0]=4 22744 B9R1.17 OCCNCC1CCC1 2230a_100016997473_100000763275 [1,0,0,1,0,0|2,0,0]=4 22745 B9R1.17 OCCNCC1CCC1 269862a_100000210304_100000753134 [1,0,0,1,0,0|2,0,0]=4 22746 B9R1.17 OCCNCC1CCC1 34a_100000738700_100000211926 [1,0,0,1,0,0|2,0,0]=4 22747 B9R1.17 OCCNCC1CCC1 34a_100016990907_100000763275 [1,0,0,1,0,0|2,0,0]=4 22748 B9R1.17 OCCOCC1CCC1 34a_100000760304_100000211926 [1,0,0,1,0,0|1,0,0]=3 22749 B9R1.17 OCCOCC1CCO1 34a_100000039022_100000211926 [1,0,0,1,0,0|2,0,0]=4 22750 B9R1.17 OCCOCC1CNC1 34a_100016987283_100000211926 [1,0,0,1,0,0|2,0,0]=4 22751 B9R1.17 OCCOCC1COC1 34a_100000060846_100000211926 [1,0,0,1,0,0|2,0,0]=4 22752 B9R1.17 OCCSCC1CCC1 62a_100000211926_100000763275 [1,0,0,1,0,0|1,1,0]=4 22753 B9R1.17 OCCSCC1CCC1 62a_100000763275_100000211926 [1,0,0,1,0,0|1,1,0]=4 22754 B9R1.33 CC1CCCC1OCF 34a_100011216460_100015361967 [1,0,0,1,0,0|2,0,0]=4 22755 B9R1.33 CC1CCCC1OCF 7a_100011216460_100015361967 [1,0,0,1,0,0|2,0,0]=4 22756 B9R1.33 CCCN1CCC[C@@H]1C 2230a_100020605311_100000210303 [1,0,0,1,0,0|1,0,0]=3 22757 B9R1.33 CCCN1CCC[C@@H]1C 269982a_100020605311_100000210303 [1,0,0,1,0,0|1,0,0]=3 22758 B9R1.33 CCCN1CCC[C@H]1C 2230a_100015189458_100000210303 [1,0,0,1,0,0|1,0,0]=3 22759 B9R1.33 CCCN1CCC[C@H]1C 269982a_100015189458_100000210303 [1,0,0,1,0,0|1,0,0]=3 22760 B9R1.33 CCCN1CCC[C@H]1C 34a_100015189458_100000210303 [1,0,0,1,0,0|1,0,0]=3 22761 B9R1.33 CCCN1CCSC1C 2230a_200011216479_100000210303 [1,0,0,1,0,0|2,0,0]=4 22762 B9R1.33 CCCN1CCSC1C 269982a_200011216479_100000210303 [1,0,0,1,0,0|2,0,0]=4 22763 B9R1.33 CCCN1CCSC1C 34a_200011216479_100000210303 [1,0,0,1,0,0|2,0,0]=4 22764 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [1,0,0,1,0,0|1,0,0]=3 22765 B9R1.33 CCNC1CCOC1C 270004a_100015525214_100000691750 [1,0,0,1,0,0|2,0,0]=4 22766 B9R1.33 CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210202 [1,0,0,1,0,0|2,0,0]=4 22767 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [1,0,0,1,0,0|1,0,0]=3 22768 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [1,0,0,1,0,0|1,0,0]=3 22769 B9R1.33 CCOC1COCC1O 34a_100121572206_200000725654 [1,0,0,1,0,0|2,0,0]=4 22770 B9R1.33 CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210202 [1,0,0,1,0,0|2,0,0]=4 22771 B9R1.33 CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210202 [1,0,0,1,0,0|2,0,0]=4 22772 B9R1.33 CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210202 [1,0,0,1,0,0|2,0,0]=4 22773 B9R1.33 CCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210202 [1,0,0,1,0,0|2,0,0]=4 22774 B9R1.33 CCSC1COCC1O 62a_100000210202_200000725654 [1,0,0,1,0,0|2,0,0]=4 22775 B9R1.33 CCSC1COCC1O 62a_200000725654_100000210202 [1,0,0,1,0,0|2,0,0]=4 22776 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [1,0,0,1,0,0|2,0,0]=4 22777 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [1,0,0,1,0,0|2,0,0]=4 22778 B9R1.33 CN1CCCC1CO[13CH3] 34a_100000743107_200025704644 [1,0,0,1,0,0|2,0,0]=4 22779 B9R1.33 COCC1CCCN1C 34a_100000743107_200000210301 [1,0,0,1,0,0|2,0,0]=4 22780 B9R1.33 COCN1CCC[C@@H]1C 2230a_100020605311_100000766300 [1,0,0,1,0,0|2,0,0]=4 22781 B9R1.33 COCN1CCC[C@@H]1C 269982a_100020605311_100000766300 [1,0,0,1,0,0|2,0,0]=4 22782 B9R1.33 COCN1CCC[C@H]1C 2230a_100015189458_100000766300 [1,0,0,1,0,0|2,0,0]=4 22783 B9R1.33 COCN1CCC[C@H]1C 269982a_100015189458_100000766300 [1,0,0,1,0,0|2,0,0]=4 22784 B9R1.33 COC[C@@H]1CCCN1C 2230a_100020646714_200000210301 [1,0,0,1,0,0|2,0,0]=4 22785 B9R1.33 COC[C@@H]1CCCN1C 269982a_100020646714_200000210301 [1,0,0,1,0,0|2,0,0]=4 22786 B9R1.33 COC[C@@H]1CCCN1C 34a_100020646714_200000210301 [1,0,0,1,0,0|2,0,0]=4 22787 B9R1.33 COC[C@@H]1CCCN1[13CH3] 2230a_100020646714_200025704644 [1,0,0,1,0,0|2,0,0]=4 22788 B9R1.33 COC[C@@H]1CCCN1[13CH3] 269982a_100020646714_200025704644 [1,0,0,1,0,0|2,0,0]=4 22789 B9R1.33 COC[C@@H]1CCCN1[13CH3] 34a_100020646714_200025704644 [1,0,0,1,0,0|2,0,0]=4 22790 B9R1.33 CSCN1CCC[C@@H]1C 2230a_100020605311_100011218213 [1,0,0,1,0,0|2,0,0]=4 22791 B9R1.33 CSCN1CCC[C@@H]1C 269982a_100020605311_100011218213 [1,0,0,1,0,0|2,0,0]=4 22792 B9R1.33 CSCN1CCC[C@H]1C 2230a_100015189458_100011218213 [1,0,0,1,0,0|2,0,0]=4 22793 B9R1.33 CSCN1CCC[C@H]1C 269982a_100015189458_100011218213 [1,0,0,1,0,0|2,0,0]=4 22794 B9R1.33 CSCN1CCC[C@H]1C 34a_100015189458_100011218213 [1,0,0,1,0,0|2,0,0]=4 22795 B9R1.33 C[C@@H]1CCCN1CCF 2230a_100015189458_100011217306 [1,0,0,1,0,0|2,0,0]=4 22796 B9R1.33 C[C@@H]1CCCN1CCF 269982a_100015189458_100011217306 [1,0,0,1,0,0|2,0,0]=4 22797 B9R1.33 C[C@@H]1CCCN1CCF 34a_100015189458_100011217306 [1,0,0,1,0,0|2,0,0]=4 22798 B9R1.33 C[C@@H]1CCCN1CCO 2230a_100015189458_100000211926 [1,0,0,1,0,0|2,0,0]=4 22799 B9R1.33 C[C@@H]1CCCN1CCO 269982a_100015189458_100000211926 [1,0,0,1,0,0|2,0,0]=4 22800 B9R1.33 C[C@@H]1CCCN1CCO 34a_100015189458_100000211926 [1,0,0,1,0,0|2,0,0]=4 22801 B9R1.33 C[C@H]1CCCN1CCF 2230a_100020605311_100011217306 [1,0,0,1,0,0|2,0,0]=4 22802 B9R1.33 C[C@H]1CCCN1CCF 269982a_100020605311_100011217306 [1,0,0,1,0,0|2,0,0]=4 22803 B9R1.33 C[C@H]1CCCN1CCO 2230a_100020605311_100000211926 [1,0,0,1,0,0|2,0,0]=4 22804 B9R1.33 C[C@H]1CCCN1CCO 269982a_100020605311_100000211926 [1,0,0,1,0,0|2,0,0]=4 22805 B9R1.39 CC1CCN1CCCF 269982a_100000755817_100011934791 [1,0,0,1,0,0|2,0,0]=4 22806 B9R1.39 CC1CCN1CCCF 34a_100000755817_100011934791 [1,0,0,1,0,0|2,0,0]=4 22807 B9R1.39 CC1CCN1CCCO 269982a_100000755817_100011215043 [1,0,0,1,0,0|2,0,0]=4 22808 B9R1.39 CC1CCN1CCCO 34a_100000755817_100000230001 [1,0,0,1,0,0|2,0,0]=4 22809 B9R1.39 CCCCN1CCC1C 269982a_100000755817_100000210211 [1,0,0,1,0,0|1,0,0]=3 22810 B9R1.39 CCCCN1CCC1C 34a_100000755817_100000210210 [1,0,0,1,0,0|1,0,0]=3 22811 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [1,0,0,1,0,0|1,0,1]=4 22812 B9R1.39 CCOCN1CCC1C 269982a_100000755817_100000739092 [1,0,0,1,0,0|2,0,0]=4 22813 B9R1.39 COCCN1CCC1C 269982a_100000755817_100000233755 [1,0,0,1,0,0|2,0,0]=4 22814 B9R1.39 COCCN1CCC1C 34a_100000755817_100011201679 [1,0,0,1,0,0|2,0,0]=4 22815 B9R1.39 CSCCN1CCC1C 269982a_100000755817_100000212216 [1,0,0,1,0,0|2,0,0]=4 22816 B9R1.39 CSCCN1CCC1C 34a_100000755817_100000212216 [1,0,0,1,0,0|2,0,0]=4 22817 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [1,0,0,1,0,0|1,0,0]=3 22818 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [1,0,0,1,0,0|1,0,0]=3 22819 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [1,0,0,1,0,0|1,0,0]=3 22820 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [1,0,0,1,0,0|1,0,0]=3 22821 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [1,0,0,1,0,0|1,0,0]=3 22822 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [1,0,0,1,0,0|1,0,0]=3 22823 B9R1.83 BrCCCCOC1CC1 34a_100011216708_100000211595 [1,0,0,1,0,0|1,0,0]=3 22824 B9R1.83 BrCCCOCC1CC1 34a_100011217188_100000742324 [1,0,0,1,0,0|1,0,0]=3 22825 B9R1.83 BrCCCOCC1CO1 34a_100011217188_102125554688 [1,0,0,1,0,0|2,0,0]=4 22826 B9R1.83 BrCCOCCC1CC1 34a_100000211926_100000694398 [1,0,0,1,0,0|1,0,0]=3 22827 B9R1.83 BrCCOCCC1CO1 34a_100000211926_100000732470 [1,0,0,1,0,0|2,0,0]=4 22828 B9R1.83 C#CCCCOC1CC1 34a_100000215630_100000211595 [1,0,0,1,0,0|0,0,2]=4 22829 B9R1.83 C#CCCOCC1CC1 34a_100000211283_100000688953 [1,0,0,1,0,0|0,0,2]=4 22830 B9R1.83 C#CCCOCC1CC1 34a_100011215631_100000742324 [1,0,0,1,0,0|0,0,2]=4 22831 B9R1.83 C#CCOCCC1CC1 34a_100000210247_100000694398 [1,0,0,1,0,0|0,0,2]=4 22832 B9R1.83 C#CCOCCC1CC1 34a_100000754188_100000184674 [1,0,0,1,0,0|0,0,2]=4 22833 B9R1.83 C#CCOCCC1CC1 7a_100000754188_100000038162 [1,0,0,1,0,0|0,0,2]=4 22834 B9R1.83 C/C=C/CCOC1CC1 34a_100016278192_100000211595 [1,0,0,1,0,0|0,0,2]=4 22835 B9R1.83 C/C=C/COCC1CC1 34a_100000211283_100102629194 [1,0,0,1,0,0|0,0,2]=4 22836 B9R1.83 C/C=C/COCC1CC1 34a_100016270725_100000742324 [1,0,0,1,0,0|0,0,2]=4 22837 B9R1.83 C=CCCCOC1CC1 34a_100000758997_100000211595 [1,0,0,1,0,0|0,0,2]=4 22838 B9R1.83 C=CCCOCC1CC1 34a_100000211283_100000754431 [1,0,0,1,0,0|0,0,2]=4 22839 B9R1.83 C=CCCOCC1CC1 34a_100011205117_100000742324 [1,0,0,1,0,0|0,0,2]=4 22840 B9R1.83 C=CCOCCC1CC1 34a_100000754188_100015514636 [1,0,0,1,0,0|0,0,2]=4 22841 B9R1.83 C=CCOCCC1CC1 34a_200000210373_100000694398 [1,0,0,1,0,0|0,0,2]=4 22842 B9R1.83 C=CCOCCC1CC1 7a_100000754188_100015514636 [1,0,0,1,0,0|0,0,2]=4 22843 B9R1.83 CC#CCCOC1CC1 34a_100000750427_100000211595 [1,0,0,1,0,0|0,0,2]=4 22844 B9R1.83 CC#CCOCC1CC1 34a_100000211283_100000748600 [1,0,0,1,0,0|0,0,2]=4 22845 B9R1.83 CC#CCOCC1CC1 34a_100000761923_100000742324 [1,0,0,1,0,0|0,0,2]=4 22846 B9R1.83 CC/C=C\COC1CC1 34a_100016268518_100000211595 [1,0,0,1,0,0|0,0,2]=4 22847 B9R1.83 CC=CCOCC1CC1 34a_100000211283_100000070051 [1,0,0,1,0,0|0,0,2]=4 22848 B9R1.83 CCC#CCOC1CC1 34a_100000032950_100000211595 [1,0,0,1,0,0|0,0,2]=4 22849 B9R1.83 CCCCCNC1CC1 34a_100000212008_100000718602 [1,0,0,1,0,0|1,0,0]=3 22850 B9R1.83 CCCCCOC1CC1 34a_100000210253_100000211595 [1,0,0,1,0,0|0,0,0]=2 22851 B9R1.83 CCCCCSC1CC1 62a_100000210326_100000211595 [1,0,0,1,0,0|0,1,0]=3 22852 B9R1.83 CCCCNCC1CC1 2230a_100000102301_100000742324 [1,0,0,1,0,0|1,0,0]=3 22853 B9R1.83 CCCCNCC1CC1 2230a_100000735609_100000210211 [1,0,0,1,0,0|1,0,0]=3 22854 B9R1.83 CCCCNCC1CC1 269862a_100000102301_100000741477 [1,0,0,1,0,0|1,0,0]=3 22855 B9R1.83 CCCCNCC1CC1 34a_100000735609_100000210210 [1,0,0,1,0,0|1,0,0]=3 22856 B9R1.83 CCCCNCC1CC1 7a_106832991798_100000742324 [1,0,0,1,0,0|1,0,0]=3 22857 B9R1.83 CCCCNCC1CO1 2230a_100000102301_100011216344 [1,0,0,1,0,0|2,0,0]=4 22858 B9R1.83 CCCCNCC1CO1 7a_106832991798_102125554688 [1,0,0,1,0,0|2,0,0]=4 22859 B9R1.83 CCCCNCC1CS1 7a_106832991798_100000031435 [1,0,0,1,0,0|2,0,0]=4 22860 B9R1.83 CCCCNC[C@@H]1CO1 7a_106832991798_100000745022 [1,0,0,1,0,0|2,0,0]=4 22861 B9R1.83 CCCCOCC1CC1 34a_100000210227_100000742324 [1,0,0,1,0,0|0,0,0]=2 22862 B9R1.83 CCCCOCC1CC1 34a_100000211283_100000210210 [1,0,0,1,0,0|0,0,0]=2 22863 B9R1.83 CCCCOCC1CC1 7a_100000210227_100000742324 [1,0,0,1,0,0|0,0,0]=2 22864 B9R1.83 CCCCOCC1CO1 34a_100000210227_102125554688 [1,0,0,1,0,0|1,0,0]=3 22865 B9R1.83 CCCCOCC1CO1 7a_100000210227_102125554688 [1,0,0,1,0,0|1,0,0]=3 22866 B9R1.83 CCCCOCC1CS1 7a_100000210227_100000031435 [1,0,0,1,0,0|1,0,0]=3 22867 B9R1.83 CCCCOC[C@@H]1CO1 34a_100000757423_100000210210 [1,0,0,1,0,0|1,0,0]=3 22868 B9R1.83 CCCCOC[C@@H]1CO1 7a_100000210227_100000745022 [1,0,0,1,0,0|1,0,0]=3 22869 B9R1.83 CCCCSCC1CC1 62a_100000210211_100000742324 [1,0,0,1,0,0|0,1,0]=3 22870 B9R1.83 CCCCSCC1CC1 62a_100000756562_100000210210 [1,0,0,1,0,0|0,1,0]=3 22871 B9R1.83 CCCCSCC1CO1 62a_100000210211_102125554688 [1,0,0,1,0,0|1,1,0]=4 22872 B9R1.83 CCCCSCC1CO1 62a_102125554688_100000210210 [1,0,0,1,0,0|1,1,0]=4 22873 B9R1.83 CCCCSCC1CS1 62a_100000031435_100000210210 [1,0,0,1,0,0|1,1,0]=4 22874 B9R1.83 CCCCSCC1CS1 62a_100000210211_100000031435 [1,0,0,1,0,0|1,1,0]=4 22875 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000210211_100000745022 [1,0,0,1,0,0|1,1,0]=4 22876 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000745022_100000210210 [1,0,0,1,0,0|1,1,0]=4 22877 B9R1.83 CCCNCCC1CC1 34a_100000764129_100000210303 [1,0,0,1,0,0|1,0,0]=3 22878 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [1,0,0,1,0,0|0,0,0]=2 22879 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [1,0,0,1,0,0|0,0,0]=2 22880 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [1,0,0,1,0,0|0,0,0]=2 22881 B9R1.83 CCCOCCC1CO1 34a_100000210258_100000732470 [1,0,0,1,0,0|1,0,0]=3 22882 B9R1.83 CCCOCC[C@@H]1CO1 34a_100009820653_100000210303 [1,0,0,1,0,0|1,0,0]=3 22883 B9R1.83 CCCSCCC1CC1 62a_100000210303_100000764125 [1,0,0,1,0,0|0,1,0]=3 22884 B9R1.83 CCCSCCC1CC1 62a_100000764125_100000210303 [1,0,0,1,0,0|0,1,0]=3 22885 B9R1.83 CCCSCCC1CO1 62a_100000210303_100000732470 [1,0,0,1,0,0|1,1,0]=4 22886 B9R1.83 CCCSCCC1CO1 62a_100000732470_100000210303 [1,0,0,1,0,0|1,1,0]=4 22887 B9R1.83 CCNCCCC1CO1 2230a_100015525214_100000733510 [1,0,0,1,0,0|2,0,0]=4 22888 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [1,0,0,1,0,0|2,0,0]=4 22889 B9R1.83 CCOCCNC1CC1 34a_100000212008_100000210147 [1,0,0,1,0,0|2,0,0]=4 22890 B9R1.83 CCOCCNC1CC1 34a_100000738766_100000210202 [1,0,0,1,0,0|2,0,0]=4 22891 B9R1.83 CCOCCNC1CC1 34a_102516460346_100000211595 [1,0,0,1,0,0|2,0,0]=4 22892 B9R1.83 CCOCCOC1CC1 34a_100000210136_100000211595 [1,0,0,1,0,0|1,0,0]=3 22893 B9R1.83 CCOCCSC1CC1 62a_100000210147_100000211595 [1,0,0,1,0,0|1,1,0]=4 22894 B9R1.83 CCOCSCC1CC1 62a_100000739092_100000742324 [1,0,0,1,0,0|1,1,0]=4 22895 B9R1.83 CCOCSCC1CC1 62a_100000756562_100000739092 [1,0,0,1,0,0|1,1,0]=4 22896 B9R1.83 CCSCCCC1CO1 62a_100000210202_100000733510 [1,0,0,1,0,0|2,0,0]=4 22897 B9R1.83 CCSCCCC1CO1 62a_100000733510_100000210202 [1,0,0,1,0,0|2,0,0]=4 22898 B9R1.83 CCSCCNC1CC1 34a_100000212008_100000757381 [1,0,0,1,0,0|2,0,0]=4 22899 B9R1.83 CCSCCOC1CC1 34a_100000212035_100000211595 [1,0,0,1,0,0|1,0,0]=3 22900 B9R1.83 CCSCCSC1CC1 62a_100000757381_100000211595 [1,0,0,1,0,0|1,1,0]=4 22901 B9R1.83 CNCCCOC1CC1 34a_100000213112_100000211595 [1,0,0,1,0,0|1,0,0]=3 22902 B9R1.83 COCCCNC1CC1 34a_100000212008_100000740836 [1,0,0,1,0,0|2,0,0]=4 22903 B9R1.83 COCCCNC1CC1 34a_100150723488_100000211595 [1,0,0,1,0,0|2,0,0]=4 22904 B9R1.83 COCCCOC1CC1 34a_100000740835_100000211595 [1,0,0,1,0,0|1,0,0]=3 22905 B9R1.83 COCCCSC1CC1 62a_100000709357_100000211595 [1,0,0,1,0,0|1,1,0]=4 22906 B9R1.83 COCCNCC1CC1 2230a_100000209980_100000742324 [1,0,0,1,0,0|2,0,0]=4 22907 B9R1.83 COCCNCC1CC1 2230a_100000735609_100011201679 [1,0,0,1,0,0|2,0,0]=4 22908 B9R1.83 COCCNCC1CC1 269862a_100000209980_100000741477 [1,0,0,1,0,0|2,0,0]=4 22909 B9R1.83 COCCNCC1CC1 34a_100000735609_100011201679 [1,0,0,1,0,0|2,0,0]=4 22910 B9R1.83 COCCOCC1CC1 34a_100000210237_100000742324 [1,0,0,1,0,0|1,0,0]=3 22911 B9R1.83 COCCOCC1CC1 34a_100000211283_100011201679 [1,0,0,1,0,0|1,0,0]=3 22912 B9R1.83 COCCOCC1CO1 34a_100000210237_102125554688 [1,0,0,1,0,0|2,0,0]=4 22913 B9R1.83 COCCOC[C@@H]1CO1 34a_100000757423_100011201679 [1,0,0,1,0,0|2,0,0]=4 22914 B9R1.83 COCCSCC1CC1 62a_100000233755_100000742324 [1,0,0,1,0,0|1,1,0]=4 22915 B9R1.83 COCCSCC1CC1 62a_100000756562_100000233755 [1,0,0,1,0,0|1,1,0]=4 22916 B9R1.83 COCSCCC1CC1 62a_100000764125_100000766300 [1,0,0,1,0,0|1,1,0]=4 22917 B9R1.83 COCSCCC1CC1 62a_100000766300_100000764125 [1,0,0,1,0,0|1,1,0]=4 22918 B9R1.83 CSCCCOC1CC1 34a_100000690336_100000211595 [1,0,0,1,0,0|1,0,0]=3 22919 B9R1.83 CSCCNCC1CC1 2230a_100000735609_100000751147 [1,0,0,1,0,0|2,0,0]=4 22920 B9R1.83 CSCCNCC1CC1 2230a_100020590264_100000742324 [1,0,0,1,0,0|2,0,0]=4 22921 B9R1.83 CSCCNCC1CC1 269862a_100020590264_100000741477 [1,0,0,1,0,0|2,0,0]=4 22922 B9R1.83 CSCCNCC1CC1 34a_100000735609_100000212216 [1,0,0,1,0,0|2,0,0]=4 22923 B9R1.83 CSCCOCC1CC1 34a_100000211283_100000212216 [1,0,0,1,0,0|1,0,0]=3 22924 B9R1.83 CSCCOCC1CC1 34a_100000230434_100000742324 [1,0,0,1,0,0|1,0,0]=3 22925 B9R1.83 CSCCOCC1CC1 7a_100000230434_100000742324 [1,0,0,1,0,0|1,0,0]=3 22926 B9R1.83 CSCCOCC1CO1 34a_100000230434_102125554688 [1,0,0,1,0,0|2,0,0]=4 22927 B9R1.83 CSCCOCC1CO1 7a_100000230434_102125554688 [1,0,0,1,0,0|2,0,0]=4 22928 B9R1.83 CSCCOCC1CS1 7a_100000230434_100000031435 [1,0,0,1,0,0|2,0,0]=4 22929 B9R1.83 CSCCOC[C@@H]1CO1 34a_100000757423_100000212216 [1,0,0,1,0,0|2,0,0]=4 22930 B9R1.83 CSCCOC[C@@H]1CO1 7a_100000230434_100000745022 [1,0,0,1,0,0|2,0,0]=4 22931 B9R1.83 CSCCSCC1CC1 62a_100000212216_100000742324 [1,0,0,1,0,0|1,1,0]=4 22932 B9R1.83 CSCCSCC1CC1 62a_100000756562_100000751147 [1,0,0,1,0,0|1,1,0]=4 22933 B9R1.83 CSCNCCC1CC1 34a_100000764129_100011218213 [1,0,0,1,0,0|2,0,0]=4 22934 B9R1.83 CSCOCCC1CC1 34a_100000754188_100011218213 [1,0,0,1,0,0|1,0,0]=3 22935 B9R1.83 CSCOCC[C@@H]1CO1 34a_100009820653_100011218213 [1,0,0,1,0,0|2,0,0]=4 22936 B9R1.83 CSCSCCC1CC1 62a_100000764125_100011218213 [1,0,0,1,0,0|1,1,0]=4 22937 B9R1.83 CSCSCCC1CC1 62a_100011218213_100000764125 [1,0,0,1,0,0|1,1,0]=4 22938 B9R1.83 ClCCCCOC1CC1 34a_100000210776_100000211595 [1,0,0,1,0,0|1,0,0]=3 22939 B9R1.83 ClCCCOCC1CC1 34a_100000230001_100000742324 [1,0,0,1,0,0|1,0,0]=3 22940 B9R1.83 ClCCCOCC1CO1 34a_100000230001_102125554688 [1,0,0,1,0,0|2,0,0]=4 22941 B9R1.83 FCCCCNC1CC1 34a_100000212008_100000729493 [1,0,0,1,0,0|2,0,0]=4 22942 B9R1.83 FCCCCOC1CC1 34a_100011995726_100000211595 [1,0,0,1,0,0|1,0,0]=3 22943 B9R1.83 FCCCCSC1CC1 62a_100000729493_100000211595 [1,0,0,1,0,0|1,1,0]=4 22944 B9R1.83 FCCCNCC1CC1 2230a_100000735609_100011934791 [1,0,0,1,0,0|2,0,0]=4 22945 B9R1.83 FCCCNCC1CC1 2230a_100015189416_100000742324 [1,0,0,1,0,0|2,0,0]=4 22946 B9R1.83 FCCCNCC1CC1 269862a_100015189416_100000741477 [1,0,0,1,0,0|2,0,0]=4 22947 B9R1.83 FCCCNCC1CC1 34a_100000735609_100011934791 [1,0,0,1,0,0|2,0,0]=4 22948 B9R1.83 FCCCNCC1CC1 34a_100015189416_100000742324 [1,0,0,1,0,0|2,0,0]=4 22949 B9R1.83 FCCCOCC1CC1 34a_100000211283_100011934791 [1,0,0,1,0,0|1,0,0]=3 22950 B9R1.83 FCCCOCC1CC1 34a_100000759539_100000742324 [1,0,0,1,0,0|1,0,0]=3 22951 B9R1.83 FCCCOCC1CO1 34a_100000759539_102125554688 [1,0,0,1,0,0|2,0,0]=4 22952 B9R1.83 FCCCOC[C@@H]1CO1 34a_100000757423_100011934791 [1,0,0,1,0,0|2,0,0]=4 22953 B9R1.83 FCCCSCC1CC1 62a_100000756562_100011934791 [1,0,0,1,0,0|1,1,0]=4 22954 B9R1.83 FCCCSCC1CC1 62a_100011934791_100000742324 [1,0,0,1,0,0|1,1,0]=4 22955 B9R1.83 FCCNCCC1CC1 34a_100000724931_100000694398 [1,0,0,1,0,0|2,0,0]=4 22956 B9R1.83 FCCNCCC1CC1 34a_100000764129_100011217306 [1,0,0,1,0,0|2,0,0]=4 22957 B9R1.83 FCCOCCC1CC1 34a_100000754188_100011217306 [1,0,0,1,0,0|1,0,0]=3 22958 B9R1.83 FCCOCCC1CC1 7a_100000754188_100011217306 [1,0,0,1,0,0|1,0,0]=3 22959 B9R1.83 FCCOCC[C@@H]1CO1 34a_100009820653_100011217306 [1,0,0,1,0,0|2,0,0]=4 22960 B9R1.83 FCCSCCC1CC1 62a_100000764125_100011217306 [1,0,0,1,0,0|1,1,0]=4 22961 B9R1.83 FCCSCCC1CC1 62a_100011217306_100000764125 [1,0,0,1,0,0|1,1,0]=4 22962 B9R1.83 ICCCCOC1CC1 34a_200012148704_100000211595 [1,0,0,1,0,0|1,0,0]=3 22963 B9R1.83 N#CCOCCC1CC1 7a_100000754188_100011215382 [1,0,0,1,0,0|1,0,1]=4 22964 B9R1.83 NCCCCOC1CC1 34a_100000750430_100000211595 [1,0,0,1,0,0|1,0,0]=3 22965 B9R1.83 NCCCOCC1CC1 34a_100000182051_100000742324 [1,0,0,1,0,0|1,0,0]=3 22966 B9R1.83 NCCCOCC1CO1 34a_100000182051_102125554688 [1,0,0,1,0,0|2,0,0]=4 22967 B9R1.83 NCCOCCC1CC1 34a_100000210304_100000694398 [1,0,0,1,0,0|1,0,0]=3 22968 B9R1.83 NCCOCCC1CO1 34a_100000210304_100000732470 [1,0,0,1,0,0|2,0,0]=4 22969 B9R1.83 NOCCOCC1CC1 34a_100000700252_100000742324 [1,0,0,1,0,0|2,0,0]=4 22970 B9R1.83 O=CCOCCC1CC1 34a_100000754188_200009817547 [1,0,0,1,0,0|1,0,1]=4 22971 B9R1.83 O=CCOCCC1CC1 7a_100000754188_200015260668 [1,0,0,1,0,0|1,0,1]=4 22972 B9R1.83 OCCCCNC1CC1 34a_100000212008_100011216708 [1,0,0,1,0,0|2,0,0]=4 22973 B9R1.83 OCCCCNC1CC1 34a_100000750430_100000211595 [1,0,0,1,0,0|2,0,0]=4 22974 B9R1.83 OCCCCSC1CC1 62a_100000210776_100000211595 [1,0,0,1,0,0|1,1,0]=4 22975 B9R1.83 OCCCNCC1CC1 2230a_100000735609_100000230001 [1,0,0,1,0,0|2,0,0]=4 22976 B9R1.83 OCCCNCC1CC1 269862a_100000182051_100000741477 [1,0,0,1,0,0|2,0,0]=4 22977 B9R1.83 OCCCNCC1CC1 34a_100000735609_100000230001 [1,0,0,1,0,0|2,0,0]=4 22978 B9R1.83 OCCCOCC1CC1 34a_100000211283_100000230001 [1,0,0,1,0,0|1,0,0]=3 22979 B9R1.83 OCCCOC[C@@H]1CO1 34a_100000757423_100000230001 [1,0,0,1,0,0|2,0,0]=4 22980 B9R1.83 OCCCSCC1CC1 62a_100000756562_100011215043 [1,0,0,1,0,0|1,1,0]=4 22981 B9R1.83 OCCCSCC1CC1 62a_100011215043_100000742324 [1,0,0,1,0,0|1,1,0]=4 22982 B9R1.83 OCCNCCC1CC1 2230a_100016997473_100000694398 [1,0,0,1,0,0|2,0,0]=4 22983 B9R1.83 OCCNCCC1CC1 34a_100000764129_100000211926 [1,0,0,1,0,0|2,0,0]=4 22984 B9R1.83 OCCNCCC1CC1 34a_100016990907_100000694398 [1,0,0,1,0,0|2,0,0]=4 22985 B9R1.83 OCCOCCC1CC1 34a_100000754188_100000211926 [1,0,0,1,0,0|1,0,0]=3 22986 B9R1.83 OCCOCCC1CC1 7a_100000754188_100000211926 [1,0,0,1,0,0|1,0,0]=3 22987 B9R1.83 OCCOCC[C@@H]1CO1 34a_100009820653_100000211926 [1,0,0,1,0,0|2,0,0]=4 22988 B9R1.83 OCCSCCC1CC1 62a_100000211926_100000764125 [1,0,0,1,0,0|1,1,0]=4 22989 B9R1.83 OCCSCCC1CC1 62a_100000764125_100000211926 [1,0,0,1,0,0|1,1,0]=4 22990 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [1,0,0,1,0,0|1,0,0]=3 22991 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [1,0,0,1,0,0|1,0,0]=3 22992 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [1,0,0,1,0,0|1,0,0]=3 22993 B9R1.89 CCN1CCCOCC1 2230a_100000685342_100000210202 [1,0,0,1,0,0|1,0,0]=3 22994 B9R1.89 CCN1CCCOCC1 269982a_100000685342_100000204670 [1,0,0,1,0,0|1,0,0]=3 22995 B9R1.89 CCN1CCCOCC1 34a_100000685342_100000210202 [1,0,0,1,0,0|1,0,0]=3 22996 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [1,0,0,1,0,0|1,0,0]=3 22997 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [1,0,0,1,0,0|1,0,0]=3 22998 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [1,0,0,1,0,0|1,0,0]=3 22999 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [1,0,0,1,0,0|1,0,0]=3 23000 B9R1.89 CNC1CCCNCC1 270004a_106832991635_100015187895 [1,0,0,1,0,0|2,0,0]=4 23001 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [1,0,0,1,0,0|1,0,0]=3 23002 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [1,0,0,1,0,0|1,0,0]=3 23003 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [1,0,0,1,0,0|1,0,0]=3 23004 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [1,0,0,1,0,0|1,0,0]=3 23005 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [1,0,0,1,0,0|1,0,0]=3 23006 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [1,0,0,1,0,0|2,0,0]=4 23007 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [1,0,0,1,0,0|2,0,0]=4 23008 B9R1.89 FCN1CCCOCC1 269982a_100000685342_100015361967 [1,0,0,1,0,0|2,0,0]=4 23009 B9R1.89 FCN1CCCOCC1 34a_100000685342_100015361967 [1,0,0,1,0,0|2,0,0]=4 23010 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [1,0,0,1,0,0|1,0,0]=3 23011 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [1,0,0,1,0,0|1,0,0]=3 23012 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [1,0,0,1,0,0|1,0,0]=3 23013 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [1,0,0,1,0,0|1,0,0]=3 23014 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [1,0,0,1,0,0|1,0,0]=3 23015 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [1,0,0,1,0,0|1,0,0]=3 23016 B11R1.4 BrCCCCOC1CCCC1 34a_100011216708_100000179811 [0,1,0,1,0,0|0,0,0]=2 23017 B11R1.4 BrCCCCOC1CCOC1 34a_100011216708_100000690089 [0,1,0,1,0,0|1,0,0]=3 23018 B11R1.4 BrCCCOCC1CCCC1 34a_100011217188_100000740388 [0,1,0,1,0,0|1,0,0]=3 23019 B11R1.4 BrCCCOCC1CCOC1 34a_100011217188_100011261433 [0,1,0,1,0,0|1,0,0]=3 23020 B11R1.4 BrCCCOCC1OCCO1 34a_100011217188_100000755774 [0,1,0,1,0,0|2,0,0]=4 23021 B11R1.4 BrCCOCCC1CCCC1 34a_100000211926_100000760354 [0,1,0,1,0,0|2,0,0]=4 23022 B11R1.4 C#CCCCCN1CCCC1 2230a_100000188435_100010269958 [0,1,0,1,0,0|1,0,1]=4 23023 B11R1.4 C#CCCCCN1CCCC1 269982a_100000188435_100010269958 [0,1,0,1,0,0|1,0,1]=4 23024 B11R1.4 C#CCCCNC1CCCC1 2230a_100000211070_100000731252 [0,1,0,1,0,0|1,0,1]=4 23025 B11R1.4 C#CCCCNC1CCCC1 270004a_100000718082_100000210133 [0,1,0,1,0,0|1,0,1]=4 23026 B11R1.4 C#CCCCNC1CCCC1 34a_100000211070_100000695029 [0,1,0,1,0,0|1,0,1]=4 23027 B11R1.4 C#CCCCNC1CCCC1 34a_100000718082_100000179811 [0,1,0,1,0,0|1,0,1]=4 23028 B11R1.4 C#CCCCOC1CCCC1 34a_100000210269_100000695029 [0,1,0,1,0,0|0,0,1]=3 23029 B11R1.4 C#CCCCOC1CCCC1 34a_100000215630_100000179811 [0,1,0,1,0,0|0,0,1]=3 23030 B11R1.4 C#CCCCOC1CCCC1 7a_100000210269_100011215417 [0,1,0,1,0,0|0,0,1]=3 23031 B11R1.4 C#CCCCOC1CCCC1 7a_100000215630_100000179811 [0,1,0,1,0,0|0,0,1]=3 23032 B11R1.4 C#CCCCOC1CCCO1 34a_100000085407_100000695029 [0,1,0,1,0,0|0,0,2]=4 23033 B11R1.4 C#CCCCOC1CCOC1 34a_100000215630_100000690089 [0,1,0,1,0,0|0,0,2]=4 23034 B11R1.4 C#CCCCOC1CCOC1 7a_100000215630_100000731011 [0,1,0,1,0,0|0,0,2]=4 23035 B11R1.4 C#CCCCOC1CCSC1 7a_100011232664_100011215417 [0,1,0,1,0,0|0,0,2]=4 23036 B11R1.4 C#CCCCO[C@H]1CCOC1 34a_100000717292_100000695029 [0,1,0,1,0,0|0,0,2]=4 23037 B11R1.4 C#CCCCSC1CCCC1 62a_100011215417_100000179811 [0,1,0,1,0,0|0,1,1]=4 23038 B11R1.4 C#CCCCSC1CCCC1 62a_100011217020_100011215417 [0,1,0,1,0,0|0,1,1]=4 23039 B11R1.4 C#CCCOCC1CCCC1 34a_100000742336_100000688953 [0,1,0,1,0,0|0,0,2]=4 23040 B11R1.4 C#CCCOCC1CCCC1 34a_100011215631_100000740388 [0,1,0,1,0,0|0,0,2]=4 23041 B11R1.4 C#CCCOCC1CCCC1 7a_100000742336_100000688953 [0,1,0,1,0,0|0,0,2]=4 23042 B11R1.4 C#CCCOCC1CCCO1 34a_100000210270_100000688953 [0,1,0,1,0,0|0,0,2]=4 23043 B11R1.4 C#CCCOCC1CCCO1 7a_100000210270_100000688953 [0,1,0,1,0,0|0,0,2]=4 23044 B11R1.4 C#CCCOCC1CCNC1 34a_100000748654_100000688953 [0,1,0,1,0,0|0,0,2]=4 23045 B11R1.4 C#CCCOCC1CCOC1 34a_100000740260_100000688953 [0,1,0,1,0,0|0,0,2]=4 23046 B11R1.4 C#CCCOCC1CCOC1 34a_100011215631_100011261433 [0,1,0,1,0,0|0,0,2]=4 23047 B11R1.4 C#CCCOC[C@H]1CCCN1 34a_100000745186_100000688953 [0,1,0,1,0,0|0,0,2]=4 23048 B11R1.4 C/C=C/CCOC1CCCC1 34a_100016278192_100000179811 [0,1,0,1,0,0|0,0,1]=3 23049 B11R1.4 C/C=C/CCOC1CCOC1 34a_100016278192_100000690089 [0,1,0,1,0,0|0,0,2]=4 23050 B11R1.4 C/C=C/COCC1CCCC1 34a_100000742336_100102629194 [0,1,0,1,0,0|0,0,2]=4 23051 B11R1.4 C/C=C/COCC1CCCC1 34a_100016270725_100000740388 [0,1,0,1,0,0|0,0,2]=4 23052 B11R1.4 C/C=C/COCC1CCCC1 7a_100000742336_100102629194 [0,1,0,1,0,0|0,0,2]=4 23053 B11R1.4 C/C=C/COCC1CCCO1 34a_100000210270_100102629194 [0,1,0,1,0,0|0,0,2]=4 23054 B11R1.4 C/C=C/COCC1CCCO1 7a_100000210270_100102629194 [0,1,0,1,0,0|0,0,2]=4 23055 B11R1.4 C/C=C/COCC1CCNC1 34a_100000748654_100102629194 [0,1,0,1,0,0|0,0,2]=4 23056 B11R1.4 C/C=C/COCC1CCOC1 34a_100000740260_100102629194 [0,1,0,1,0,0|0,0,2]=4 23057 B11R1.4 C/C=C/COCC1CCOC1 34a_100016270725_100011261433 [0,1,0,1,0,0|0,0,2]=4 23058 B11R1.4 C/C=C/COC[C@H]1CCCN1 34a_100000745186_100102629194 [0,1,0,1,0,0|0,0,2]=4 23059 B11R1.4 C=CCCCCN1CCCC1 2230a_100000188435_100011215482 [0,1,0,1,0,0|1,0,1]=4 23060 B11R1.4 C=CCCCCN1CCCC1 269982a_100000188435_100011215482 [0,1,0,1,0,0|1,0,1]=4 23061 B11R1.4 C=CCCCNC1CCCC1 2230a_100000211070_100011713584 [0,1,0,1,0,0|1,0,1]=4 23062 B11R1.4 C=CCCCNC1CCCC1 2230a_100000700776_100000179811 [0,1,0,1,0,0|1,0,1]=4 23063 B11R1.4 C=CCCCNC1CCCC1 270004a_100000700776_100000210133 [0,1,0,1,0,0|1,0,1]=4 23064 B11R1.4 C=CCCCNC1CCCC1 34a_100000211070_100000757094 [0,1,0,1,0,0|1,0,1]=4 23065 B11R1.4 C=CCCCNC1CCCC1 34a_100000700776_100000179811 [0,1,0,1,0,0|1,0,1]=4 23066 B11R1.4 C=CCCCOC1CCCC1 34a_100000210269_100000757094 [0,1,0,1,0,0|0,0,1]=3 23067 B11R1.4 C=CCCCOC1CCCC1 34a_100000758997_100000179811 [0,1,0,1,0,0|0,0,1]=3 23068 B11R1.4 C=CCCCOC1CCCC1 7a_100000210269_100000757094 [0,1,0,1,0,0|0,0,1]=3 23069 B11R1.4 C=CCCCOC1CCCC1 7a_100000758997_100000179811 [0,1,0,1,0,0|0,0,1]=3 23070 B11R1.4 C=CCCCOC1CCCO1 34a_100000085407_100000757094 [0,1,0,1,0,0|0,0,2]=4 23071 B11R1.4 C=CCCCOC1CCOC1 34a_100000758997_100000690089 [0,1,0,1,0,0|0,0,2]=4 23072 B11R1.4 C=CCCCOC1CCOC1 7a_100000758997_100000731011 [0,1,0,1,0,0|0,0,2]=4 23073 B11R1.4 C=CCCCOC1CCSC1 7a_100011232664_100000757094 [0,1,0,1,0,0|0,0,2]=4 23074 B11R1.4 C=CCCCO[C@H]1CCOC1 34a_100000717292_100000757094 [0,1,0,1,0,0|0,0,2]=4 23075 B11R1.4 C=CCCCSC1CCCC1 62a_100011217020_100000757094 [0,1,0,1,0,0|0,1,1]=4 23076 B11R1.4 C=CCCCSC1CCCC1 62a_100011713584_100000179811 [0,1,0,1,0,0|0,1,1]=4 23077 B11R1.4 C=CCCOCC1CCCC1 34a_100000742336_100000754431 [0,1,0,1,0,0|0,0,2]=4 23078 B11R1.4 C=CCCOCC1CCCC1 34a_100011205117_100000740388 [0,1,0,1,0,0|0,0,2]=4 23079 B11R1.4 C=CCCOCC1CCCC1 7a_100000742336_100000754431 [0,1,0,1,0,0|0,0,2]=4 23080 B11R1.4 C=CCCOCC1CCCO1 34a_100000210270_100000754431 [0,1,0,1,0,0|0,0,2]=4 23081 B11R1.4 C=CCCOCC1CCCO1 7a_100000210270_100000754431 [0,1,0,1,0,0|0,0,2]=4 23082 B11R1.4 C=CCCOCC1CCNC1 34a_100000748654_100000754431 [0,1,0,1,0,0|0,0,2]=4 23083 B11R1.4 C=CCCOCC1CCOC1 34a_100000740260_100000754431 [0,1,0,1,0,0|0,0,2]=4 23084 B11R1.4 C=CCCOCC1CCOC1 34a_100011205117_100011261433 [0,1,0,1,0,0|0,0,2]=4 23085 B11R1.4 C=CCCOC[C@H]1CCCN1 34a_100000745186_100000754431 [0,1,0,1,0,0|0,0,2]=4 23086 B11R1.4 C=COCCOC1CCCC1 34a_100000033082_100000179811 [0,1,0,1,0,0|0,0,2]=4 23087 B11R1.4 C=COCCOC1CCCC1 34a_100000210269_100000039644 [0,1,0,1,0,0|0,0,2]=4 23088 B11R1.4 C=COCCOC1CCCC1 7a_100000210269_100000039644 [0,1,0,1,0,0|0,0,2]=4 23089 B11R1.4 CC#CCCOC1CCCC1 34a_100000750427_100000179811 [0,1,0,1,0,0|0,0,1]=3 23090 B11R1.4 CC#CCCOC1CCOC1 34a_100000750427_100000690089 [0,1,0,1,0,0|0,0,2]=4 23091 B11R1.4 CC#CCOCC1CCCC1 34a_100000742336_100000748600 [0,1,0,1,0,0|0,0,2]=4 23092 B11R1.4 CC#CCOCC1CCCC1 34a_100000761923_100000740388 [0,1,0,1,0,0|0,0,2]=4 23093 B11R1.4 CC#CCOCC1CCCC1 7a_100000742336_100000748600 [0,1,0,1,0,0|0,0,2]=4 23094 B11R1.4 CC#CCOCC1CCCO1 34a_100000210270_100000748600 [0,1,0,1,0,0|0,0,2]=4 23095 B11R1.4 CC#CCOCC1CCCO1 7a_100000210270_100000748600 [0,1,0,1,0,0|0,0,2]=4 23096 B11R1.4 CC#CCOCC1CCNC1 34a_100000748654_100000748600 [0,1,0,1,0,0|0,0,2]=4 23097 B11R1.4 CC#CCOCC1CCOC1 34a_100000740260_100000748600 [0,1,0,1,0,0|0,0,2]=4 23098 B11R1.4 CC#CCOCC1CCOC1 34a_100000761923_100011261433 [0,1,0,1,0,0|0,0,2]=4 23099 B11R1.4 CC#CCOC[C@H]1CCCN1 34a_100000745186_100000748600 [0,1,0,1,0,0|0,0,2]=4 23100 B11R1.4 CC/C=C\CCN1CCCC1 2230a_100000188435_100015370543 [0,1,0,1,0,0|1,0,1]=4 23101 B11R1.4 CC/C=C\CCN1CCCC1 269982a_100000188435_100015370543 [0,1,0,1,0,0|1,0,1]=4 23102 B11R1.4 CC/C=C\CNC1CCCC1 2230a_100000211070_100103147603 [0,1,0,1,0,0|1,0,1]=4 23103 B11R1.4 CC/C=C\CNC1CCCC1 34a_100000211070_100103147603 [0,1,0,1,0,0|1,0,1]=4 23104 B11R1.4 CC/C=C\COC1CCCC1 34a_100000210269_100103147603 [0,1,0,1,0,0|0,0,1]=3 23105 B11R1.4 CC/C=C\COC1CCCC1 34a_100016268518_100000179811 [0,1,0,1,0,0|0,0,1]=3 23106 B11R1.4 CC/C=C\COC1CCCC1 7a_100000210269_100103147603 [0,1,0,1,0,0|0,0,1]=3 23107 B11R1.4 CC/C=C\COC1CCCO1 34a_100000085407_100103147603 [0,1,0,1,0,0|0,0,2]=4 23108 B11R1.4 CC/C=C\COC1CCOC1 34a_100016268518_100000690089 [0,1,0,1,0,0|0,0,2]=4 23109 B11R1.4 CC/C=C\COC1CCSC1 7a_100011232664_100103147603 [0,1,0,1,0,0|0,0,2]=4 23110 B11R1.4 CC/C=C\CO[C@H]1CCOC1 34a_100000717292_100103147603 [0,1,0,1,0,0|0,0,2]=4 23111 B11R1.4 CC/C=C\CSC1CCCC1 62a_100011217020_100103147603 [0,1,0,1,0,0|0,1,1]=4 23112 B11R1.4 CC/C=C\CSC1CCCC1 62a_100103147603_100000179811 [0,1,0,1,0,0|0,1,1]=4 23113 B11R1.4 CC=CCOCC1CCCC1 34a_100000742336_100000070051 [0,1,0,1,0,0|0,0,2]=4 23114 B11R1.4 CC=CCOCC1CCCC1 7a_100000742336_100000070051 [0,1,0,1,0,0|0,0,2]=4 23115 B11R1.4 CC=CCOCC1CCCO1 34a_100000210270_100000070051 [0,1,0,1,0,0|0,0,2]=4 23116 B11R1.4 CC=CCOCC1CCCO1 7a_100000210270_100000070051 [0,1,0,1,0,0|0,0,2]=4 23117 B11R1.4 CC=CCOCC1CCNC1 34a_100000748654_100000070051 [0,1,0,1,0,0|0,0,2]=4 23118 B11R1.4 CC=CCOCC1CCOC1 34a_100000740260_100000070051 [0,1,0,1,0,0|0,0,2]=4 23119 B11R1.4 CC=CCOC[C@H]1CCCN1 34a_100000745186_100000070051 [0,1,0,1,0,0|0,0,2]=4 23120 B11R1.4 CCC#CCNC1CCCC1 2230a_100000211070_100009813939 [0,1,0,1,0,0|1,0,1]=4 23121 B11R1.4 CCC#CCNC1CCCC1 34a_100000211070_100009813939 [0,1,0,1,0,0|1,0,1]=4 23122 B11R1.4 CCC#CCOC1CCCC1 34a_100000032950_100000179811 [0,1,0,1,0,0|0,0,1]=3 23123 B11R1.4 CCC#CCOC1CCCC1 34a_100000210269_100009813939 [0,1,0,1,0,0|0,0,1]=3 23124 B11R1.4 CCC#CCOC1CCCC1 7a_100000210269_100009813939 [0,1,0,1,0,0|0,0,1]=3 23125 B11R1.4 CCC#CCOC1CCCO1 34a_100000085407_100009813939 [0,1,0,1,0,0|0,0,2]=4 23126 B11R1.4 CCC#CCOC1CCOC1 34a_100000032950_100000690089 [0,1,0,1,0,0|0,0,2]=4 23127 B11R1.4 CCC#CCOC1CCSC1 7a_100011232664_100009813939 [0,1,0,1,0,0|0,0,2]=4 23128 B11R1.4 CCC#CCO[C@H]1CCOC1 34a_100000717292_100009813939 [0,1,0,1,0,0|0,0,2]=4 23129 B11R1.4 CCC#CCSC1CCCC1 62a_100009813939_100000179811 [0,1,0,1,0,0|0,1,1]=4 23130 B11R1.4 CCC#CCSC1CCCC1 62a_100011217020_100009813939 [0,1,0,1,0,0|0,1,1]=4 23131 B11R1.4 CCCC=NNC1CCCC1 4a_100000737850_100000185831 [0,1,0,1,0,0|1,0,1]=4 23132 B11R1.4 CCCCCCN1CCCC1 2230a_100000188435_100000210314 [0,1,0,1,0,0|1,0,0]=3 23133 B11R1.4 CCCCCCN1CCCC1 269982a_100000188435_100000210757 [0,1,0,1,0,0|1,0,0]=3 23134 B11R1.4 CCCCCCN1CCSC1 2230a_100011215254_100000210314 [0,1,0,1,0,0|2,0,0]=4 23135 B11R1.4 CCCCCCN1CCSC1 269982a_100011215254_100000210757 [0,1,0,1,0,0|2,0,0]=4 23136 B11R1.4 CCCCCNC1CC=CC1 2230a_100015188752_100000210326 [0,1,0,1,0,0|1,0,1]=4 23137 B11R1.4 CCCCCNC1CCCC1 2230a_100000209983_100000179811 [0,1,0,1,0,0|1,0,0]=3 23138 B11R1.4 CCCCCNC1CCCC1 2230a_100000211070_100000210326 [0,1,0,1,0,0|1,0,0]=3 23139 B11R1.4 CCCCCNC1CCCC1 270004a_100000209983_100000210133 [0,1,0,1,0,0|1,0,0]=3 23140 B11R1.4 CCCCCNC1CCCC1 34a_100000211070_100000718602 [0,1,0,1,0,0|1,0,0]=3 23141 B11R1.4 CCCCCNC1CCOC1 2230a_100000209983_100000731011 [0,1,0,1,0,0|1,0,0]=3 23142 B11R1.4 CCCCCNC1CCOC1 270004a_100000209983_100000752484 [0,1,0,1,0,0|1,0,0]=3 23143 B11R1.4 CCCCCNC1CCSC1 270004a_100000209983_100000212027 [0,1,0,1,0,0|1,0,0]=3 23144 B11R1.4 CCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210326 [0,1,0,1,0,0|1,0,0]=3 23145 B11R1.4 CCCCCN[C@H]1CCOC1 2230a_100015188467_100000210326 [0,1,0,1,0,0|1,0,0]=3 23146 B11R1.4 CCCCCN[C@H]1CCOC1 34a_100015188467_100000718602 [0,1,0,1,0,0|1,0,0]=3 23147 B11R1.4 CCCCCOC1CCCC1 34a_100000210253_100000179811 [0,1,0,1,0,0|0,0,0]=2 23148 B11R1.4 CCCCCOC1CCCC1 34a_100000210269_100000718602 [0,1,0,1,0,0|0,0,0]=2 23149 B11R1.4 CCCCCOC1CCCC1 7a_100000210253_100000179811 [0,1,0,1,0,0|0,0,0]=2 23150 B11R1.4 CCCCCOC1CCCC1 7a_100000210269_100000210326 [0,1,0,1,0,0|0,0,0]=2 23151 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [0,1,0,1,0,0|0,0,0]=2 23152 B11R1.4 CCCCCOC1CCOC1 34a_100000210253_100000690089 [0,1,0,1,0,0|0,0,0]=2 23153 B11R1.4 CCCCCOC1CCOC1 7a_100000210253_100000731011 [0,1,0,1,0,0|0,0,0]=2 23154 B11R1.4 CCCCCOC1CCSC1 7a_100011232664_100000210326 [0,1,0,1,0,0|0,0,0]=2 23155 B11R1.4 CCCCCO[C@H]1CCOC1 34a_100000717292_100000718602 [0,1,0,1,0,0|0,0,0]=2 23156 B11R1.4 CCCCCSC1CCCC1 62a_100000210326_100000179811 [0,1,0,1,0,0|0,1,0]=3 23157 B11R1.4 CCCCCSC1CCCC1 62a_100011217020_100000210326 [0,1,0,1,0,0|0,1,0]=3 23158 B11R1.4 CCCCCSC1CCOC1 62a_100000210326_100000690089 [0,1,0,1,0,0|0,1,0]=3 23159 B11R1.4 CCCCNCC1CCCC1 2230a_100000102301_100000740388 [0,1,0,1,0,0|1,0,0]=3 23160 B11R1.4 CCCCNCC1CCCC1 2230a_100000737975_100000210211 [0,1,0,1,0,0|1,0,0]=3 23161 B11R1.4 CCCCNCC1CCCC1 269862a_100000102301_100000746403 [0,1,0,1,0,0|1,0,0]=3 23162 B11R1.4 CCCCNCC1CCCC1 34a_100000737975_100000210210 [0,1,0,1,0,0|1,0,0]=3 23163 B11R1.4 CCCCNCC1CCCC1 7a_106832991798_100000740388 [0,1,0,1,0,0|1,0,0]=3 23164 B11R1.4 CCCCNCC1CCCO1 2230a_100000102301_100000203698 [0,1,0,1,0,0|1,0,0]=3 23165 B11R1.4 CCCCNCC1CCCO1 7a_106832991798_100000203698 [0,1,0,1,0,0|1,0,0]=3 23166 B11R1.4 CCCCNCC1CCOC1 2230a_100000102301_100000702531 [0,1,0,1,0,0|1,0,0]=3 23167 B11R1.4 CCCCNCC1CCOC1 2230a_100000737293_100000210211 [0,1,0,1,0,0|1,0,0]=3 23168 B11R1.4 CCCCNCC1CCOC1 34a_100000737293_100000210210 [0,1,0,1,0,0|1,0,0]=3 23169 B11R1.4 CCCCNCC1CCOC1 7a_106832991798_100000702531 [0,1,0,1,0,0|1,0,0]=3 23170 B11R1.4 CCCCNCC1OCCO1 2230a_100000036311_100000210211 [0,1,0,1,0,0|2,0,0]=4 23171 B11R1.4 CCCCNCC1OCCO1 2230a_100000102301_100000755774 [0,1,0,1,0,0|2,0,0]=4 23172 B11R1.4 CCCCNCC1OCCO1 34a_100000036311_100000210210 [0,1,0,1,0,0|2,0,0]=4 23173 B11R1.4 CCCCNCC1OCCO1 7a_106832991798_100000755774 [0,1,0,1,0,0|2,0,0]=4 23174 B11R1.4 CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210211 [0,1,0,1,0,0|1,0,0]=3 23175 B11R1.4 CCCCNC[C@@H]1CCCO1 34a_100020590478_100000210210 [0,1,0,1,0,0|1,0,0]=3 23176 B11R1.4 CCCCNN=C1CCCC1 4a_100025702795_100000210133 [0,1,0,1,0,0|1,0,1]=4 23177 B11R1.4 CCCCOCC1=NCCN1 34a_100000210227_100000737910 [0,1,0,1,0,0|1,0,1]=4 23178 B11R1.4 CCCCOCC1=NCCN1 7a_100000210227_100000737910 [0,1,0,1,0,0|1,0,1]=4 23179 B11R1.4 CCCCOCC1CC=CC1 34a_100000688395_100000210210 [0,1,0,1,0,0|0,0,1]=3 23180 B11R1.4 CCCCOCC1CCCC1 34a_100000210227_100000740388 [0,1,0,1,0,0|0,0,0]=2 23181 B11R1.4 CCCCOCC1CCCC1 34a_100000742336_100000210210 [0,1,0,1,0,0|0,0,0]=2 23182 B11R1.4 CCCCOCC1CCCC1 7a_100000210227_100000740388 [0,1,0,1,0,0|0,0,0]=2 23183 B11R1.4 CCCCOCC1CCCC1 7a_100000742336_100000210211 [0,1,0,1,0,0|0,0,0]=2 23184 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [0,1,0,1,0,0|0,0,0]=2 23185 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [0,1,0,1,0,0|0,0,0]=2 23186 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [0,1,0,1,0,0|0,0,0]=2 23187 B11R1.4 CCCCOCC1CCNC1 34a_100000748654_100000210210 [0,1,0,1,0,0|0,0,0]=2 23188 B11R1.4 CCCCOCC1CCOC1 34a_100000210227_100011261433 [0,1,0,1,0,0|0,0,0]=2 23189 B11R1.4 CCCCOCC1CCOC1 34a_100000740260_100000210210 [0,1,0,1,0,0|0,0,0]=2 23190 B11R1.4 CCCCOCC1CCOC1 7a_100000210227_100000702531 [0,1,0,1,0,0|0,0,0]=2 23191 B11R1.4 CCCCOCC1COCO1 34a_100011216627_100000210210 [0,1,0,1,0,0|1,0,0]=3 23192 B11R1.4 CCCCOCC1OCCO1 34a_100000087154_100000210210 [0,1,0,1,0,0|1,0,0]=3 23193 B11R1.4 CCCCOCC1OCCO1 34a_100000210227_100000755774 [0,1,0,1,0,0|1,0,0]=3 23194 B11R1.4 CCCCOCC1OCCO1 7a_100000210227_100000755774 [0,1,0,1,0,0|1,0,0]=3 23195 B11R1.4 CCCCOCN1CC=CC1 269982a_100015195280_100011995733 [0,1,0,1,0,0|0,0,2]=4 23196 B11R1.4 CCCCOCN1CCCC1 2230a_100000188435_100011995733 [0,1,0,1,0,0|0,0,0]=2 23197 B11R1.4 CCCCOCN1CCCC1 269982a_100000188435_100011995733 [0,1,0,1,0,0|0,0,0]=2 23198 B11R1.4 CCCCOCN1CCSC1 2230a_100011215254_100011995733 [0,1,0,1,0,0|1,0,0]=3 23199 B11R1.4 CCCCOCN1CCSC1 269982a_100011215254_100011995733 [0,1,0,1,0,0|1,0,0]=3 23200 B11R1.4 CCCCOC[C@H]1CCCN1 34a_100000745186_100000210210 [0,1,0,1,0,0|0,0,0]=2 23201 B11R1.4 CCCCSCC1CCCC1 62a_100000210211_100000740388 [0,1,0,1,0,0|0,1,0]=3 23202 B11R1.4 CCCCSCC1CCCC1 62a_100000740388_100000210210 [0,1,0,1,0,0|0,1,0]=3 23203 B11R1.4 CCCCSCC1CCCO1 62a_100000203698_100000210210 [0,1,0,1,0,0|0,1,0]=3 23204 B11R1.4 CCCCSCC1CCCO1 62a_100000210211_100000203698 [0,1,0,1,0,0|0,1,0]=3 23205 B11R1.4 CCCCSCC1CCOC1 62a_100000210211_100000702531 [0,1,0,1,0,0|0,1,0]=3 23206 B11R1.4 CCCCSCC1CCOC1 62a_100000702531_100000210210 [0,1,0,1,0,0|0,1,0]=3 23207 B11R1.4 CCCCSCC1OCCO1 62a_100000210211_100000755774 [0,1,0,1,0,0|1,1,0]=4 23208 B11R1.4 CCCCSCC1OCCO1 62a_100000755774_100000210210 [0,1,0,1,0,0|1,1,0]=4 23209 B11R1.4 CCCNCCC1CCCC1 2230a_100000739158_100000210303 [0,1,0,1,0,0|1,0,0]=3 23210 B11R1.4 CCCNCCC1CCCC1 34a_100000739158_100000210303 [0,1,0,1,0,0|1,0,0]=3 23211 B11R1.4 CCCNN=CC1CCCC1 4a_100000740057_100000746403 [0,1,0,1,0,0|2,0,0]=4 23212 B11R1.4 CCCOCCC1CCCC1 34a_100000210258_100000760354 [0,1,0,1,0,0|1,0,0]=3 23213 B11R1.4 CCCOCCC1CCCC1 34a_100000749090_100000210303 [0,1,0,1,0,0|1,0,0]=3 23214 B11R1.4 CCCOCCC1CCCC1 7a_100000749090_100000210303 [0,1,0,1,0,0|1,0,0]=3 23215 B11R1.4 CCCOCCC1CCNC1 34a_100016987287_100000210303 [0,1,0,1,0,0|2,0,0]=4 23216 B11R1.4 CCCOCCC1CCOC1 34a_100011879284_100000210303 [0,1,0,1,0,0|2,0,0]=4 23217 B11R1.4 CCCOCCN1CCCC1 2230a_100000188435_100011215938 [0,1,0,1,0,0|1,0,0]=3 23218 B11R1.4 CCCOCCN1CCCC1 269982a_100000188435_100011215938 [0,1,0,1,0,0|1,0,0]=3 23219 B11R1.4 CCCOCCN1CCSC1 2230a_100011215254_100011215938 [0,1,0,1,0,0|2,0,0]=4 23220 B11R1.4 CCCOCCN1CCSC1 269982a_100011215254_100011215938 [0,1,0,1,0,0|2,0,0]=4 23221 B11R1.4 CCCSCCC1CCCC1 62a_100000210303_100000760354 [0,1,0,1,0,0|1,0,0]=3 23222 B11R1.4 CCCSCCC1CCCC1 62a_100000760354_100000210303 [0,1,0,1,0,0|1,0,0]=3 23223 B11R1.4 CCCSCCN1CCCC1 62a_100000210303_100000004467 [0,1,0,1,0,0|1,0,0]=3 23224 B11R1.4 CCCSCCN1CCCC1 62a_100000700749_100000210303 [0,1,0,1,0,0|1,0,0]=3 23225 B11R1.4 CCNCCCC1CCCC1 2230a_100000736752_100000210202 [0,1,0,1,0,0|1,0,0]=3 23226 B11R1.4 CCNCCCC1CCCC1 2230a_100015525214_100011713738 [0,1,0,1,0,0|1,0,0]=3 23227 B11R1.4 CCNCCCC1CCCC1 34a_100000736752_100000210202 [0,1,0,1,0,0|1,0,0]=3 23228 B11R1.4 CCNCCCN1CCCC1 2230a_100015525214_100011445909 [0,1,0,1,0,0|1,0,0]=3 23229 B11R1.4 CCNCCOC1CCCC1 34a_100000741755_100000210202 [0,1,0,1,0,0|0,0,0]=2 23230 B11R1.4 CCOCCCC1CCCC1 34a_100011215328_100000210202 [0,1,0,1,0,0|1,0,0]=3 23231 B11R1.4 CCOCCCC1CCCC1 34a_100121572206_100011713738 [0,1,0,1,0,0|1,0,0]=3 23232 B11R1.4 CCOCCCC1CCCC1 7a_100011215328_100000210202 [0,1,0,1,0,0|1,0,0]=3 23233 B11R1.4 CCOCCCN1CCCC1 2230a_100000188435_100012232248 [0,1,0,1,0,0|1,0,0]=3 23234 B11R1.4 CCOCCCN1CCCC1 269982a_100000188435_100012232248 [0,1,0,1,0,0|1,0,0]=3 23235 B11R1.4 CCOCCCN1CCCC1 34a_100121572206_100016991639 [0,1,0,1,0,0|1,0,0]=3 23236 B11R1.4 CCOCCCN1CCSC1 2230a_100011215254_100012232248 [0,1,0,1,0,0|2,0,0]=4 23237 B11R1.4 CCOCCCN1CCSC1 269982a_100011215254_100012232248 [0,1,0,1,0,0|2,0,0]=4 23238 B11R1.4 CCOCCNC1CCCC1 2230a_100000211070_100011215890 [0,1,0,1,0,0|1,0,0]=3 23239 B11R1.4 CCOCCNC1CCCC1 2230a_102516460346_100000179811 [0,1,0,1,0,0|1,0,0]=3 23240 B11R1.4 CCOCCNC1CCCC1 270004a_102516460346_100000210133 [0,1,0,1,0,0|1,0,0]=3 23241 B11R1.4 CCOCCNC1CCCC1 34a_100000211070_100000210147 [0,1,0,1,0,0|1,0,0]=3 23242 B11R1.4 CCOCCNC1CCCC1 34a_102516460346_100000179811 [0,1,0,1,0,0|1,0,0]=3 23243 B11R1.4 CCOCCNC1CCCC1 34a_200000200444_100000210202 [0,1,0,1,0,0|1,0,0]=3 23244 B11R1.4 CCOCCNC1CCOC1 2230a_102516460346_100000731011 [0,1,0,1,0,0|2,0,0]=4 23245 B11R1.4 CCOCCNC1CCOC1 270004a_102516460346_100000752484 [0,1,0,1,0,0|2,0,0]=4 23246 B11R1.4 CCOCCNC1CCOC1 34a_102516460346_100000690089 [0,1,0,1,0,0|2,0,0]=4 23247 B11R1.4 CCOCCNC1CCSC1 270004a_102516460346_100000212027 [0,1,0,1,0,0|2,0,0]=4 23248 B11R1.4 CCOCCN[C@@H]1CCOC1 2230a_200015188469_100011215890 [0,1,0,1,0,0|2,0,0]=4 23249 B11R1.4 CCOCCN[C@H]1CCOC1 2230a_100015188467_100011215890 [0,1,0,1,0,0|2,0,0]=4 23250 B11R1.4 CCOCCN[C@H]1CCOC1 34a_100015188467_100000210147 [0,1,0,1,0,0|2,0,0]=4 23251 B11R1.4 CCOCCOC1CCCC1 34a_100000210136_100000179811 [0,1,0,1,0,0|0,0,0]=2 23252 B11R1.4 CCOCCOC1CCCC1 34a_100000210269_100000210147 [0,1,0,1,0,0|0,0,0]=2 23253 B11R1.4 CCOCCOC1CCCC1 34a_100000738311_100000210202 [0,1,0,1,0,0|0,0,0]=2 23254 B11R1.4 CCOCCOC1CCCC1 7a_100000210136_100000179811 [0,1,0,1,0,0|0,0,0]=2 23255 B11R1.4 CCOCCOC1CCCC1 7a_100000210269_100011215890 [0,1,0,1,0,0|0,0,0]=2 23256 B11R1.4 CCOCCOC1CCCC1 7a_100000738311_100000210202 [0,1,0,1,0,0|0,0,0]=2 23257 B11R1.4 CCOCCOC1CCCO1 34a_100000085407_100000210147 [0,1,0,1,0,0|1,0,0]=3 23258 B11R1.4 CCOCCOC1CCOC1 34a_100000210136_100000690089 [0,1,0,1,0,0|1,0,0]=3 23259 B11R1.4 CCOCCOC1CCOC1 7a_100000210136_100000731011 [0,1,0,1,0,0|1,0,0]=3 23260 B11R1.4 CCOCCOC1CCSC1 7a_100011232664_100011215890 [0,1,0,1,0,0|1,0,0]=3 23261 B11R1.4 CCOCCO[C@H]1CCOC1 34a_100000717292_100000210147 [0,1,0,1,0,0|1,0,0]=3 23262 B11R1.4 CCOCCSC1CCCC1 62a_100000210147_100000179811 [0,1,0,1,0,0|0,1,0]=3 23263 B11R1.4 CCOCCSC1CCCC1 62a_100011217020_100011215890 [0,1,0,1,0,0|0,1,0]=3 23264 B11R1.4 CCOCCSC1CCOC1 62a_100000210147_100000690089 [0,1,0,1,0,0|1,1,0]=4 23265 B11R1.4 CCOCSCC1CCCC1 62a_100000739092_100000740388 [0,1,0,1,0,0|1,1,0]=4 23266 B11R1.4 CCOCSCC1CCCC1 62a_100000740388_100000739092 [0,1,0,1,0,0|1,1,0]=4 23267 B11R1.4 CCOCSCC1CCCO1 62a_100000203698_100000739092 [0,1,0,1,0,0|1,1,0]=4 23268 B11R1.4 CCOCSCC1CCCO1 62a_100000739092_100000203698 [0,1,0,1,0,0|1,1,0]=4 23269 B11R1.4 CCOCSCC1CCOC1 62a_100000702531_100000739092 [0,1,0,1,0,0|1,1,0]=4 23270 B11R1.4 CCOCSCC1CCOC1 62a_100000739092_100000702531 [0,1,0,1,0,0|1,1,0]=4 23271 B11R1.4 CCSCCCC1CCCC1 62a_100000210202_100011713738 [0,1,0,1,0,0|1,0,0]=3 23272 B11R1.4 CCSCCCC1CCCC1 62a_100011713738_100000210202 [0,1,0,1,0,0|1,0,0]=3 23273 B11R1.4 CCSCCCN1CCCC1 62a_100000210202_100011445909 [0,1,0,1,0,0|1,0,0]=3 23274 B11R1.4 CCSCCCN1CCCC1 62a_100016991639_100000210202 [0,1,0,1,0,0|1,0,0]=3 23275 B11R1.4 CCSCCNC1CCCC1 2230a_100000106463_100000179811 [0,1,0,1,0,0|1,0,0]=3 23276 B11R1.4 CCSCCNC1CCCC1 2230a_100000211070_100000757381 [0,1,0,1,0,0|1,0,0]=3 23277 B11R1.4 CCSCCNC1CCCC1 270004a_100000106463_100000210133 [0,1,0,1,0,0|1,0,0]=3 23278 B11R1.4 CCSCCNC1CCCC1 34a_100000211070_100000757381 [0,1,0,1,0,0|1,0,0]=3 23279 B11R1.4 CCSCCNC1CCOC1 2230a_100000106463_100000731011 [0,1,0,1,0,0|2,0,0]=4 23280 B11R1.4 CCSCCNC1CCOC1 270004a_100000106463_100000752484 [0,1,0,1,0,0|2,0,0]=4 23281 B11R1.4 CCSCCNC1CCSC1 270004a_100000106463_100000212027 [0,1,0,1,0,0|2,0,0]=4 23282 B11R1.4 CCSCCN[C@@H]1CCOC1 2230a_200015188469_100000757381 [0,1,0,1,0,0|2,0,0]=4 23283 B11R1.4 CCSCCN[C@H]1CCOC1 2230a_100015188467_100000757381 [0,1,0,1,0,0|2,0,0]=4 23284 B11R1.4 CCSCCN[C@H]1CCOC1 34a_100015188467_100000757381 [0,1,0,1,0,0|2,0,0]=4 23285 B11R1.4 CCSCCOC1CCCC1 34a_100000210269_100000757381 [0,1,0,1,0,0|0,0,0]=2 23286 B11R1.4 CCSCCOC1CCCC1 34a_100000212035_100000179811 [0,1,0,1,0,0|0,0,0]=2 23287 B11R1.4 CCSCCOC1CCCC1 7a_100000210269_100000757381 [0,1,0,1,0,0|0,0,0]=2 23288 B11R1.4 CCSCCOC1CCCC1 7a_100000212035_100000179811 [0,1,0,1,0,0|0,0,0]=2 23289 B11R1.4 CCSCCOC1CCCO1 34a_100000085407_100000757381 [0,1,0,1,0,0|1,0,0]=3 23290 B11R1.4 CCSCCOC1CCOC1 34a_100000212035_100000690089 [0,1,0,1,0,0|1,0,0]=3 23291 B11R1.4 CCSCCOC1CCOC1 7a_100000212035_100000731011 [0,1,0,1,0,0|1,0,0]=3 23292 B11R1.4 CCSCCOC1CCSC1 7a_100011232664_100000757381 [0,1,0,1,0,0|1,0,0]=3 23293 B11R1.4 CCSCCO[C@H]1CCOC1 34a_100000717292_100000757381 [0,1,0,1,0,0|1,0,0]=3 23294 B11R1.4 CCSCCSC1CCCC1 62a_100000757381_100000179811 [0,1,0,1,0,0|0,1,0]=3 23295 B11R1.4 CCSCCSC1CCCC1 62a_100011217020_100000757381 [0,1,0,1,0,0|0,1,0]=3 23296 B11R1.4 CCSCCSC1CCOC1 62a_100000757381_100000690089 [0,1,0,1,0,0|1,1,0]=4 23297 B11R1.4 CNCCCOC1CCCC1 34a_100000213112_100000179811 [0,1,0,1,0,0|0,0,0]=2 23298 B11R1.4 CNCCCOC1CCCC1 34a_100000747560_200000210301 [0,1,0,1,0,0|0,0,0]=2 23299 B11R1.4 CNCCCOC1CCOC1 34a_100000213112_100000690089 [0,1,0,1,0,0|1,0,0]=3 23300 B11R1.4 COCCCCN1CCCC1 2230a_100000188435_100000730899 [0,1,0,1,0,0|1,0,0]=3 23301 B11R1.4 COCCCCN1CCCC1 269982a_100000188435_100000730899 [0,1,0,1,0,0|1,0,0]=3 23302 B11R1.4 COCCCCN1CCSC1 2230a_100011215254_100000730899 [0,1,0,1,0,0|2,0,0]=4 23303 B11R1.4 COCCCCN1CCSC1 269982a_100011215254_100000730899 [0,1,0,1,0,0|2,0,0]=4 23304 B11R1.4 COCCCNC1CCCC1 2230a_100000211070_100000740836 [0,1,0,1,0,0|1,0,0]=3 23305 B11R1.4 COCCCNC1CCCC1 270004a_100150723488_100000210133 [0,1,0,1,0,0|1,0,0]=3 23306 B11R1.4 COCCCNC1CCCC1 34a_100000211070_100000740836 [0,1,0,1,0,0|1,0,0]=3 23307 B11R1.4 COCCCNC1CCCC1 34a_100150723488_100000179811 [0,1,0,1,0,0|1,0,0]=3 23308 B11R1.4 COCCCNC1CCOC1 270004a_100150723488_100000752484 [0,1,0,1,0,0|2,0,0]=4 23309 B11R1.4 COCCCNC1CCOC1 34a_100150723488_100000690089 [0,1,0,1,0,0|2,0,0]=4 23310 B11R1.4 COCCCNC1CCSC1 270004a_100150723488_100000212027 [0,1,0,1,0,0|2,0,0]=4 23311 B11R1.4 COCCCN[C@@H]1CCOC1 2230a_200015188469_100000740836 [0,1,0,1,0,0|2,0,0]=4 23312 B11R1.4 COCCCN[C@H]1CCOC1 2230a_100015188467_100000740836 [0,1,0,1,0,0|2,0,0]=4 23313 B11R1.4 COCCCN[C@H]1CCOC1 34a_100015188467_100000740836 [0,1,0,1,0,0|2,0,0]=4 23314 B11R1.4 COCCCOC1CCCC1 34a_100000210269_100000740836 [0,1,0,1,0,0|0,0,0]=2 23315 B11R1.4 COCCCOC1CCCC1 34a_100000740835_100000179811 [0,1,0,1,0,0|0,0,0]=2 23316 B11R1.4 COCCCOC1CCCC1 7a_100000210269_100000740836 [0,1,0,1,0,0|0,0,0]=2 23317 B11R1.4 COCCCOC1CCCO1 34a_100000085407_100000740836 [0,1,0,1,0,0|1,0,0]=3 23318 B11R1.4 COCCCOC1CCOC1 34a_100000740835_100000690089 [0,1,0,1,0,0|1,0,0]=3 23319 B11R1.4 COCCCOC1CCSC1 7a_100011232664_100000740836 [0,1,0,1,0,0|1,0,0]=3 23320 B11R1.4 COCCCO[C@H]1CCOC1 34a_100000717292_100000740836 [0,1,0,1,0,0|1,0,0]=3 23321 B11R1.4 COCCCSC1CCCC1 62a_100000709357_100000179811 [0,1,0,1,0,0|0,1,0]=3 23322 B11R1.4 COCCCSC1CCCC1 62a_100011217020_100000709357 [0,1,0,1,0,0|0,1,0]=3 23323 B11R1.4 COCCCSC1CCOC1 62a_100000709357_100000690089 [0,1,0,1,0,0|1,1,0]=4 23324 B11R1.4 COCCNCC1CCCC1 2230a_100000209980_100000740388 [0,1,0,1,0,0|2,0,0]=4 23325 B11R1.4 COCCNCC1CCCC1 2230a_100000737975_100011201679 [0,1,0,1,0,0|2,0,0]=4 23326 B11R1.4 COCCNCC1CCCC1 269862a_100000209980_100000746403 [0,1,0,1,0,0|2,0,0]=4 23327 B11R1.4 COCCNCC1CCCC1 34a_100000737975_100011201679 [0,1,0,1,0,0|2,0,0]=4 23328 B11R1.4 COCCNCC1CCCO1 2230a_100000209980_100000203698 [0,1,0,1,0,0|2,0,0]=4 23329 B11R1.4 COCCNCC1CCOC1 2230a_100000209980_100000702531 [0,1,0,1,0,0|2,0,0]=4 23330 B11R1.4 COCCNCC1CCOC1 2230a_100000737293_100011201679 [0,1,0,1,0,0|2,0,0]=4 23331 B11R1.4 COCCNCC1CCOC1 34a_100000737293_100011201679 [0,1,0,1,0,0|2,0,0]=4 23332 B11R1.4 COCCNC[C@@H]1CCCO1 2230a_100020590478_100011201679 [0,1,0,1,0,0|2,0,0]=4 23333 B11R1.4 COCCNC[C@@H]1CCCO1 34a_100020590478_100011201679 [0,1,0,1,0,0|2,0,0]=4 23334 B11R1.4 COCCOCC1CC=CC1 34a_100000688395_100011201679 [0,1,0,1,0,0|1,0,1]=4 23335 B11R1.4 COCCOCC1CCCC1 34a_100000210237_100000740388 [0,1,0,1,0,0|1,0,0]=3 23336 B11R1.4 COCCOCC1CCCC1 34a_100000742336_100011201679 [0,1,0,1,0,0|1,0,0]=3 23337 B11R1.4 COCCOCC1CCCC1 7a_100000742336_100000233755 [0,1,0,1,0,0|1,0,0]=3 23338 B11R1.4 COCCOCC1CCCO1 34a_100000210270_100011201679 [0,1,0,1,0,0|1,0,0]=3 23339 B11R1.4 COCCOCC1CCCO1 7a_100000210270_100000233755 [0,1,0,1,0,0|1,0,0]=3 23340 B11R1.4 COCCOCC1CCNC1 34a_100000748654_100011201679 [0,1,0,1,0,0|1,0,0]=3 23341 B11R1.4 COCCOCC1CCOC1 34a_100000210237_100011261433 [0,1,0,1,0,0|1,0,0]=3 23342 B11R1.4 COCCOCC1CCOC1 34a_100000740260_100011201679 [0,1,0,1,0,0|1,0,0]=3 23343 B11R1.4 COCCOCC1COCO1 34a_100011216627_100011201679 [0,1,0,1,0,0|2,0,0]=4 23344 B11R1.4 COCCOCC1OCCO1 34a_100000087154_100011201679 [0,1,0,1,0,0|2,0,0]=4 23345 B11R1.4 COCCOCC1OCCO1 34a_100000210237_100000755774 [0,1,0,1,0,0|2,0,0]=4 23346 B11R1.4 COCCOCN1CCCC1 2230a_100000188435_100000231047 [0,1,0,1,0,0|1,0,0]=3 23347 B11R1.4 COCCOCN1CCCC1 269982a_100000188435_100000231047 [0,1,0,1,0,0|1,0,0]=3 23348 B11R1.4 COCCOCN1CCSC1 2230a_100011215254_100000231047 [0,1,0,1,0,0|2,0,0]=4 23349 B11R1.4 COCCOCN1CCSC1 269982a_100011215254_100000231047 [0,1,0,1,0,0|2,0,0]=4 23350 B11R1.4 COCCOC[C@H]1CCCN1 34a_100000745186_100011201679 [0,1,0,1,0,0|1,0,0]=3 23351 B11R1.4 COCCSCC1CCCC1 62a_100000233755_100000740388 [0,1,0,1,0,0|1,1,0]=4 23352 B11R1.4 COCCSCC1CCCC1 62a_100000740388_100000233755 [0,1,0,1,0,0|1,1,0]=4 23353 B11R1.4 COCCSCC1CCCO1 62a_100000203698_100000233755 [0,1,0,1,0,0|1,1,0]=4 23354 B11R1.4 COCCSCC1CCCO1 62a_100000233755_100000203698 [0,1,0,1,0,0|1,1,0]=4 23355 B11R1.4 COCCSCC1CCOC1 62a_100000233755_100000702531 [0,1,0,1,0,0|1,1,0]=4 23356 B11R1.4 COCCSCC1CCOC1 62a_100000702531_100000233755 [0,1,0,1,0,0|1,1,0]=4 23357 B11R1.4 COCNCCC1CCCC1 2230a_100000739158_100000766300 [0,1,0,1,0,0|2,0,0]=4 23358 B11R1.4 COCSCCC1CCCC1 62a_100000760354_100000766300 [0,1,0,1,0,0|2,0,0]=4 23359 B11R1.4 COCSCCC1CCCC1 62a_100000766300_100000760354 [0,1,0,1,0,0|2,0,0]=4 23360 B11R1.4 COCSCCN1CCCC1 62a_100000700749_100000766300 [0,1,0,1,0,0|2,0,0]=4 23361 B11R1.4 COCSCCN1CCCC1 62a_100000766300_100000004467 [0,1,0,1,0,0|2,0,0]=4 23362 B11R1.4 CSCCCNC1CCCC1 2230a_100000749238_100000179811 [0,1,0,1,0,0|1,0,0]=3 23363 B11R1.4 CSCCCNC1CCCC1 270004a_100000749238_100000210133 [0,1,0,1,0,0|1,0,0]=3 23364 B11R1.4 CSCCCNC1CCOC1 2230a_100000749238_100000731011 [0,1,0,1,0,0|2,0,0]=4 23365 B11R1.4 CSCCCNC1CCOC1 270004a_100000749238_100000752484 [0,1,0,1,0,0|2,0,0]=4 23366 B11R1.4 CSCCCNC1CCSC1 270004a_100000749238_100000212027 [0,1,0,1,0,0|2,0,0]=4 23367 B11R1.4 CSCCCOC1CCCC1 34a_100000690336_100000179811 [0,1,0,1,0,0|0,0,0]=2 23368 B11R1.4 CSCCCOC1CCCC1 7a_100000690336_100000179811 [0,1,0,1,0,0|0,0,0]=2 23369 B11R1.4 CSCCCOC1CCOC1 34a_100000690336_100000690089 [0,1,0,1,0,0|1,0,0]=3 23370 B11R1.4 CSCCCOC1CCOC1 7a_100000690336_100000731011 [0,1,0,1,0,0|1,0,0]=3 23371 B11R1.4 CSCCNCC1CCCC1 2230a_100000737975_100000751147 [0,1,0,1,0,0|2,0,0]=4 23372 B11R1.4 CSCCNCC1CCCC1 2230a_100020590264_100000740388 [0,1,0,1,0,0|2,0,0]=4 23373 B11R1.4 CSCCNCC1CCCC1 269862a_100020590264_100000746403 [0,1,0,1,0,0|2,0,0]=4 23374 B11R1.4 CSCCNCC1CCCC1 34a_100000737975_100000212216 [0,1,0,1,0,0|2,0,0]=4 23375 B11R1.4 CSCCNCC1CCCO1 2230a_100020590264_100000203698 [0,1,0,1,0,0|2,0,0]=4 23376 B11R1.4 CSCCNCC1CCOC1 2230a_100000737293_100000751147 [0,1,0,1,0,0|2,0,0]=4 23377 B11R1.4 CSCCNCC1CCOC1 2230a_100020590264_100000702531 [0,1,0,1,0,0|2,0,0]=4 23378 B11R1.4 CSCCNCC1CCOC1 34a_100000737293_100000212216 [0,1,0,1,0,0|2,0,0]=4 23379 B11R1.4 CSCCNC[C@@H]1CCCO1 2230a_100020590478_100000751147 [0,1,0,1,0,0|2,0,0]=4 23380 B11R1.4 CSCCNC[C@@H]1CCCO1 34a_100020590478_100000212216 [0,1,0,1,0,0|2,0,0]=4 23381 B11R1.4 CSCCOCC1CC=CC1 34a_100000688395_100000212216 [0,1,0,1,0,0|1,0,1]=4 23382 B11R1.4 CSCCOCC1CCCC1 34a_100000230434_100000740388 [0,1,0,1,0,0|1,0,0]=3 23383 B11R1.4 CSCCOCC1CCCC1 34a_100000742336_100000212216 [0,1,0,1,0,0|1,0,0]=3 23384 B11R1.4 CSCCOCC1CCCC1 7a_100000230434_100000740388 [0,1,0,1,0,0|1,0,0]=3 23385 B11R1.4 CSCCOCC1CCCC1 7a_100000742336_100000212216 [0,1,0,1,0,0|1,0,0]=3 23386 B11R1.4 CSCCOCC1CCCO1 34a_100000210270_100000212216 [0,1,0,1,0,0|1,0,0]=3 23387 B11R1.4 CSCCOCC1CCCO1 7a_100000210270_100000212216 [0,1,0,1,0,0|1,0,0]=3 23388 B11R1.4 CSCCOCC1CCCO1 7a_100000230434_100000203698 [0,1,0,1,0,0|1,0,0]=3 23389 B11R1.4 CSCCOCC1CCNC1 34a_100000748654_100000212216 [0,1,0,1,0,0|1,0,0]=3 23390 B11R1.4 CSCCOCC1CCOC1 34a_100000230434_100011261433 [0,1,0,1,0,0|1,0,0]=3 23391 B11R1.4 CSCCOCC1CCOC1 34a_100000740260_100000212216 [0,1,0,1,0,0|1,0,0]=3 23392 B11R1.4 CSCCOCC1CCOC1 7a_100000230434_100000702531 [0,1,0,1,0,0|1,0,0]=3 23393 B11R1.4 CSCCOCC1COCO1 34a_100011216627_100000212216 [0,1,0,1,0,0|2,0,0]=4 23394 B11R1.4 CSCCOCC1OCCO1 34a_100000087154_100000212216 [0,1,0,1,0,0|2,0,0]=4 23395 B11R1.4 CSCCOCC1OCCO1 34a_100000230434_100000755774 [0,1,0,1,0,0|2,0,0]=4 23396 B11R1.4 CSCCOCC1OCCO1 7a_100000230434_100000755774 [0,1,0,1,0,0|2,0,0]=4 23397 B11R1.4 CSCCOC[C@H]1CCCN1 34a_100000745186_100000212216 [0,1,0,1,0,0|1,0,0]=3 23398 B11R1.4 CSCCSCC1CCCC1 62a_100000212216_100000740388 [0,1,0,1,0,0|1,1,0]=4 23399 B11R1.4 CSCCSCC1CCCC1 62a_100000740388_100000751147 [0,1,0,1,0,0|1,1,0]=4 23400 B11R1.4 CSCCSCC1CCCO1 62a_100000203698_100000751147 [0,1,0,1,0,0|1,1,0]=4 23401 B11R1.4 CSCCSCC1CCCO1 62a_100000212216_100000203698 [0,1,0,1,0,0|1,1,0]=4 23402 B11R1.4 CSCCSCC1CCOC1 62a_100000212216_100000702531 [0,1,0,1,0,0|1,1,0]=4 23403 B11R1.4 CSCCSCC1CCOC1 62a_100000702531_100000751147 [0,1,0,1,0,0|1,1,0]=4 23404 B11R1.4 CSCNCCC1CCCC1 2230a_100000739158_100011218213 [0,1,0,1,0,0|2,0,0]=4 23405 B11R1.4 CSCNCCC1CCCC1 34a_100000739158_100011218213 [0,1,0,1,0,0|2,0,0]=4 23406 B11R1.4 CSCOCCC1CCCC1 34a_100000749090_100011218213 [0,1,0,1,0,0|2,0,0]=4 23407 B11R1.4 CSCSCCC1CCCC1 62a_100000760354_100011218213 [0,1,0,1,0,0|2,0,0]=4 23408 B11R1.4 CSCSCCC1CCCC1 62a_100011218213_100000760354 [0,1,0,1,0,0|2,0,0]=4 23409 B11R1.4 CSCSCCN1CCCC1 62a_100000700749_100011218213 [0,1,0,1,0,0|2,0,0]=4 23410 B11R1.4 CSCSCCN1CCCC1 62a_100011218213_100000004467 [0,1,0,1,0,0|2,0,0]=4 23411 B11R1.4 ClCC#CCOC1CCCC1 34a_200000047223_100000179811 [0,1,0,1,0,0|0,0,2]=4 23412 B11R1.4 ClCCCCOC1CCCC1 34a_100000210776_100000179811 [0,1,0,1,0,0|0,0,0]=2 23413 B11R1.4 ClCCCCOC1CCCC1 7a_100000210776_100000179811 [0,1,0,1,0,0|0,0,0]=2 23414 B11R1.4 ClCCCCOC1CCOC1 34a_100000210776_100000690089 [0,1,0,1,0,0|1,0,0]=3 23415 B11R1.4 ClCCCCOC1CCOC1 7a_100000210776_100000731011 [0,1,0,1,0,0|1,0,0]=3 23416 B11R1.4 ClCCCOCC1CCCC1 34a_100000230001_100000740388 [0,1,0,1,0,0|1,0,0]=3 23417 B11R1.4 ClCCCOCC1CCOC1 34a_100000230001_100011261433 [0,1,0,1,0,0|1,0,0]=3 23418 B11R1.4 ClCCCOCC1OCCO1 34a_100000230001_100000755774 [0,1,0,1,0,0|2,0,0]=4 23419 B11R1.4 FCCCCCN1CCCC1 2230a_100000188435_100000729378 [0,1,0,1,0,0|1,0,0]=3 23420 B11R1.4 FCCCCCN1CCCC1 269982a_100000188435_100000729378 [0,1,0,1,0,0|1,0,0]=3 23421 B11R1.4 FCCCCCN1CCSC1 2230a_100011215254_100000729378 [0,1,0,1,0,0|2,0,0]=4 23422 B11R1.4 FCCCCCN1CCSC1 269982a_100011215254_100000729378 [0,1,0,1,0,0|2,0,0]=4 23423 B11R1.4 FCCCCNC1CCCC1 2230a_100000211070_100000729493 [0,1,0,1,0,0|1,0,0]=3 23424 B11R1.4 FCCCCNC1CCCC1 34a_100000211070_100000729493 [0,1,0,1,0,0|1,0,0]=3 23425 B11R1.4 FCCCCN[C@@H]1CCOC1 2230a_200015188469_100000729493 [0,1,0,1,0,0|2,0,0]=4 23426 B11R1.4 FCCCCN[C@H]1CCOC1 2230a_100015188467_100000729493 [0,1,0,1,0,0|2,0,0]=4 23427 B11R1.4 FCCCCN[C@H]1CCOC1 34a_100015188467_100000729493 [0,1,0,1,0,0|2,0,0]=4 23428 B11R1.4 FCCCCOC1CCCC1 34a_100000210269_100000729493 [0,1,0,1,0,0|0,0,0]=2 23429 B11R1.4 FCCCCOC1CCCC1 34a_100011995726_100000179811 [0,1,0,1,0,0|0,0,0]=2 23430 B11R1.4 FCCCCOC1CCCC1 7a_100000210269_100000729493 [0,1,0,1,0,0|0,0,0]=2 23431 B11R1.4 FCCCCOC1CCCC1 7a_100011995726_100000179811 [0,1,0,1,0,0|0,0,0]=2 23432 B11R1.4 FCCCCOC1CCCO1 34a_100000085407_100000729493 [0,1,0,1,0,0|1,0,0]=3 23433 B11R1.4 FCCCCOC1CCOC1 34a_100011995726_100000690089 [0,1,0,1,0,0|1,0,0]=3 23434 B11R1.4 FCCCCOC1CCOC1 7a_100011995726_100000731011 [0,1,0,1,0,0|1,0,0]=3 23435 B11R1.4 FCCCCOC1CCSC1 7a_100011232664_100000729493 [0,1,0,1,0,0|1,0,0]=3 23436 B11R1.4 FCCCCO[C@H]1CCOC1 34a_100000717292_100000729493 [0,1,0,1,0,0|1,0,0]=3 23437 B11R1.4 FCCCCSC1CCCC1 62a_100000729493_100000179811 [0,1,0,1,0,0|0,1,0]=3 23438 B11R1.4 FCCCCSC1CCCC1 62a_100011217020_100000729493 [0,1,0,1,0,0|0,1,0]=3 23439 B11R1.4 FCCCCSC1CCOC1 62a_100000729493_100000690089 [0,1,0,1,0,0|1,1,0]=4 23440 B11R1.4 FCCCNCC1CCCC1 2230a_100000737975_100011934791 [0,1,0,1,0,0|2,0,0]=4 23441 B11R1.4 FCCCNCC1CCCC1 2230a_100015189416_100000740388 [0,1,0,1,0,0|2,0,0]=4 23442 B11R1.4 FCCCNCC1CCCC1 269862a_100015189416_100000746403 [0,1,0,1,0,0|2,0,0]=4 23443 B11R1.4 FCCCNCC1CCCC1 34a_100000737975_100011934791 [0,1,0,1,0,0|2,0,0]=4 23444 B11R1.4 FCCCNCC1CCCC1 34a_100015189416_100000740388 [0,1,0,1,0,0|2,0,0]=4 23445 B11R1.4 FCCCNCC1CCCO1 2230a_100015189416_100000203698 [0,1,0,1,0,0|2,0,0]=4 23446 B11R1.4 FCCCNCC1CCOC1 2230a_100000737293_100011934791 [0,1,0,1,0,0|2,0,0]=4 23447 B11R1.4 FCCCNCC1CCOC1 2230a_100015189416_100000702531 [0,1,0,1,0,0|2,0,0]=4 23448 B11R1.4 FCCCNCC1CCOC1 34a_100000737293_100011934791 [0,1,0,1,0,0|2,0,0]=4 23449 B11R1.4 FCCCNCC1CCOC1 34a_100015189416_100011261433 [0,1,0,1,0,0|2,0,0]=4 23450 B11R1.4 FCCCNC[C@@H]1CCCO1 2230a_100020590478_100011934791 [0,1,0,1,0,0|2,0,0]=4 23451 B11R1.4 FCCCNC[C@@H]1CCCO1 34a_100020590478_100011934791 [0,1,0,1,0,0|2,0,0]=4 23452 B11R1.4 FCCCOCC1CC=CC1 34a_100000688395_100011934791 [0,1,0,1,0,0|1,0,1]=4 23453 B11R1.4 FCCCOCC1CCCC1 34a_100000742336_100011934791 [0,1,0,1,0,0|1,0,0]=3 23454 B11R1.4 FCCCOCC1CCCC1 34a_100000759539_100000740388 [0,1,0,1,0,0|1,0,0]=3 23455 B11R1.4 FCCCOCC1CCCC1 7a_100000742336_100011934791 [0,1,0,1,0,0|1,0,0]=3 23456 B11R1.4 FCCCOCC1CCCO1 34a_100000210270_100011934791 [0,1,0,1,0,0|1,0,0]=3 23457 B11R1.4 FCCCOCC1CCCO1 7a_100000210270_100011934791 [0,1,0,1,0,0|1,0,0]=3 23458 B11R1.4 FCCCOCC1CCNC1 34a_100000748654_100011934791 [0,1,0,1,0,0|1,0,0]=3 23459 B11R1.4 FCCCOCC1CCOC1 34a_100000740260_100011934791 [0,1,0,1,0,0|1,0,0]=3 23460 B11R1.4 FCCCOCC1CCOC1 34a_100000759539_100011261433 [0,1,0,1,0,0|1,0,0]=3 23461 B11R1.4 FCCCOCC1COCO1 34a_100011216627_100011934791 [0,1,0,1,0,0|2,0,0]=4 23462 B11R1.4 FCCCOCC1OCCO1 34a_100000087154_100011934791 [0,1,0,1,0,0|2,0,0]=4 23463 B11R1.4 FCCCOCC1OCCO1 34a_100000759539_100000755774 [0,1,0,1,0,0|2,0,0]=4 23464 B11R1.4 FCCCOC[C@H]1CCCN1 34a_100000745186_100011934791 [0,1,0,1,0,0|1,0,0]=3 23465 B11R1.4 FCCCSCC1CCCC1 62a_100000740388_100011934791 [0,1,0,1,0,0|1,1,0]=4 23466 B11R1.4 FCCCSCC1CCCC1 62a_100011934791_100000740388 [0,1,0,1,0,0|1,1,0]=4 23467 B11R1.4 FCCCSCC1CCCO1 62a_100000203698_100011934791 [0,1,0,1,0,0|1,1,0]=4 23468 B11R1.4 FCCCSCC1CCCO1 62a_100011934791_100000203698 [0,1,0,1,0,0|1,1,0]=4 23469 B11R1.4 FCCCSCC1CCOC1 62a_100000702531_100011934791 [0,1,0,1,0,0|1,1,0]=4 23470 B11R1.4 FCCCSCC1CCOC1 62a_100011934791_100000702531 [0,1,0,1,0,0|1,1,0]=4 23471 B11R1.4 FCCNCCC1CCCC1 2230a_100000739158_100011217306 [0,1,0,1,0,0|2,0,0]=4 23472 B11R1.4 FCCNCCC1CCCC1 34a_100000724931_100000760354 [0,1,0,1,0,0|2,0,0]=4 23473 B11R1.4 FCCNCCC1CCCC1 34a_100000739158_100011217306 [0,1,0,1,0,0|2,0,0]=4 23474 B11R1.4 FCCOCCC1CCCC1 34a_100000749090_100011217306 [0,1,0,1,0,0|2,0,0]=4 23475 B11R1.4 FCCOCCC1CCCC1 7a_100000749090_100011217306 [0,1,0,1,0,0|2,0,0]=4 23476 B11R1.4 FCCSCCC1CCCC1 62a_100000760354_100011217306 [0,1,0,1,0,0|2,0,0]=4 23477 B11R1.4 FCCSCCC1CCCC1 62a_100011217306_100000760354 [0,1,0,1,0,0|2,0,0]=4 23478 B11R1.4 FCCSCCN1CCCC1 62a_100000700749_100011217306 [0,1,0,1,0,0|2,0,0]=4 23479 B11R1.4 FCCSCCN1CCCC1 62a_100011217306_100000004467 [0,1,0,1,0,0|2,0,0]=4 23480 B11R1.4 FCNCCCC1CCCC1 34a_100000736752_100015361967 [0,1,0,1,0,0|2,0,0]=4 23481 B11R1.4 FCNCCOC1CCCC1 34a_100000741755_100015361967 [0,1,0,1,0,0|1,0,0]=3 23482 B11R1.4 FCOCCCC1CCCC1 34a_100011215328_100015361967 [0,1,0,1,0,0|2,0,0]=4 23483 B11R1.4 FCOCCCC1CCCC1 7a_100011215328_100015361967 [0,1,0,1,0,0|2,0,0]=4 23484 B11R1.4 FCOCCNC1CCCC1 34a_200000200444_100015361967 [0,1,0,1,0,0|2,0,0]=4 23485 B11R1.4 FCOCCOC1CCCC1 34a_100000738311_100015361967 [0,1,0,1,0,0|1,0,0]=3 23486 B11R1.4 FCOCCOC1CCCC1 7a_100000738311_100015361967 [0,1,0,1,0,0|1,0,0]=3 23487 B11R1.4 FCSCCCC1CCCC1 62a_100011713738_100015361967 [0,1,0,1,0,0|2,0,0]=4 23488 B11R1.4 FCSCCCC1CCCC1 62a_100015361967_100011713738 [0,1,0,1,0,0|2,0,0]=4 23489 B11R1.4 FCSCCCN1CCCC1 62a_100015361967_100011445909 [0,1,0,1,0,0|2,0,0]=4 23490 B11R1.4 FCSCCCN1CCCC1 62a_100016991639_100015361967 [0,1,0,1,0,0|2,0,0]=4 23491 B11R1.4 ICCCCOC1CCCC1 34a_200012148704_100000179811 [0,1,0,1,0,0|0,0,0]=2 23492 B11R1.4 ICCCCOC1CCOC1 34a_200012148704_100000690089 [0,1,0,1,0,0|1,0,0]=3 23493 B11R1.4 N#CCCCCN1CCCC1 2230a_100000188435_100000211819 [0,1,0,1,0,0|1,0,1]=4 23494 B11R1.4 N#CCCCCN1CCCC1 269982a_100000188435_100011219923 [0,1,0,1,0,0|1,0,1]=4 23495 B11R1.4 N#CCCCNC1CCCC1 2230a_100000211070_100000687738 [0,1,0,1,0,0|1,0,1]=4 23496 B11R1.4 N#CCCCOC1CCCC1 7a_100000210269_100000687738 [0,1,0,1,0,0|0,0,1]=3 23497 B11R1.4 N#CCCCOC1CCSC1 7a_100011232664_100000687738 [0,1,0,1,0,0|1,0,1]=4 23498 B11R1.4 N#CCCCSC1CCCC1 62a_100000687738_100000179811 [0,1,0,1,0,0|0,1,1]=4 23499 B11R1.4 N#CCCCSC1CCCC1 62a_100011217020_100000687738 [0,1,0,1,0,0|0,1,1]=4 23500 B11R1.4 N#CCCOCC1CCCC1 7a_100000742336_100000184422 [0,1,0,1,0,0|1,0,1]=4 23501 B11R1.4 N#CCCOCC1CCCO1 7a_100000210270_100000184422 [0,1,0,1,0,0|1,0,1]=4 23502 B11R1.4 NCCCCOC1CCCC1 34a_100000750430_100000179811 [0,1,0,1,0,0|0,0,0]=2 23503 B11R1.4 NCCCCOC1CCOC1 34a_100000750430_100000690089 [0,1,0,1,0,0|1,0,0]=3 23504 B11R1.4 NCCCOCC1CCCC1 34a_100000182051_100000740388 [0,1,0,1,0,0|1,0,0]=3 23505 B11R1.4 NCCCOCC1CCOC1 34a_100000182051_100011261433 [0,1,0,1,0,0|1,0,0]=3 23506 B11R1.4 NCCCOCC1OCCO1 34a_100000182051_100000755774 [0,1,0,1,0,0|2,0,0]=4 23507 B11R1.4 NCCOCCC1CCCC1 34a_100000210304_100000760354 [0,1,0,1,0,0|2,0,0]=4 23508 B11R1.4 NOCCOCC1CCCC1 34a_100000700252_100000740388 [0,1,0,1,0,0|2,0,0]=4 23509 B11R1.4 NOCCOCC1CCOC1 34a_100000700252_100011261433 [0,1,0,1,0,0|2,0,0]=4 23510 B11R1.4 O=CCCCCN1CCCC1 2230a_100000188435_100000139335 [0,1,0,1,0,0|1,0,1]=4 23511 B11R1.4 O=CCCCCN1CCCC1 269982a_100000188435_100000139335 [0,1,0,1,0,0|1,0,1]=4 23512 B11R1.4 O=CCCCNC1CCCC1 2230a_100000211070_200011292268 [0,1,0,1,0,0|1,0,1]=4 23513 B11R1.4 O=CCCCOC1CCCC1 7a_100000210269_200011292268 [0,1,0,1,0,0|0,0,1]=3 23514 B11R1.4 O=CCCCOC1CCSC1 7a_100011232664_200011292268 [0,1,0,1,0,0|1,0,1]=4 23515 B11R1.4 O=CCCCSC1CCCC1 62a_100011217020_200011292268 [0,1,0,1,0,0|0,1,1]=4 23516 B11R1.4 O=CCCCSC1CCCC1 62a_200011292268_100000179811 [0,1,0,1,0,0|0,1,1]=4 23517 B11R1.4 OCC#CCOC1CCCC1 34a_100000210269_200000047223 [0,1,0,1,0,0|0,0,2]=4 23518 B11R1.4 OCC#CCOC1CCCC1 7a_100000210269_200000047223 [0,1,0,1,0,0|0,0,2]=4 23519 B11R1.4 OCCCCCN1CCCC1 2230a_100000188435_100000746330 [0,1,0,1,0,0|1,0,0]=3 23520 B11R1.4 OCCCCCN1CCCC1 269982a_100000188435_100000746330 [0,1,0,1,0,0|1,0,0]=3 23521 B11R1.4 OCCCCCN1CCSC1 2230a_100011215254_100000746330 [0,1,0,1,0,0|2,0,0]=4 23522 B11R1.4 OCCCCCN1CCSC1 269982a_100011215254_100000746330 [0,1,0,1,0,0|2,0,0]=4 23523 B11R1.4 OCCCCNC1CCCC1 2230a_100000211070_100000210776 [0,1,0,1,0,0|1,0,0]=3 23524 B11R1.4 OCCCCNC1CCCC1 2230a_100000750430_100000179811 [0,1,0,1,0,0|1,0,0]=3 23525 B11R1.4 OCCCCNC1CCCC1 270004a_100000750430_100000210133 [0,1,0,1,0,0|1,0,0]=3 23526 B11R1.4 OCCCCNC1CCCC1 34a_100000211070_100011216708 [0,1,0,1,0,0|1,0,0]=3 23527 B11R1.4 OCCCCNC1CCCC1 34a_100000750430_100000179811 [0,1,0,1,0,0|1,0,0]=3 23528 B11R1.4 OCCCCNC1CCOC1 2230a_100000750430_100000731011 [0,1,0,1,0,0|2,0,0]=4 23529 B11R1.4 OCCCCNC1CCOC1 270004a_100000750430_100000752484 [0,1,0,1,0,0|2,0,0]=4 23530 B11R1.4 OCCCCNC1CCOC1 34a_100000750430_100000690089 [0,1,0,1,0,0|2,0,0]=4 23531 B11R1.4 OCCCCNC1CCSC1 270004a_100000750430_100000212027 [0,1,0,1,0,0|2,0,0]=4 23532 B11R1.4 OCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210776 [0,1,0,1,0,0|2,0,0]=4 23533 B11R1.4 OCCCCN[C@H]1CCOC1 2230a_100015188467_100000210776 [0,1,0,1,0,0|2,0,0]=4 23534 B11R1.4 OCCCCN[C@H]1CCOC1 34a_100015188467_100011216708 [0,1,0,1,0,0|2,0,0]=4 23535 B11R1.4 OCCCCOC1CCCC1 34a_100000210269_100011216708 [0,1,0,1,0,0|0,0,0]=2 23536 B11R1.4 OCCCCOC1CCCC1 7a_100000210269_100000210776 [0,1,0,1,0,0|0,0,0]=2 23537 B11R1.4 OCCCCOC1CCCO1 34a_100000085407_100011216708 [0,1,0,1,0,0|1,0,0]=3 23538 B11R1.4 OCCCCOC1CCSC1 7a_100011232664_100000210776 [0,1,0,1,0,0|1,0,0]=3 23539 B11R1.4 OCCCCO[C@H]1CCOC1 34a_100000717292_100011216708 [0,1,0,1,0,0|1,0,0]=3 23540 B11R1.4 OCCCCSC1CCCC1 62a_100000210776_100000179811 [0,1,0,1,0,0|0,1,0]=3 23541 B11R1.4 OCCCCSC1CCCC1 62a_100011217020_100000210776 [0,1,0,1,0,0|0,1,0]=3 23542 B11R1.4 OCCCCSC1CCOC1 62a_100000210776_100000690089 [0,1,0,1,0,0|1,1,0]=4 23543 B11R1.4 OCCCNCC1CCCC1 2230a_100000737975_100000230001 [0,1,0,1,0,0|2,0,0]=4 23544 B11R1.4 OCCCNCC1CCCC1 269862a_100000182051_100000746403 [0,1,0,1,0,0|2,0,0]=4 23545 B11R1.4 OCCCNCC1CCCC1 34a_100000737975_100000230001 [0,1,0,1,0,0|2,0,0]=4 23546 B11R1.4 OCCCNCC1CCOC1 2230a_100000737293_100000230001 [0,1,0,1,0,0|2,0,0]=4 23547 B11R1.4 OCCCNCC1CCOC1 34a_100000737293_100000230001 [0,1,0,1,0,0|2,0,0]=4 23548 B11R1.4 OCCCNC[C@@H]1CCCO1 2230a_100020590478_100000230001 [0,1,0,1,0,0|2,0,0]=4 23549 B11R1.4 OCCCNC[C@@H]1CCCO1 34a_100020590478_100000230001 [0,1,0,1,0,0|2,0,0]=4 23550 B11R1.4 OCCCOCC1CC=CC1 34a_100000688395_100000230001 [0,1,0,1,0,0|1,0,1]=4 23551 B11R1.4 OCCCOCC1CCCC1 34a_100000742336_100000230001 [0,1,0,1,0,0|1,0,0]=3 23552 B11R1.4 OCCCOCC1CCCC1 7a_100000742336_100011215043 [0,1,0,1,0,0|1,0,0]=3 23553 B11R1.4 OCCCOCC1CCCO1 34a_100000210270_100000230001 [0,1,0,1,0,0|1,0,0]=3 23554 B11R1.4 OCCCOCC1CCCO1 7a_100000210270_100011215043 [0,1,0,1,0,0|1,0,0]=3 23555 B11R1.4 OCCCOCC1CCNC1 34a_100000748654_100000230001 [0,1,0,1,0,0|1,0,0]=3 23556 B11R1.4 OCCCOCC1CCOC1 34a_100000740260_100000230001 [0,1,0,1,0,0|1,0,0]=3 23557 B11R1.4 OCCCOCC1COCO1 34a_100011216627_100000230001 [0,1,0,1,0,0|2,0,0]=4 23558 B11R1.4 OCCCOCC1OCCO1 34a_100000087154_100000230001 [0,1,0,1,0,0|2,0,0]=4 23559 B11R1.4 OCCCOC[C@H]1CCCN1 34a_100000745186_100000230001 [0,1,0,1,0,0|1,0,0]=3 23560 B11R1.4 OCCCSCC1CCCC1 62a_100000740388_100011215043 [0,1,0,1,0,0|1,1,0]=4 23561 B11R1.4 OCCCSCC1CCCC1 62a_100011215043_100000740388 [0,1,0,1,0,0|1,1,0]=4 23562 B11R1.4 OCCCSCC1CCCO1 62a_100000203698_100011215043 [0,1,0,1,0,0|1,1,0]=4 23563 B11R1.4 OCCCSCC1CCCO1 62a_100011215043_100000203698 [0,1,0,1,0,0|1,1,0]=4 23564 B11R1.4 OCCCSCC1CCOC1 62a_100000702531_100011215043 [0,1,0,1,0,0|1,1,0]=4 23565 B11R1.4 OCCCSCC1CCOC1 62a_100011215043_100000702531 [0,1,0,1,0,0|1,1,0]=4 23566 B11R1.4 OCCNCCC1CCCC1 2230a_100000739158_100000211926 [0,1,0,1,0,0|2,0,0]=4 23567 B11R1.4 OCCNCCC1CCCC1 2230a_100016997473_100000760354 [0,1,0,1,0,0|2,0,0]=4 23568 B11R1.4 OCCNCCC1CCCC1 34a_100000739158_100000211926 [0,1,0,1,0,0|2,0,0]=4 23569 B11R1.4 OCCNCCC1CCCC1 34a_100016990907_100000760354 [0,1,0,1,0,0|2,0,0]=4 23570 B11R1.4 OCCOCCC1CCCC1 34a_100000749090_100000211926 [0,1,0,1,0,0|2,0,0]=4 23571 B11R1.4 OCCOCCC1CCCC1 7a_100000749090_100000211926 [0,1,0,1,0,0|2,0,0]=4 23572 B11R1.4 OCCOCCN1CCCC1 2230a_100000188435_100011215305 [0,1,0,1,0,0|2,0,0]=4 23573 B11R1.4 OCCOCCN1CCCC1 269982a_100000188435_100011215305 [0,1,0,1,0,0|2,0,0]=4 23574 B11R1.4 OCCSCCC1CCCC1 62a_100000211926_100000760354 [0,1,0,1,0,0|2,0,0]=4 23575 B11R1.4 OCCSCCC1CCCC1 62a_100000760354_100000211926 [0,1,0,1,0,0|2,0,0]=4 23576 B11R1.4 OCCSCCN1CCCC1 62a_100000211926_100000004467 [0,1,0,1,0,0|2,0,0]=4 23577 B11R1.4 OCCSCCN1CCCC1 62a_100000700749_100000211926 [0,1,0,1,0,0|2,0,0]=4 23578 B11R1.4 [13CH3]NCCCOC1CCCC1 34a_100000747560_200025704644 [0,1,0,1,0,0|0,0,0]=2 23579 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [0,1,0,1,0,0|1,0,1]=4 23580 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [0,1,0,1,0,0|1,0,1]=4 23581 B11R1.16 CCCC(=O)C1CCCCO1 1458a_100000748299_100000210303 [0,1,0,1,0,0|0,0,1]=3 23582 B11R1.16 CCCC(=O)C1COCCO1 1458a_100000045528_100000210303 [0,1,0,1,0,0|1,0,1]=4 23583 B11R1.16 CCCC(C)N1CCCOC1 2230a_100000131196_100000766640 [0,1,0,1,0,0|2,0,0]=4 23584 B11R1.16 CCCC(C)N1CCCOC1 269982a_100000131196_100000766640 [0,1,0,1,0,0|2,0,0]=4 23585 B11R1.16 CCCC(C)N1CCCOC1 270004a_100000131196_100000211909 [0,1,0,1,0,0|2,0,0]=4 23586 B11R1.16 CCCC(C)N1CCCOC1 34a_100000131196_100000766640 [0,1,0,1,0,0|2,0,0]=4 23587 B11R1.16 CCCC(C)N1CCOCC1 2230a_100015191051_100000766640 [0,1,0,1,0,0|2,0,0]=4 23588 B11R1.16 CCCC(C)N1CCOCC1 269982a_100015191051_100000766640 [0,1,0,1,0,0|2,0,0]=4 23589 B11R1.16 CCCC(C)N1CCOCC1 270004a_100015191051_100000211909 [0,1,0,1,0,0|2,0,0]=4 23590 B11R1.16 CCCC(C)N1CCOCC1 34a_100015191051_100000766640 [0,1,0,1,0,0|2,0,0]=4 23591 B11R1.16 CCCC(C)N1CCSCC1 2230a_100000737611_100000766640 [0,1,0,1,0,0|2,0,0]=4 23592 B11R1.16 CCCC(C)N1CCSCC1 269982a_100000737611_100000766640 [0,1,0,1,0,0|2,0,0]=4 23593 B11R1.16 CCCC(C)N1CCSCC1 270004a_100000737611_100000211909 [0,1,0,1,0,0|2,0,0]=4 23594 B11R1.16 CCCN(C)C1CCCCC1 2230a_100000207522_100000210303 [0,1,0,1,0,0|2,0,0]=4 23595 B11R1.16 CCCN(C)C1CCCCC1 2230a_100000750343_200000210301 [0,1,0,1,0,0|2,0,0]=4 23596 B11R1.16 CCCN(C)C1CCCCC1 269982a_100000207522_100000210303 [0,1,0,1,0,0|2,0,0]=4 23597 B11R1.16 CCCN(C)C1CCCCC1 269982a_100000747261_100000210327 [0,1,0,1,0,0|2,0,0]=4 23598 B11R1.16 CCCN(C)C1CCCCC1 269982a_100000750343_200000210301 [0,1,0,1,0,0|2,0,0]=4 23599 B11R1.16 CCCN(C)C1CCCCC1 270004a_100000747261_100000210434 [0,1,0,1,0,0|2,0,0]=4 23600 B11R1.16 CCCN(C)C1CCCCC1 34a_100000207522_100000210303 [0,1,0,1,0,0|2,0,0]=4 23601 B11R1.16 CCCN(C)C1CCCCC1 34a_100000750343_200000210301 [0,1,0,1,0,0|2,0,0]=4 23602 B11R1.16 CCCN([13CH3])C1CCCCC1 2230a_100000750343_200025704644 [0,1,0,1,0,0|2,0,0]=4 23603 B11R1.16 CCCN([13CH3])C1CCCCC1 269982a_100000750343_200025704644 [0,1,0,1,0,0|2,0,0]=4 23604 B11R1.16 CCCN([13CH3])C1CCCCC1 34a_100000750343_200025704644 [0,1,0,1,0,0|2,0,0]=4 23605 B11R1.16 CCNC(=O)C1CCCCO1 11a_100015525214_100000748299 [0,1,0,1,0,0|1,0,1]=4 23606 B11R1.16 CCNC(=O)C1CCCCO1 240690a_100015525214_100000748299 [0,1,0,1,0,0|1,0,1]=4 23607 B11R1.16 CCNC(=O)C1CCCCO1 527a_100015525214_100000748299 [0,1,0,1,0,0|1,0,1]=4 23608 B11R1.16 CCNC(C)C1CCCCC1 269862a_100015525214_100000210989 [0,1,0,1,0,0|2,0,0]=4 23609 B11R1.16 CCNC(C)C1CCCCN1 269862a_100015525214_200011997754 [0,1,0,1,0,0|2,0,0]=4 23610 B11R1.16 CCN[C@H](C)C1CCCCC1 2230a_100025707633_100000210202 [0,1,0,1,0,0|2,0,0]=4 23611 B11R1.16 CCN[C@H](C)C1CCCCC1 34a_100025707633_100000210202 [0,1,0,1,0,0|2,0,0]=4 23612 B11R1.16 CCOC(C)C1CCCCC1 34a_100011216961_100000210202 [0,1,0,1,0,0|2,0,0]=4 23613 B11R1.16 CCOC(C)C1CCCCC1 7a_100011216961_100000210202 [0,1,0,1,0,0|2,0,0]=4 23614 B11R1.16 COC[C@H](N)C1CCCCC1 34a_100009817630_200000210301 [0,1,0,1,0,0|2,0,0]=4 23615 B11R1.16 O=C(CCF)C1CCCCO1 1458a_100000748299_100011217306 [0,1,0,1,0,0|1,0,1]=4 23616 B11R1.16 O=C(CCO)C1CCCCO1 1458a_100000748299_100000211926 [0,1,0,1,0,0|1,0,1]=4 23617 B11R1.16 [13CH3]OC[C@H](N)C1CCCCC1 34a_100009817630_200025704644 [0,1,0,1,0,0|2,0,0]=4 23618 B11R1.24 CC1CCCN(C1)CCN[13CH3] 2230a_100000739826_200025704644 [0,1,0,1,0,0|2,0,0]=4 23619 B11R1.24 CC1CCCN(C1)CCS[13CH3] 62a_200025704644_100000766211 [0,1,0,1,0,0|2,0,0]=4 23620 B11R1.24 CCCCN1CCCC(C1)F 2230a_100000697950_100000210211 [0,1,0,1,0,0|1,0,0]=3 23621 B11R1.24 CCCCN1CCCC(C1)F 269982a_100000697950_100000210211 [0,1,0,1,0,0|1,0,0]=3 23622 B11R1.24 CCCCN1CCCC(C1)F 34a_100000697950_100000210210 [0,1,0,1,0,0|1,0,0]=3 23623 B11R1.24 CCCCN1CCCC(C1)O 2230a_100000211013_100000210211 [0,1,0,1,0,0|1,0,0]=3 23624 B11R1.24 CCCCN1CCCC(C1)O 269982a_100000211013_100000210211 [0,1,0,1,0,0|1,0,0]=3 23625 B11R1.24 CCCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210211 [0,1,0,1,0,0|1,0,0]=3 23626 B11R1.24 CCCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210211 [0,1,0,1,0,0|1,0,0]=3 23627 B11R1.24 CCCCN1CCC[C@@H](C1)C 34a_100000717927_100000210210 [0,1,0,1,0,0|1,0,0]=3 23628 B11R1.24 CCCCN1CCOC(C1)C 2230a_100000729577_100000210211 [0,1,0,1,0,0|2,0,0]=4 23629 B11R1.24 CCCCN1CCOC(C1)C 269982a_100000729577_100000210211 [0,1,0,1,0,0|2,0,0]=4 23630 B11R1.24 CCCCN1CCOC(C1)C 34a_100000729577_100000210210 [0,1,0,1,0,0|2,0,0]=4 23631 B11R1.24 CCCCN1CCOC(C1)O 2230a_100000688207_100000210211 [0,1,0,1,0,0|2,0,0]=4 23632 B11R1.24 CCCCN1CCOC(C1)O 269982a_100000688207_100000210211 [0,1,0,1,0,0|2,0,0]=4 23633 B11R1.24 CCCNC1CCCC(C1)C 2230a_100011194320_100000210303 [0,1,0,1,0,0|2,0,0]=4 23634 B11R1.24 CCCNC1CCCC(C1)C 270004a_100020643023_100000183594 [0,1,0,1,0,0|2,0,0]=4 23635 B11R1.24 CCCNC1CCCC(C1)C 34a_100011194320_100000210303 [0,1,0,1,0,0|2,0,0]=4 23636 B11R1.24 CCCNC1CCCC(C1)O 2230a_100015190357_100000210303 [0,1,0,1,0,0|2,0,0]=4 23637 B11R1.24 CCCNC1CCCC(C1)O 270004a_100020643023_100012613340 [0,1,0,1,0,0|2,0,0]=4 23638 B11R1.24 CCCOC1CCCC(C1)C 34a_100000211399_100000210303 [0,1,0,1,0,0|2,0,0]=4 23639 B11R1.24 CCNCC1CCCC(C1)O 2230a_100011254705_100000210202 [0,1,0,1,0,0|2,0,0]=4 23640 B11R1.24 CCOCN1CCCC(C1)F 269982a_100000697950_100000739092 [0,1,0,1,0,0|2,0,0]=4 23641 B11R1.24 CCOCN1CCCC(C1)O 269982a_100000211013_100000739092 [0,1,0,1,0,0|2,0,0]=4 23642 B11R1.24 CCOCN1CCC[C@@H](C1)C 269982a_100000717927_100000739092 [0,1,0,1,0,0|2,0,0]=4 23643 B11R1.24 CNCCN1CCCC(C1)C 2230a_100000739826_200000210301 [0,1,0,1,0,0|2,0,0]=4 23644 B11R1.24 CNCCN1CCCC(C1)C 2230a_106832991635_100000766211 [0,1,0,1,0,0|2,0,0]=4 23645 B11R1.24 CNCCN1CCCC(C1)C 34a_100102657272_100000766211 [0,1,0,1,0,0|2,0,0]=4 23646 B11R1.24 CNCCN1CCCC(C1)C 7a_106832991635_100000766211 [0,1,0,1,0,0|2,0,0]=4 23647 B11R1.24 COCCN1CCCC(C1)C 34a_100138415774_100000766211 [0,1,0,1,0,0|2,0,0]=4 23648 B11R1.24 COCCN1CCCC(C1)F 2230a_100000697950_100011201679 [0,1,0,1,0,0|2,0,0]=4 23649 B11R1.24 COCCN1CCCC(C1)F 269982a_100000697950_100000233755 [0,1,0,1,0,0|2,0,0]=4 23650 B11R1.24 COCCN1CCCC(C1)F 34a_100000697950_100011201679 [0,1,0,1,0,0|2,0,0]=4 23651 B11R1.24 COCCN1CCCC(C1)O 2230a_100000211013_100011201679 [0,1,0,1,0,0|2,0,0]=4 23652 B11R1.24 COCCN1CCCC(C1)O 269982a_100000211013_100000233755 [0,1,0,1,0,0|2,0,0]=4 23653 B11R1.24 COCCN1CCC[C@@H](C1)C 2230a_100000717927_100011201679 [0,1,0,1,0,0|2,0,0]=4 23654 B11R1.24 COCCN1CCC[C@@H](C1)C 269982a_100000717927_100000233755 [0,1,0,1,0,0|2,0,0]=4 23655 B11R1.24 COCCN1CCC[C@@H](C1)C 34a_100000717927_100011201679 [0,1,0,1,0,0|2,0,0]=4 23656 B11R1.24 CSCCN1CCCC(C1)C 62a_200000210301_100000766211 [0,1,0,1,0,0|2,0,0]=4 23657 B11R1.24 CSCCN1CCCC(C1)F 2230a_100000697950_100000751147 [0,1,0,1,0,0|2,0,0]=4 23658 B11R1.24 CSCCN1CCCC(C1)F 269982a_100000697950_100000212216 [0,1,0,1,0,0|2,0,0]=4 23659 B11R1.24 CSCCN1CCCC(C1)F 34a_100000697950_100000212216 [0,1,0,1,0,0|2,0,0]=4 23660 B11R1.24 CSCCN1CCCC(C1)O 2230a_100000211013_100000751147 [0,1,0,1,0,0|2,0,0]=4 23661 B11R1.24 CSCCN1CCCC(C1)O 269982a_100000211013_100000212216 [0,1,0,1,0,0|2,0,0]=4 23662 B11R1.24 CSCCN1CCC[C@@H](C1)C 2230a_100000717927_100000751147 [0,1,0,1,0,0|2,0,0]=4 23663 B11R1.24 CSCCN1CCC[C@@H](C1)C 269982a_100000717927_100000212216 [0,1,0,1,0,0|2,0,0]=4 23664 B11R1.24 CSCCN1CCC[C@@H](C1)C 34a_100000717927_100000212216 [0,1,0,1,0,0|2,0,0]=4 23665 B11R1.24 C[C@H]1CCCN(C1)CCCF 2230a_100000717927_100011934791 [0,1,0,1,0,0|2,0,0]=4 23666 B11R1.24 C[C@H]1CCCN(C1)CCCF 269982a_100000717927_100011934791 [0,1,0,1,0,0|2,0,0]=4 23667 B11R1.24 C[C@H]1CCCN(C1)CCCF 34a_100000717927_100011934791 [0,1,0,1,0,0|2,0,0]=4 23668 B11R1.24 C[C@H]1CCCN(C1)CCCO 2230a_100000717927_100000230001 [0,1,0,1,0,0|2,0,0]=4 23669 B11R1.24 C[C@H]1CCCN(C1)CCCO 269982a_100000717927_100011215043 [0,1,0,1,0,0|2,0,0]=4 23670 B11R1.24 C[C@H]1CCCN(C1)CCCO 34a_100000717927_100000230001 [0,1,0,1,0,0|2,0,0]=4 23671 B11R1.24 FCCCN1CCCC(C1)F 2230a_100000697950_100011934791 [0,1,0,1,0,0|2,0,0]=4 23672 B11R1.24 FCCCN1CCCC(C1)F 269982a_100000697950_100011934791 [0,1,0,1,0,0|2,0,0]=4 23673 B11R1.24 FCCCN1CCCC(C1)F 34a_100000697950_100011934791 [0,1,0,1,0,0|2,0,0]=4 23674 B11R1.24 OC1CCCN(C1)CCCF 2230a_100000211013_100011934791 [0,1,0,1,0,0|2,0,0]=4 23675 B11R1.24 OC1CCCN(C1)CCCF 269982a_100000211013_100011934791 [0,1,0,1,0,0|2,0,0]=4 23676 B11R1.24 OCCCN1CCCC(C1)F 2230a_100000697950_100000230001 [0,1,0,1,0,0|2,0,0]=4 23677 B11R1.24 OCCCN1CCCC(C1)F 269982a_100000697950_100011215043 [0,1,0,1,0,0|2,0,0]=4 23678 B11R1.24 OCCCN1CCCC(C1)F 34a_100000697950_100000230001 [0,1,0,1,0,0|2,0,0]=4 23679 B11R1.24 OCCCN1CCCC(C1)O 2230a_100000211013_100000230001 [0,1,0,1,0,0|2,0,0]=4 23680 B11R1.24 OCCCN1CCCC(C1)O 269982a_100000211013_100011215043 [0,1,0,1,0,0|2,0,0]=4 23681 B11R1.30 C#CCC(C)OC1CCCC1 34a_100000685586_100000179811 [0,1,0,1,0,0|0,0,2]=4 23682 B11R1.30 C#CCC(C)OC1CCCC1 7a_100000685586_100000179811 [0,1,0,1,0,0|0,0,2]=4 23683 B11R1.30 C/C=C/C(C)OC1CCCC1 34a_200102604097_100000179811 [0,1,0,1,0,0|0,0,2]=4 23684 B11R1.30 C=CC[C@@H](C)OC1CCCC1 34a_100000731007_100000179811 [0,1,0,1,0,0|0,0,2]=4 23685 B11R1.30 C=CC[C@@H](C)OC1CCCC1 7a_100000731007_100000179811 [0,1,0,1,0,0|0,0,2]=4 23686 B11R1.30 CC#CC(C)OC1CCCC1 34a_100011216543_100000179811 [0,1,0,1,0,0|0,0,2]=4 23687 B11R1.30 CC(CC#N)OC1CCCC1 7a_100000210269_100009813641 [0,1,0,1,0,0|1,0,1]=4 23688 B11R1.30 CC(CCBr)OC1CCCC1 34a_100012276601_100000179811 [0,1,0,1,0,0|1,0,0]=3 23689 B11R1.30 CC(CCBr)OC1CCOC1 34a_100012276601_100000690089 [0,1,0,1,0,0|2,0,0]=4 23690 B11R1.30 CC(CCO)NC1CCCC1 2230a_100000211070_100009893172 [0,1,0,1,0,0|2,0,0]=4 23691 B11R1.30 CC(CCO)NC1CCCC1 34a_100000211070_100009893172 [0,1,0,1,0,0|2,0,0]=4 23692 B11R1.30 CC(CCO)OC1CCCC1 34a_100000210269_100009893172 [0,1,0,1,0,0|1,0,0]=3 23693 B11R1.30 CC(CCO)OC1CCCC1 7a_100000210269_100009893172 [0,1,0,1,0,0|1,0,0]=3 23694 B11R1.30 CC(CCO)OC1CCCO1 34a_100000085407_100009893172 [0,1,0,1,0,0|2,0,0]=4 23695 B11R1.30 CC(CCO)OC1CCSC1 7a_100011232664_100009893172 [0,1,0,1,0,0|2,0,0]=4 23696 B11R1.30 CC(CCO)O[C@H]1CCOC1 34a_100000717292_100009893172 [0,1,0,1,0,0|2,0,0]=4 23697 B11R1.30 CC(CCO)SC1CCCC1 62a_100009893172_100000179811 [0,1,0,1,0,0|1,1,0]=4 23698 B11R1.30 CC(CCO)SC1CCCC1 62a_100011217020_100009893172 [0,1,0,1,0,0|1,1,0]=4 23699 B11R1.30 CC(CO[13CH3])CN1CCCC1 7a_200011934648_200025704644 [0,1,0,1,0,0|2,0,0]=4 23700 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [0,1,0,1,0,0|1,0,1]=4 23701 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [0,1,0,1,0,0|1,0,1]=4 23702 B11R1.30 CCCC(=O)CN1CCCC1 1458a_100000740243_100000210303 [0,1,0,1,0,0|1,0,1]=4 23703 B11R1.30 CCCC(=O)CN1CCCC1 2230a_100000188435_100000747444 [0,1,0,1,0,0|1,0,1]=4 23704 B11R1.30 CCCC(=O)CN1CCCC1 269982a_100000188435_100000747444 [0,1,0,1,0,0|1,0,1]=4 23705 B11R1.30 CCCC(=O)NC1CCCC1 11a_100000211070_100000211992 [0,1,0,1,0,0|1,0,1]=4 23706 B11R1.30 CCCC(=O)NC1CCCC1 1626a_100000211070_100000211992 [0,1,0,1,0,0|1,0,1]=4 23707 B11R1.30 CCCC(=O)NC1CCCC1 240690a_100000211070_100000211992 [0,1,0,1,0,0|1,0,1]=4 23708 B11R1.30 CCCC(=O)NC1CCCC1 527a_100000211070_100000211992 [0,1,0,1,0,0|1,0,1]=4 23709 B11R1.30 CCCC(C)CN1CCCC1 2230a_100000188435_100011216630 [0,1,0,1,0,0|1,0,0]=3 23710 B11R1.30 CCCC(C)CN1CCCC1 269982a_100000188435_100011216630 [0,1,0,1,0,0|1,0,0]=3 23711 B11R1.30 CCCC(C)CN1CCCC1 270004a_100000188435_100000243154 [0,1,0,1,0,0|1,0,0]=3 23712 B11R1.30 CCCC(C)CN1CCSC1 2230a_100011215254_100011216630 [0,1,0,1,0,0|2,0,0]=4 23713 B11R1.30 CCCC(C)CN1CCSC1 269982a_100011215254_100011216630 [0,1,0,1,0,0|2,0,0]=4 23714 B11R1.30 CCCC(C)CN1CCSC1 270004a_100011215254_100000243154 [0,1,0,1,0,0|2,0,0]=4 23715 B11R1.30 CCCC(C)NC1CCCC1 2230a_100000211070_100000766640 [0,1,0,1,0,0|1,0,0]=3 23716 B11R1.30 CCCC(C)NC1CCCC1 2230a_100000741246_100000179811 [0,1,0,1,0,0|1,0,0]=3 23717 B11R1.30 CCCC(C)NC1CCCC1 270004a_100000211070_100000211909 [0,1,0,1,0,0|1,0,0]=3 23718 B11R1.30 CCCC(C)NC1CCCC1 270004a_100000741246_100000210133 [0,1,0,1,0,0|1,0,0]=3 23719 B11R1.30 CCCC(C)NC1CCCC1 34a_100000211070_100000766640 [0,1,0,1,0,0|1,0,0]=3 23720 B11R1.30 CCCC(C)NC1CCOC1 2230a_100000741246_100000731011 [0,1,0,1,0,0|2,0,0]=4 23721 B11R1.30 CCCC(C)NC1CCOC1 270004a_100000741246_100000752484 [0,1,0,1,0,0|2,0,0]=4 23722 B11R1.30 CCCC(C)NC1CCSC1 270004a_100000741246_100000212027 [0,1,0,1,0,0|2,0,0]=4 23723 B11R1.30 CCCC(C)N[C@@H]1CCOC1 2230a_200015188469_100000766640 [0,1,0,1,0,0|2,0,0]=4 23724 B11R1.30 CCCC(C)N[C@@H]1CCOC1 270004a_200015188469_100000211909 [0,1,0,1,0,0|2,0,0]=4 23725 B11R1.30 CCCC(C)N[C@H]1CCOC1 2230a_100015188467_100000766640 [0,1,0,1,0,0|2,0,0]=4 23726 B11R1.30 CCCC(C)N[C@H]1CCOC1 270004a_100015188467_100000211909 [0,1,0,1,0,0|2,0,0]=4 23727 B11R1.30 CCCC(C)N[C@H]1CCOC1 34a_100015188467_100000766640 [0,1,0,1,0,0|2,0,0]=4 23728 B11R1.30 CCCC(C)OC1CCCC1 34a_100000210269_100000766640 [0,1,0,1,0,0|0,0,0]=2 23729 B11R1.30 CCCC(C)OC1CCCC1 34a_100000764384_100000179811 [0,1,0,1,0,0|0,0,0]=2 23730 B11R1.30 CCCC(C)OC1CCCC1 7a_100000210269_100000766640 [0,1,0,1,0,0|0,0,0]=2 23731 B11R1.30 CCCC(C)OC1CCCC1 7a_100000764384_100000179811 [0,1,0,1,0,0|0,0,0]=2 23732 B11R1.30 CCCC(C)OC1CCCO1 34a_100000085407_100000766640 [0,1,0,1,0,0|1,0,0]=3 23733 B11R1.30 CCCC(C)OC1CCOC1 34a_100000764384_100000690089 [0,1,0,1,0,0|1,0,0]=3 23734 B11R1.30 CCCC(C)OC1CCOC1 7a_100000764384_100000731011 [0,1,0,1,0,0|1,0,0]=3 23735 B11R1.30 CCCC(C)OC1CCSC1 7a_100011232664_100000766640 [0,1,0,1,0,0|1,0,0]=3 23736 B11R1.30 CCCC(C)O[C@H]1CCOC1 34a_100000717292_100000766640 [0,1,0,1,0,0|1,0,0]=3 23737 B11R1.30 CCCC(C)SC1CCCC1 62a_100000766640_100000179811 [0,1,0,1,0,0|0,1,0]=3 23738 B11R1.30 CCCC(C)SC1CCCC1 62a_100011217020_100000766640 [0,1,0,1,0,0|0,1,0]=3 23739 B11R1.30 CCCC(C)SC1CCOC1 62a_100000766640_100000690089 [0,1,0,1,0,0|1,1,0]=4 23740 B11R1.30 CCCN(C)CC1CCCC1 2230a_100000747261_100000740388 [0,1,0,1,0,0|2,0,0]=4 23741 B11R1.30 CCCN(C)CC1CCCC1 269982a_100000747261_100000740388 [0,1,0,1,0,0|2,0,0]=4 23742 B11R1.30 CCNC(C)CC1CCCC1 270004a_100015525214_100000692464 [0,1,0,1,0,0|2,0,0]=4 23743 B11R1.30 COCC(C)CN1CCCC1 7a_200011934648_200000210301 [0,1,0,1,0,0|2,0,0]=4 23744 B11R1.30 COCC(C)NC1CCCC1 2230a_100000211070_100000765312 [0,1,0,1,0,0|2,0,0]=4 23745 B11R1.30 COCC(C)NC1CCCC1 270004a_100000211070_100000749346 [0,1,0,1,0,0|2,0,0]=4 23746 B11R1.30 COCC(C)NC1CCCC1 34a_100000211070_100000765312 [0,1,0,1,0,0|2,0,0]=4 23747 B11R1.30 COCC(C)OC1CCCC1 34a_100000210269_100000765312 [0,1,0,1,0,0|1,0,0]=3 23748 B11R1.30 COCC(C)OC1CCCC1 7a_100000210269_100000765312 [0,1,0,1,0,0|1,0,0]=3 23749 B11R1.30 COCC(C)OC1CCCO1 34a_100000085407_100000765312 [0,1,0,1,0,0|2,0,0]=4 23750 B11R1.30 COCC(C)OC1CCSC1 7a_100011232664_100000765312 [0,1,0,1,0,0|2,0,0]=4 23751 B11R1.30 COCC(C)O[C@H]1CCOC1 34a_100000717292_100000765312 [0,1,0,1,0,0|2,0,0]=4 23752 B11R1.30 COCC(C)SC1CCCC1 62a_100000765312_100000179811 [0,1,0,1,0,0|1,1,0]=4 23753 B11R1.30 COCC(C)SC1CCCC1 62a_100011217020_100000765312 [0,1,0,1,0,0|1,1,0]=4 23754 B11R1.30 COC[C@@H](C)NC1CCCC1 2230a_100000764878_100000179811 [0,1,0,1,0,0|2,0,0]=4 23755 B11R1.30 COC[C@@H](C)NC1CCCC1 270004a_100000764878_100000210133 [0,1,0,1,0,0|2,0,0]=4 23756 B11R1.30 COC[C@@H](C)OC1CCCC1 34a_100011934205_100000179811 [0,1,0,1,0,0|1,0,0]=3 23757 B11R1.30 COC[C@@H](C)OC1CCOC1 34a_100011934205_100000690089 [0,1,0,1,0,0|2,0,0]=4 23758 B11R1.30 CSCC(C)NC1CCCC1 270004a_100000211070_100011216314 [0,1,0,1,0,0|2,0,0]=4 23759 B11R1.30 C[C@H](CCO)NC1CCCC1 2230a_100000706166_100000179811 [0,1,0,1,0,0|2,0,0]=4 23760 B11R1.30 C[C@H](CCO)NC1CCCC1 270004a_100000706166_100000210133 [0,1,0,1,0,0|2,0,0]=4 23761 B11R1.30 C[C@H](CCO)NC1CCCC1 34a_100000706166_100000179811 [0,1,0,1,0,0|2,0,0]=4 23762 B11R1.78 C#CCCOCC1CC(C1)Cl 34a_100009874164_100000688953 [0,1,0,1,0,0|0,0,2]=4 23763 B11R1.78 C/C=C/COCC1CC(C1)Cl 34a_100009874164_100102629194 [0,1,0,1,0,0|0,0,2]=4 23764 B11R1.78 C=C1CC(C1)CNCCCC 2230a_100102567296_100000210211 [0,1,0,1,0,0|1,0,1]=4 23765 B11R1.78 C=C1CC(C1)CNCCCC 34a_100102567296_100000210210 [0,1,0,1,0,0|1,0,1]=4 23766 B11R1.78 C=C1CC(C1)COCCCC 34a_100011011225_100000210210 [0,1,0,1,0,0|0,0,1]=3 23767 B11R1.78 C=C1CC(C1)COCCCF 34a_100011011225_100011934791 [0,1,0,1,0,0|1,0,1]=4 23768 B11R1.78 C=C1CC(C1)COCCCO 34a_100011011225_100000230001 [0,1,0,1,0,0|1,0,1]=4 23769 B11R1.78 C=C1CC(C1)COCCOC 34a_100011011225_100011201679 [0,1,0,1,0,0|1,0,1]=4 23770 B11R1.78 C=C1CC(C1)COCCSC 34a_100011011225_100000212216 [0,1,0,1,0,0|1,0,1]=4 23771 B11R1.78 C=C1CC(C1)NCCCCC 2230a_100132301982_100000210326 [0,1,0,1,0,0|1,0,1]=4 23772 B11R1.78 C=CCCOCC1CC(C1)Cl 34a_100009874164_100000754431 [0,1,0,1,0,0|0,0,2]=4 23773 B11R1.78 CC#CCOCC1CC(C1)Cl 34a_100009874164_100000748600 [0,1,0,1,0,0|0,0,2]=4 23774 B11R1.78 CC=CCOCC1CC(C1)Cl 34a_100009874164_100000070051 [0,1,0,1,0,0|0,0,2]=4 23775 B11R1.78 CCCCCCN1CC(C1)C 2230a_100000702820_100000210314 [0,1,0,1,0,0|2,0,0]=4 23776 B11R1.78 CCCCCCN1CC(C1)C 269982a_100000702820_100000210757 [0,1,0,1,0,0|2,0,0]=4 23777 B11R1.78 CCCCCCN1CC(C1)C 34a_100000702820_100000210314 [0,1,0,1,0,0|2,0,0]=4 23778 B11R1.78 CCCCCCN1CC(C1)F 2230a_100000690557_100000210314 [0,1,0,1,0,0|2,0,0]=4 23779 B11R1.78 CCCCCCN1CC(C1)F 269982a_100000690557_100000210757 [0,1,0,1,0,0|2,0,0]=4 23780 B11R1.78 CCCCCCN1CC(C1)F 34a_100000690557_100000210314 [0,1,0,1,0,0|2,0,0]=4 23781 B11R1.78 CCCCCCN1CC(C1)O 269982a_100000749847_100000210757 [0,1,0,1,0,0|2,0,0]=4 23782 B11R1.78 CCCCCNC1CC(C1)F 2230a_100016993743_100000210326 [0,1,0,1,0,0|1,0,0]=3 23783 B11R1.78 CCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210326 [0,1,0,1,0,0|1,0,0]=3 23784 B11R1.78 CCCCCSC1CC(=O)C1 62a_100009894365_100000210326 [0,1,0,1,0,0|0,1,1]=4 23785 B11R1.78 CCCCNCC1CC(=O)C1 2230a_100000102301_100009874392 [0,1,0,1,0,0|1,0,1]=4 23786 B11R1.78 CCCCNCC1CC(=O)C1 7a_106832991798_100009874392 [0,1,0,1,0,0|1,0,1]=4 23787 B11R1.78 CCCCNCC1CC(C1)O 2230a_100016992100_100000210211 [0,1,0,1,0,0|1,0,0]=3 23788 B11R1.78 CCCCOCC1CC(=O)C1 34a_100000101936_100000210210 [0,1,0,1,0,0|0,0,1]=3 23789 B11R1.78 CCCCOCC1CC(=O)C1 7a_100000210227_100009874392 [0,1,0,1,0,0|0,0,1]=3 23790 B11R1.78 CCCCOCC1CC(C1)Cl 34a_100009874164_100000210210 [0,1,0,1,0,0|0,0,0]=2 23791 B11R1.78 CCCCOCN1CC(C1)C 2230a_100000702820_100011995733 [0,1,0,1,0,0|1,0,0]=3 23792 B11R1.78 CCCCOCN1CC(C1)C 269982a_100000702820_100011995733 [0,1,0,1,0,0|1,0,0]=3 23793 B11R1.78 CCCCOCN1CC(C1)C 34a_100000702820_100011995733 [0,1,0,1,0,0|1,0,0]=3 23794 B11R1.78 CCCCOCN1CC(C1)F 2230a_100000690557_100011995733 [0,1,0,1,0,0|1,0,0]=3 23795 B11R1.78 CCCCOCN1CC(C1)F 269982a_100000690557_100011995733 [0,1,0,1,0,0|1,0,0]=3 23796 B11R1.78 CCCCOCN1CC(C1)F 34a_100000690557_100011995733 [0,1,0,1,0,0|1,0,0]=3 23797 B11R1.78 CCCCOCN1CC(C1)O 269982a_100000749847_100011995733 [0,1,0,1,0,0|1,0,0]=3 23798 B11R1.78 CCCCSCC1CC(=O)C1 62a_100000210211_100009874392 [0,1,0,1,0,0|0,1,1]=4 23799 B11R1.78 CCCCSCC1CC(=O)C1 62a_100009874392_100000210210 [0,1,0,1,0,0|0,1,1]=4 23800 B11R1.78 CCOCCNC1CC(C1)F 2230a_100016993743_100011215890 [0,1,0,1,0,0|2,0,0]=4 23801 B11R1.78 CCOCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011215890 [0,1,0,1,0,0|2,0,0]=4 23802 B11R1.78 CCSCCNC1CC(C1)F 2230a_100016993743_100000757381 [0,1,0,1,0,0|2,0,0]=4 23803 B11R1.78 CCSCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000757381 [0,1,0,1,0,0|2,0,0]=4 23804 B11R1.78 COCCCNC1CC(C1)F 2230a_100016993743_100000740836 [0,1,0,1,0,0|2,0,0]=4 23805 B11R1.78 COCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000740836 [0,1,0,1,0,0|2,0,0]=4 23806 B11R1.78 COCCNCC1CC(C1)O 2230a_100016992100_100011201679 [0,1,0,1,0,0|2,0,0]=4 23807 B11R1.78 COCCOCC1CC(=O)C1 34a_100000101936_100011201679 [0,1,0,1,0,0|1,0,1]=4 23808 B11R1.78 COCCOCC1CC(C1)Cl 34a_100009874164_100011201679 [0,1,0,1,0,0|1,0,0]=3 23809 B11R1.78 COCCOCN1CC(C1)C 2230a_100000702820_100000231047 [0,1,0,1,0,0|2,0,0]=4 23810 B11R1.78 COCCOCN1CC(C1)C 269982a_100000702820_100000231047 [0,1,0,1,0,0|2,0,0]=4 23811 B11R1.78 COCCOCN1CC(C1)F 2230a_100000690557_100000231047 [0,1,0,1,0,0|2,0,0]=4 23812 B11R1.78 COCCOCN1CC(C1)F 269982a_100000690557_100000231047 [0,1,0,1,0,0|2,0,0]=4 23813 B11R1.78 COCCOCN1CC(C1)O 269982a_100000749847_100000231047 [0,1,0,1,0,0|2,0,0]=4 23814 B11R1.78 CSCCNCC1CC(C1)O 2230a_100016992100_100000751147 [0,1,0,1,0,0|2,0,0]=4 23815 B11R1.78 CSCCOCC1CC(=O)C1 34a_100000101936_100000212216 [0,1,0,1,0,0|1,0,1]=4 23816 B11R1.78 CSCCOCC1CC(=O)C1 7a_100000230434_100009874392 [0,1,0,1,0,0|1,0,1]=4 23817 B11R1.78 CSCCOCC1CC(C1)Cl 34a_100009874164_100000212216 [0,1,0,1,0,0|1,0,0]=3 23818 B11R1.78 FCCCCNC1CC(C1)F 2230a_100016993743_100000729493 [0,1,0,1,0,0|2,0,0]=4 23819 B11R1.78 FCCCOCC1CC(C1)Cl 34a_100009874164_100011934791 [0,1,0,1,0,0|1,0,0]=3 23820 B11R1.78 O=C1CC(C1)COCCCF 34a_100000101936_100011934791 [0,1,0,1,0,0|1,0,1]=4 23821 B11R1.78 O=C1CC(C1)COCCCO 34a_100000101936_100000230001 [0,1,0,1,0,0|1,0,1]=4 23822 B11R1.78 OC1CC(C1)CNCCCF 2230a_100016992100_100011934791 [0,1,0,1,0,0|2,0,0]=4 23823 B11R1.78 OCCCCNC1CC(C1)F 2230a_100016993743_100000210776 [0,1,0,1,0,0|2,0,0]=4 23824 B11R1.78 OCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210776 [0,1,0,1,0,0|2,0,0]=4 23825 B11R1.78 OCCCNCC1CC(C1)O 2230a_100016992100_100000230001 [0,1,0,1,0,0|2,0,0]=4 23826 B11R1.78 OCCCOCC1CC(C1)Cl 34a_100009874164_100000230001 [0,1,0,1,0,0|1,0,0]=3 23827 B11R1.78 O[C@H]1C[C@@H](C1)NCCCCF 2230a_100020629032_100000729493 [0,1,0,1,0,0|2,0,0]=4 23828 B11R1.81 CCOC1CCC(CC1C)C 34a_100011539931_100000210202 [0,1,0,1,0,0|2,0,0]=4 23829 B11R1.81 CCOC1CCC(CC1C)C 7a_100011539931_100000210202 [0,1,0,1,0,0|2,0,0]=4 23830 B11R1.110 CCCN1CCCCC(C1)O 2230a_100025706797_100000210303 [0,1,0,1,0,0|2,0,0]=4 23831 B11R1.110 CCCN1CCCCC(C1)O 269982a_100025706797_100000210303 [0,1,0,1,0,0|2,0,0]=4 23832 B11R1.117 CCCN1CCCCCCC1 2230a_100000211400_100000210303 [0,1,0,1,0,0|1,0,0]=3 23833 B11R1.117 CCCN1CCCCCCC1 269982a_100000211400_100000210303 [0,1,0,1,0,0|1,0,0]=3 23834 B11R1.117 CCCN1CCCCCCC1 34a_100000211400_100000210303 [0,1,0,1,0,0|1,0,0]=3 23835 B11R1.117 CCNC1CCCCCCC1 2230a_100000211152_100000210202 [0,1,0,1,0,0|1,0,0]=3 23836 B11R1.117 CCNC1CCCCCCC1 270004a_100015525214_100000210524 [0,1,0,1,0,0|1,0,0]=3 23837 B11R1.117 CCNC1CCCCCCC1 34a_100000211152_100000210202 [0,1,0,1,0,0|1,0,0]=3 23838 B11R1.117 CCOC1C=CCCCCC1 34a_100000688657_100000210202 [0,1,0,1,0,0|1,0,1]=4 23839 B11R1.117 CCOC1CC/C=C\CCC1 34a_100016989180_100000210202 [0,1,0,1,0,0|1,0,1]=4 23840 B11R1.117 CCOC1CC/C=C\CCC1 34a_100121572206_100021000466 [0,1,0,1,0,0|1,0,1]=4 23841 B11R1.117 CCOC1CCCCCCC1 34a_100000210054_100000210202 [0,1,0,1,0,0|1,0,0]=3 23842 B11R1.117 CCOC1CCCCCCC1 7a_100000210054_100000210202 [0,1,0,1,0,0|1,0,0]=3 23843 B11R1.117 CCSC1CC/C=C\CCC1 62a_100000210202_100021000466 [0,1,0,1,0,0|1,0,1]=4 23844 B11R1.117 CCSC1CC/C=C\CCC1 62a_100021000466_100000210202 [0,1,0,1,0,0|1,0,1]=4 23845 B11R1.117 CNCC1CC/C=C\CCC1 2230a_100102730862_200000210301 [0,1,0,1,0,0|1,0,1]=4 23846 B11R1.117 CNCC1CC/C=C\CCC1 34a_100102730862_200000210301 [0,1,0,1,0,0|1,0,1]=4 23847 B11R1.117 COCC1CCCCCCC1 34a_100011216312_200000210301 [0,1,0,1,0,0|1,0,0]=3 23848 B11R1.117 COCC1CCCCCCC1 7a_100011216312_200000210301 [0,1,0,1,0,0|1,0,0]=3 23849 B11R1.117 COCN1CCCCCCC1 2230a_100000211400_100000766300 [0,1,0,1,0,0|2,0,0]=4 23850 B11R1.117 COCN1CCCCCCC1 269982a_100000211400_100000766300 [0,1,0,1,0,0|2,0,0]=4 23851 B11R1.117 CSCN1CCCCCCC1 2230a_100000211400_100011218213 [0,1,0,1,0,0|2,0,0]=4 23852 B11R1.117 CSCN1CCCCCCC1 269982a_100000211400_100011218213 [0,1,0,1,0,0|2,0,0]=4 23853 B11R1.117 CSCN1CCCCCCC1 34a_100000211400_100011218213 [0,1,0,1,0,0|2,0,0]=4 23854 B11R1.117 FCCN1CCCCCCC1 2230a_100000211400_100011217306 [0,1,0,1,0,0|2,0,0]=4 23855 B11R1.117 FCCN1CCCCCCC1 269982a_100000211400_100011217306 [0,1,0,1,0,0|2,0,0]=4 23856 B11R1.117 FCCN1CCCCCCC1 34a_100000211400_100011217306 [0,1,0,1,0,0|2,0,0]=4 23857 B11R1.117 FCNC1CCCCCCC1 34a_100000211152_100015361967 [0,1,0,1,0,0|2,0,0]=4 23858 B11R1.117 FCOC1CCCCCCC1 34a_100000210054_100015361967 [0,1,0,1,0,0|2,0,0]=4 23859 B11R1.117 FCOC1CCCCCCC1 7a_100000210054_100015361967 [0,1,0,1,0,0|2,0,0]=4 23860 B11R1.117 OCCN1CCCCCCC1 2230a_100000211400_100000211926 [0,1,0,1,0,0|2,0,0]=4 23861 B11R1.117 OCCN1CCCCCCC1 269982a_100000211400_100000211926 [0,1,0,1,0,0|2,0,0]=4 23862 B11R1.117 OCCN1CCCCCCC1 34a_100000211400_100000211926 [0,1,0,1,0,0|2,0,0]=4 23863 B11R1.117 [13CH3]NCC1CC/C=C\CCC1 2230a_100102730862_200025704644 [0,1,0,1,0,0|1,0,1]=4 23864 B11R1.117 [13CH3]NCC1CC/C=C\CCC1 34a_100102730862_200025704644 [0,1,0,1,0,0|1,0,1]=4 23865 B11R1.117 [13CH3]OCC1CCCCCCC1 34a_100011216312_200025704644 [0,1,0,1,0,0|1,0,0]=3 23866 B11R1.117 [13CH3]OCC1CCCCCCC1 7a_100011216312_200025704644 [0,1,0,1,0,0|1,0,0]=3 23867 B11R1.127 CCCC1CCC(C1)NCC 270004a_100015525214_200012087856 [0,1,0,1,0,0|2,0,0]=4 23868 B11R1.135 CCCN1CCCC(CC1)C 2230a_100025706717_100000210303 [0,1,0,1,0,0|2,0,0]=4 23869 B11R1.135 CCCN1CCCC(CC1)C 269982a_100025706717_100000210303 [0,1,0,1,0,0|2,0,0]=4 23870 B11R1.135 CCCN1CCCC(CC1)C 34a_100025706717_100000210303 [0,1,0,1,0,0|2,0,0]=4 23871 B11R1.135 CCCN1CCCC(CC1)O 2230a_100015186869_100000210303 [0,1,0,1,0,0|2,0,0]=4 23872 B11R1.135 CCCN1CCCC(CC1)O 269982a_100015186869_100000210303 [0,1,0,1,0,0|2,0,0]=4 23873 B11R1.180 C#CCCCN1CCC[C@@H]1C 2230a_100020605311_100000731252 [0,1,0,1,0,0|1,0,1]=4 23874 B11R1.180 C#CCCCN1CCC[C@@H]1C 269982a_100020605311_100011215417 [0,1,0,1,0,0|1,0,1]=4 23875 B11R1.180 C#CCCCN1CCC[C@H]1C 2230a_100015189458_100000731252 [0,1,0,1,0,0|1,0,1]=4 23876 B11R1.180 C#CCCCN1CCC[C@H]1C 269982a_100015189458_100011215417 [0,1,0,1,0,0|1,0,1]=4 23877 B11R1.180 C#CCCCN1CCC[C@H]1C 34a_100015189458_100000695029 [0,1,0,1,0,0|1,0,1]=4 23878 B11R1.180 C#CCCOC1CCCC1C 34a_100011216460_100000688953 [0,1,0,1,0,0|0,0,2]=4 23879 B11R1.180 C#CCCOC1CCCC1C 7a_100011216460_100000688953 [0,1,0,1,0,0|0,0,2]=4 23880 B11R1.180 C#CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000688953 [0,1,0,1,0,0|0,0,2]=4 23881 B11R1.180 C#CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000688953 [0,1,0,1,0,0|0,0,2]=4 23882 B11R1.180 C#CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000688953 [0,1,0,1,0,0|0,0,2]=4 23883 B11R1.180 C/C=C/COC1CCCC1C 34a_100011216460_100102629194 [0,1,0,1,0,0|0,0,2]=4 23884 B11R1.180 C/C=C/COC1CCCC1C 7a_100011216460_100102629194 [0,1,0,1,0,0|0,0,2]=4 23885 B11R1.180 C/C=C/CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100102629194 [0,1,0,1,0,0|0,0,2]=4 23886 B11R1.180 C/C=C/CO[C@H]1CCC[C@@H]1N 34a_100000748460_100102629194 [0,1,0,1,0,0|0,0,2]=4 23887 B11R1.180 C/C=C/CO[C@H]1CNC[C@H]1C 34a_200015306588_100102629194 [0,1,0,1,0,0|0,0,2]=4 23888 B11R1.180 C=CCCCN1CCC[C@@H]1C 2230a_100020605311_100011713584 [0,1,0,1,0,0|1,0,1]=4 23889 B11R1.180 C=CCCCN1CCC[C@@H]1C 269982a_100020605311_100000757094 [0,1,0,1,0,0|1,0,1]=4 23890 B11R1.180 C=CCCCN1CCC[C@H]1C 2230a_100015189458_100011713584 [0,1,0,1,0,0|1,0,1]=4 23891 B11R1.180 C=CCCCN1CCC[C@H]1C 269982a_100015189458_100000757094 [0,1,0,1,0,0|1,0,1]=4 23892 B11R1.180 C=CCCCN1CCC[C@H]1C 34a_100015189458_100000757094 [0,1,0,1,0,0|1,0,1]=4 23893 B11R1.180 C=CCCOC1CCCC1C 34a_100011216460_100000754431 [0,1,0,1,0,0|0,0,2]=4 23894 B11R1.180 C=CCCOC1CCCC1C 7a_100011216460_100000754431 [0,1,0,1,0,0|0,0,2]=4 23895 B11R1.180 C=CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000754431 [0,1,0,1,0,0|0,0,2]=4 23896 B11R1.180 C=CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000754431 [0,1,0,1,0,0|0,0,2]=4 23897 B11R1.180 C=CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000754431 [0,1,0,1,0,0|0,0,2]=4 23898 B11R1.180 CC#CCOC1CCCC1C 34a_100011216460_100000748600 [0,1,0,1,0,0|0,0,2]=4 23899 B11R1.180 CC#CCOC1CCCC1C 7a_100011216460_100000748600 [0,1,0,1,0,0|0,0,2]=4 23900 B11R1.180 CC#CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000748600 [0,1,0,1,0,0|0,0,2]=4 23901 B11R1.180 CC#CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000748600 [0,1,0,1,0,0|0,0,2]=4 23902 B11R1.180 CC#CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000748600 [0,1,0,1,0,0|0,0,2]=4 23903 B11R1.180 CC/C=C\CN1CCC[C@@H]1C 2230a_100020605311_100103147603 [0,1,0,1,0,0|1,0,1]=4 23904 B11R1.180 CC/C=C\CN1CCC[C@@H]1C 269982a_100020605311_100103147603 [0,1,0,1,0,0|1,0,1]=4 23905 B11R1.180 CC/C=C\CN1CCC[C@H]1C 2230a_100015189458_100103147603 [0,1,0,1,0,0|1,0,1]=4 23906 B11R1.180 CC/C=C\CN1CCC[C@H]1C 269982a_100015189458_100103147603 [0,1,0,1,0,0|1,0,1]=4 23907 B11R1.180 CC/C=C\CN1CCC[C@H]1C 34a_100015189458_100103147603 [0,1,0,1,0,0|1,0,1]=4 23908 B11R1.180 CC1CCCC1NCCCF 269862a_100015189416_100000752053 [0,1,0,1,0,0|2,0,0]=4 23909 B11R1.180 CC1CCCC1NCCCO 269862a_100000182051_100000752053 [0,1,0,1,0,0|2,0,0]=4 23910 B11R1.180 CC1CCCC1OCCC#N 7a_100011216460_100000184422 [0,1,0,1,0,0|1,0,1]=4 23911 B11R1.180 CC1CCCC1OCCCF 34a_100011216460_100011934791 [0,1,0,1,0,0|1,0,0]=3 23912 B11R1.180 CC1CCCC1OCCCF 7a_100011216460_100011934791 [0,1,0,1,0,0|1,0,0]=3 23913 B11R1.180 CC1CCCC1OCCCO 34a_100011216460_100000230001 [0,1,0,1,0,0|1,0,0]=3 23914 B11R1.180 CC1CCCC1OCCCO 7a_100011216460_100011215043 [0,1,0,1,0,0|1,0,0]=3 23915 B11R1.180 CC1OCCC1NCCCF 270004a_100015189416_100000691750 [0,1,0,1,0,0|2,0,0]=4 23916 B11R1.180 CC1OCCC1NCCCO 270004a_100000182051_100000691750 [0,1,0,1,0,0|2,0,0]=4 23917 B11R1.180 CC1SCCN1CCCCF 2230a_200011216479_100000729493 [0,1,0,1,0,0|2,0,0]=4 23918 B11R1.180 CC1SCCN1CCCCF 269982a_200011216479_100000729493 [0,1,0,1,0,0|2,0,0]=4 23919 B11R1.180 CC1SCCN1CCCCF 34a_200011216479_100000729493 [0,1,0,1,0,0|2,0,0]=4 23920 B11R1.180 CC1SCCN1CCCCO 2230a_200011216479_100000210776 [0,1,0,1,0,0|2,0,0]=4 23921 B11R1.180 CC1SCCN1CCCCO 269982a_200011216479_100000210776 [0,1,0,1,0,0|2,0,0]=4 23922 B11R1.180 CC1SCCN1CCCCO 34a_200011216479_100011216708 [0,1,0,1,0,0|2,0,0]=4 23923 B11R1.180 CC=CCOC1CCCC1C 34a_100011216460_100000070051 [0,1,0,1,0,0|0,0,2]=4 23924 B11R1.180 CC=CCOC1CCCC1C 7a_100011216460_100000070051 [0,1,0,1,0,0|0,0,2]=4 23925 B11R1.180 CC=CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000070051 [0,1,0,1,0,0|0,0,2]=4 23926 B11R1.180 CC=CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000070051 [0,1,0,1,0,0|0,0,2]=4 23927 B11R1.180 CC=CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000070051 [0,1,0,1,0,0|0,0,2]=4 23928 B11R1.180 CCC#CCN1CCC[C@@H]1C 2230a_100020605311_100009813939 [0,1,0,1,0,0|1,0,1]=4 23929 B11R1.180 CCC#CCN1CCC[C@H]1C 2230a_100015189458_100009813939 [0,1,0,1,0,0|1,0,1]=4 23930 B11R1.180 CCC#CCN1CCC[C@H]1C 34a_100015189458_100009813939 [0,1,0,1,0,0|1,0,1]=4 23931 B11R1.180 CCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210326 [0,1,0,1,0,0|1,0,0]=3 23932 B11R1.180 CCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210215 [0,1,0,1,0,0|1,0,0]=3 23933 B11R1.180 CCCCCN1CCC[C@H]1C 2230a_100015189458_100000210326 [0,1,0,1,0,0|1,0,0]=3 23934 B11R1.180 CCCCCN1CCC[C@H]1C 269982a_100015189458_100000210215 [0,1,0,1,0,0|1,0,0]=3 23935 B11R1.180 CCCCCN1CCC[C@H]1C 34a_100015189458_100000718602 [0,1,0,1,0,0|1,0,0]=3 23936 B11R1.180 CCCCCN1CCSC1C 2230a_200011216479_100000210326 [0,1,0,1,0,0|1,0,0]=3 23937 B11R1.180 CCCCCN1CCSC1C 269982a_200011216479_100000210215 [0,1,0,1,0,0|1,0,0]=3 23938 B11R1.180 CCCCCN1CCSC1C 34a_200011216479_100000718602 [0,1,0,1,0,0|1,0,0]=3 23939 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [0,1,0,1,0,0|1,0,1]=4 23940 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [0,1,0,1,0,0|1,0,1]=4 23941 B11R1.180 CCCCNC1CCCC1C 269862a_100000102301_100000752053 [0,1,0,1,0,0|1,0,0]=3 23942 B11R1.180 CCCCNC1CCOC1C 270004a_100000102301_100000691750 [0,1,0,1,0,0|1,0,0]=3 23943 B11R1.180 CCCCNC1COCC1O 7a_106832991798_200000725654 [0,1,0,1,0,0|2,0,0]=4 23944 B11R1.180 CCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210211 [0,1,0,1,0,0|2,0,0]=4 23945 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [0,1,0,1,0,0|0,0,1]=3 23946 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [0,1,0,1,0,0|0,0,1]=3 23947 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [0,1,0,1,0,0|0,0,1]=3 23948 B11R1.180 CCCCOC1CCCC1C 34a_100011216460_100000210210 [0,1,0,1,0,0|0,0,0]=2 23949 B11R1.180 CCCCOC1CCCC1C 7a_100011216460_100000210211 [0,1,0,1,0,0|0,0,0]=2 23950 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [0,1,0,1,0,0|1,0,1]=4 23951 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [0,1,0,1,0,0|1,0,1]=4 23952 B11R1.180 CCCCOC1COCC1O 34a_100000210227_200000725654 [0,1,0,1,0,0|1,0,0]=3 23953 B11R1.180 CCCCOC1COCC1O 7a_100000210227_200000725654 [0,1,0,1,0,0|1,0,0]=3 23954 B11R1.180 CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210210 [0,1,0,1,0,0|0,0,0]=2 23955 B11R1.180 CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210210 [0,1,0,1,0,0|0,0,0]=2 23956 B11R1.180 CCCCO[C@H]1CCNC1=O 34a_100000688343_100000210210 [0,1,0,1,0,0|1,0,1]=4 23957 B11R1.180 CCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210210 [0,1,0,1,0,0|0,0,0]=2 23958 B11R1.180 CCCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210210 [0,1,0,1,0,0|1,0,0]=3 23959 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [0,1,0,1,0,0|0,1,1]=4 23960 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [0,1,0,1,0,0|0,1,1]=4 23961 B11R1.180 CCCCSC1COCC1O 62a_100000210211_200000725654 [0,1,0,1,0,0|1,1,0]=4 23962 B11R1.180 CCCCSC1COCC1O 62a_200000725654_100000210210 [0,1,0,1,0,0|1,1,0]=4 23963 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_100000210211_200016002552 [0,1,0,1,0,0|0,1,0]=3 23964 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210210 [0,1,0,1,0,0|0,1,0]=3 23965 B11R1.180 CCCNN=C1CCCC1C 4a_100000740057_100000752053 [0,1,0,1,0,0|2,0,0]=4 23966 B11R1.180 CCCOCC1CCCN1C 34a_100000743107_100000210303 [0,1,0,1,0,0|2,0,0]=4 23967 B11R1.180 CCNCCC1CCCN1C 2230a_100015525214_100000005710 [0,1,0,1,0,0|2,0,0]=4 23968 B11R1.180 CCOCCC1CCCN1C 34a_100011215177_100000210202 [0,1,0,1,0,0|2,0,0]=4 23969 B11R1.180 CCOCCC1CCCN1C 34a_100121572206_100000005710 [0,1,0,1,0,0|2,0,0]=4 23970 B11R1.180 CCOCCC1CCCN1C 7a_100011215177_100000210202 [0,1,0,1,0,0|2,0,0]=4 23971 B11R1.180 CCOCCN1CCC[C@@H]1C 2230a_100020605311_100011215890 [0,1,0,1,0,0|1,0,0]=3 23972 B11R1.180 CCOCCN1CCC[C@@H]1C 269982a_100020605311_100011215890 [0,1,0,1,0,0|1,0,0]=3 23973 B11R1.180 CCOCCN1CCC[C@H]1C 2230a_100015189458_100011215890 [0,1,0,1,0,0|1,0,0]=3 23974 B11R1.180 CCOCCN1CCC[C@H]1C 269982a_100015189458_100011215890 [0,1,0,1,0,0|1,0,0]=3 23975 B11R1.180 CCOCCN1CCC[C@H]1C 34a_100015189458_100000210147 [0,1,0,1,0,0|1,0,0]=3 23976 B11R1.180 CCOCCN1CCSC1C 2230a_200011216479_100011215890 [0,1,0,1,0,0|2,0,0]=4 23977 B11R1.180 CCOCCN1CCSC1C 269982a_200011216479_100011215890 [0,1,0,1,0,0|2,0,0]=4 23978 B11R1.180 CCOCCN1CCSC1C 34a_200011216479_100000210147 [0,1,0,1,0,0|2,0,0]=4 23979 B11R1.180 CCOCS[C@@H]1CCC[C@H]1O 62a_100000739092_200016002552 [0,1,0,1,0,0|1,1,0]=4 23980 B11R1.180 CCOCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000739092 [0,1,0,1,0,0|1,1,0]=4 23981 B11R1.180 CCSCCC1CCCN1C 62a_100000005710_100000210202 [0,1,0,1,0,0|2,0,0]=4 23982 B11R1.180 CCSCCC1CCCN1C 62a_100000210202_100000005710 [0,1,0,1,0,0|2,0,0]=4 23983 B11R1.180 CCSCCN1CCC[C@@H]1C 2230a_100020605311_100000757381 [0,1,0,1,0,0|1,0,0]=3 23984 B11R1.180 CCSCCN1CCC[C@@H]1C 269982a_100020605311_100000757381 [0,1,0,1,0,0|1,0,0]=3 23985 B11R1.180 CCSCCN1CCC[C@H]1C 2230a_100015189458_100000757381 [0,1,0,1,0,0|1,0,0]=3 23986 B11R1.180 CCSCCN1CCC[C@H]1C 269982a_100015189458_100000757381 [0,1,0,1,0,0|1,0,0]=3 23987 B11R1.180 CCSCCN1CCC[C@H]1C 34a_100015189458_100000757381 [0,1,0,1,0,0|1,0,0]=3 23988 B11R1.180 CCSCCN1CCSC1C 2230a_200011216479_100000757381 [0,1,0,1,0,0|2,0,0]=4 23989 B11R1.180 CCSCCN1CCSC1C 269982a_200011216479_100000757381 [0,1,0,1,0,0|2,0,0]=4 23990 B11R1.180 CCSCCN1CCSC1C 34a_200011216479_100000757381 [0,1,0,1,0,0|2,0,0]=4 23991 B11R1.180 COCCCN1CCC[C@@H]1C 2230a_100020605311_100000740836 [0,1,0,1,0,0|1,0,0]=3 23992 B11R1.180 COCCCN1CCC[C@@H]1C 269982a_100020605311_100000740836 [0,1,0,1,0,0|1,0,0]=3 23993 B11R1.180 COCCCN1CCC[C@H]1C 2230a_100015189458_100000740836 [0,1,0,1,0,0|1,0,0]=3 23994 B11R1.180 COCCCN1CCC[C@H]1C 269982a_100015189458_100000740836 [0,1,0,1,0,0|1,0,0]=3 23995 B11R1.180 COCCCN1CCC[C@H]1C 34a_100015189458_100000740836 [0,1,0,1,0,0|1,0,0]=3 23996 B11R1.180 COCCCN1CCSC1C 2230a_200011216479_100000740836 [0,1,0,1,0,0|2,0,0]=4 23997 B11R1.180 COCCCN1CCSC1C 269982a_200011216479_100000740836 [0,1,0,1,0,0|2,0,0]=4 23998 B11R1.180 COCCCN1CCSC1C 34a_200011216479_100000740836 [0,1,0,1,0,0|2,0,0]=4 23999 B11R1.180 COCCNC1CCCC1C 269862a_100000209980_100000752053 [0,1,0,1,0,0|2,0,0]=4 24000 B11R1.180 COCCNC1CCOC1C 270004a_100000209980_100000691750 [0,1,0,1,0,0|2,0,0]=4 24001 B11R1.180 COCCOC1CCCC1=O 34a_100000210237_100000709159 [0,1,0,1,0,0|1,0,1]=4 24002 B11R1.180 COCCOC1CCCC1=O 34a_200000719330_100011201679 [0,1,0,1,0,0|1,0,1]=4 24003 B11R1.180 COCCOC1CCCC1C 34a_100011216460_100011201679 [0,1,0,1,0,0|1,0,0]=3 24004 B11R1.180 COCCOC1CCCC1C 7a_100011216460_100000233755 [0,1,0,1,0,0|1,0,0]=3 24005 B11R1.180 COCCOC1COCC1O 34a_100000210237_200000725654 [0,1,0,1,0,0|2,0,0]=4 24006 B11R1.180 COCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011201679 [0,1,0,1,0,0|1,0,0]=3 24007 B11R1.180 COCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100011201679 [0,1,0,1,0,0|1,0,0]=3 24008 B11R1.180 COCCO[C@H]1CNC[C@H]1C 34a_200015306588_100011201679 [0,1,0,1,0,0|1,0,0]=3 24009 B11R1.180 COCCO[C@H]1COC[C@@H]1N 34a_100015191717_100011201679 [0,1,0,1,0,0|2,0,0]=4 24010 B11R1.180 COCCS[C@@H]1CCC[C@H]1O 62a_100000233755_200016002552 [0,1,0,1,0,0|1,1,0]=4 24011 B11R1.180 COCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000233755 [0,1,0,1,0,0|1,1,0]=4 24012 B11R1.180 CSCCNC1CCCC1C 269862a_100020590264_100000752053 [0,1,0,1,0,0|2,0,0]=4 24013 B11R1.180 CSCCNC1CCOC1C 270004a_100020590264_100000691750 [0,1,0,1,0,0|2,0,0]=4 24014 B11R1.180 CSCCOC1CCCC1=O 34a_100000230434_100000709159 [0,1,0,1,0,0|1,0,1]=4 24015 B11R1.180 CSCCOC1CCCC1=O 34a_200000719330_100000212216 [0,1,0,1,0,0|1,0,1]=4 24016 B11R1.180 CSCCOC1CCCC1=O 7a_100000230434_100000211823 [0,1,0,1,0,0|1,0,1]=4 24017 B11R1.180 CSCCOC1CCCC1C 34a_100011216460_100000212216 [0,1,0,1,0,0|1,0,0]=3 24018 B11R1.180 CSCCOC1CCCC1C 7a_100011216460_100000212216 [0,1,0,1,0,0|1,0,0]=3 24019 B11R1.180 CSCCOC1COCC1O 34a_100000230434_200000725654 [0,1,0,1,0,0|2,0,0]=4 24020 B11R1.180 CSCCOC1COCC1O 7a_100000230434_200000725654 [0,1,0,1,0,0|2,0,0]=4 24021 B11R1.180 CSCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000212216 [0,1,0,1,0,0|1,0,0]=3 24022 B11R1.180 CSCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000212216 [0,1,0,1,0,0|1,0,0]=3 24023 B11R1.180 CSCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000212216 [0,1,0,1,0,0|1,0,0]=3 24024 B11R1.180 CSCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000212216 [0,1,0,1,0,0|2,0,0]=4 24025 B11R1.180 CSCCS[C@@H]1CCC[C@H]1O 62a_100000212216_200016002552 [0,1,0,1,0,0|1,1,0]=4 24026 B11R1.180 CSCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000751147 [0,1,0,1,0,0|1,1,0]=4 24027 B11R1.180 C[C@@H]1CCCN1CCCC#N 2230a_100015189458_100000687738 [0,1,0,1,0,0|1,0,1]=4 24028 B11R1.180 C[C@@H]1CCCN1CCCC#N 269982a_100015189458_100000687738 [0,1,0,1,0,0|1,0,1]=4 24029 B11R1.180 C[C@@H]1CCCN1CCCC=O 2230a_100015189458_200011292268 [0,1,0,1,0,0|1,0,1]=4 24030 B11R1.180 C[C@@H]1CCCN1CCCC=O 269982a_100015189458_200011292268 [0,1,0,1,0,0|1,0,1]=4 24031 B11R1.180 C[C@@H]1CCCN1CCCCF 2230a_100015189458_100000729493 [0,1,0,1,0,0|1,0,0]=3 24032 B11R1.180 C[C@@H]1CCCN1CCCCF 269982a_100015189458_100000729493 [0,1,0,1,0,0|1,0,0]=3 24033 B11R1.180 C[C@@H]1CCCN1CCCCF 34a_100015189458_100000729493 [0,1,0,1,0,0|1,0,0]=3 24034 B11R1.180 C[C@@H]1CCCN1CCCCO 2230a_100015189458_100000210776 [0,1,0,1,0,0|1,0,0]=3 24035 B11R1.180 C[C@@H]1CCCN1CCCCO 269982a_100015189458_100000210776 [0,1,0,1,0,0|1,0,0]=3 24036 B11R1.180 C[C@@H]1CCCN1CCCCO 34a_100015189458_100011216708 [0,1,0,1,0,0|1,0,0]=3 24037 B11R1.180 C[C@@H]1CNC[C@@H]1OCCCF 34a_200015306588_100011934791 [0,1,0,1,0,0|1,0,0]=3 24038 B11R1.180 C[C@@H]1CNC[C@@H]1OCCCO 34a_200015306588_100000230001 [0,1,0,1,0,0|1,0,0]=3 24039 B11R1.180 C[C@H]1CCCN1CCCC#N 2230a_100020605311_100000687738 [0,1,0,1,0,0|1,0,1]=4 24040 B11R1.180 C[C@H]1CCCN1CCCC#N 269982a_100020605311_100000687738 [0,1,0,1,0,0|1,0,1]=4 24041 B11R1.180 C[C@H]1CCCN1CCCC=O 2230a_100020605311_200011292268 [0,1,0,1,0,0|1,0,1]=4 24042 B11R1.180 C[C@H]1CCCN1CCCC=O 269982a_100020605311_200011292268 [0,1,0,1,0,0|1,0,1]=4 24043 B11R1.180 C[C@H]1CCCN1CCCCF 2230a_100020605311_100000729493 [0,1,0,1,0,0|1,0,0]=3 24044 B11R1.180 C[C@H]1CCCN1CCCCF 269982a_100020605311_100000729493 [0,1,0,1,0,0|1,0,0]=3 24045 B11R1.180 C[C@H]1CCCN1CCCCO 2230a_100020605311_100000210776 [0,1,0,1,0,0|1,0,0]=3 24046 B11R1.180 C[C@H]1CCCN1CCCCO 269982a_100020605311_100000210776 [0,1,0,1,0,0|1,0,0]=3 24047 B11R1.180 FCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011934791 [0,1,0,1,0,0|1,0,0]=3 24048 B11R1.180 NCCCOC1CCCC1=O 34a_100000182051_100000709159 [0,1,0,1,0,0|1,0,1]=4 24049 B11R1.180 NCCCOC1COCC1O 34a_100000182051_200000725654 [0,1,0,1,0,0|2,0,0]=4 24050 B11R1.180 N[C@H]1CCC[C@@H]1OCCCF 34a_100000748460_100011934791 [0,1,0,1,0,0|1,0,0]=3 24051 B11R1.180 N[C@H]1CCC[C@@H]1OCCCO 34a_100000748460_100000230001 [0,1,0,1,0,0|1,0,0]=3 24052 B11R1.180 N[C@H]1COC[C@@H]1OCCCF 34a_100015191717_100011934791 [0,1,0,1,0,0|2,0,0]=4 24053 B11R1.180 N[C@H]1COC[C@@H]1OCCCO 34a_100015191717_100000230001 [0,1,0,1,0,0|2,0,0]=4 24054 B11R1.180 O=C1CCCC1OCCCBr 34a_100011217188_100000709159 [0,1,0,1,0,0|1,0,1]=4 24055 B11R1.180 O=C1CCCC1OCCCCl 34a_100000230001_100000709159 [0,1,0,1,0,0|1,0,1]=4 24056 B11R1.180 O=C1CCCC1OCCCF 34a_100000759539_100000709159 [0,1,0,1,0,0|1,0,1]=4 24057 B11R1.180 O=C1CCCC1OCCCF 34a_200000719330_100011934791 [0,1,0,1,0,0|1,0,1]=4 24058 B11R1.180 O=C1CCCC1OCCCO 34a_200000719330_100000230001 [0,1,0,1,0,0|1,0,1]=4 24059 B11R1.180 OC1COCC1OCCCBr 34a_100011217188_200000725654 [0,1,0,1,0,0|2,0,0]=4 24060 B11R1.180 OC1COCC1OCCCCl 34a_100000230001_200000725654 [0,1,0,1,0,0|2,0,0]=4 24061 B11R1.180 OC1COCC1OCCCF 34a_100000759539_200000725654 [0,1,0,1,0,0|2,0,0]=4 24062 B11R1.180 OCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000230001 [0,1,0,1,0,0|1,0,0]=3 24063 B11R1.180 OCCCS[C@@H]1CCC[C@H]1O 62a_100011215043_200016002552 [0,1,0,1,0,0|1,1,0]=4 24064 B11R1.180 OCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215043 [0,1,0,1,0,0|1,1,0]=4 24065 B11R1.180 O[C@@H]1CCC[C@H]1SCCCF 62a_100011934791_200016002552 [0,1,0,1,0,0|1,1,0]=4 24066 B11R1.180 O[C@@H]1CCC[C@H]1SCCCF 62a_200016002552_100011934791 [0,1,0,1,0,0|1,1,0]=4 24067 B11R1.189 CCCC1CC(CCN1)NC 270004a_106832991635_100016991347 [0,1,0,1,0,0|2,0,0]=4 24068 B11R1.189 CCN1CCOC(C1)COC 2230a_100000760289_100000210202 [0,1,0,1,0,0|2,0,0]=4 24069 B11R1.189 CCN1CCOC(C1)COC 269982a_100000760289_100000204670 [0,1,0,1,0,0|2,0,0]=4 24070 B11R1.189 CCN1CCOC(C1)COC 34a_100000760289_100000210202 [0,1,0,1,0,0|2,0,0]=4 24071 B11R1.189 CCNC1CCCC(C1)CC 270004a_100015525214_100000756783 [0,1,0,1,0,0|2,0,0]=4 24072 B11R1.189 CCOC1CCCC(C1)CC 7a_100011985506_100000210202 [0,1,0,1,0,0|2,0,0]=4 24073 B11R1.199 CC(CCO)N1CCC[C@@H]1C 2230a_100020605311_100009893172 [0,1,0,1,0,0|2,0,0]=4 24074 B11R1.199 CC(CCO)N1CCC[C@@H]1C 269982a_100020605311_100009893172 [0,1,0,1,0,0|2,0,0]=4 24075 B11R1.199 CC(CCO)N1CCC[C@H]1C 2230a_100015189458_100009893172 [0,1,0,1,0,0|2,0,0]=4 24076 B11R1.199 CC(CCO)N1CCC[C@H]1C 269982a_100015189458_100009893172 [0,1,0,1,0,0|2,0,0]=4 24077 B11R1.199 CC(CCO)N1CCC[C@H]1C 34a_100015189458_100009893172 [0,1,0,1,0,0|2,0,0]=4 24078 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [0,1,0,1,0,0|1,0,1]=4 24079 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211992 [0,1,0,1,0,0|1,0,1]=4 24080 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211992 [0,1,0,1,0,0|1,0,1]=4 24081 B11R1.199 CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211992 [0,1,0,1,0,0|1,0,1]=4 24082 B11R1.199 CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211992 [0,1,0,1,0,0|1,0,1]=4 24083 B11R1.199 CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211992 [0,1,0,1,0,0|1,0,1]=4 24084 B11R1.199 CCCC(C)N1CCC[C@@H]1C 2230a_100020605311_100000766640 [0,1,0,1,0,0|1,0,0]=3 24085 B11R1.199 CCCC(C)N1CCC[C@@H]1C 269982a_100020605311_100000766640 [0,1,0,1,0,0|1,0,0]=3 24086 B11R1.199 CCCC(C)N1CCC[C@@H]1C 270004a_100020605311_100000211909 [0,1,0,1,0,0|1,0,0]=3 24087 B11R1.199 CCCC(C)N1CCC[C@H]1C 2230a_100015189458_100000766640 [0,1,0,1,0,0|1,0,0]=3 24088 B11R1.199 CCCC(C)N1CCC[C@H]1C 269982a_100015189458_100000766640 [0,1,0,1,0,0|1,0,0]=3 24089 B11R1.199 CCCC(C)N1CCC[C@H]1C 270004a_100015189458_100000211909 [0,1,0,1,0,0|1,0,0]=3 24090 B11R1.199 CCCC(C)N1CCC[C@H]1C 34a_100015189458_100000766640 [0,1,0,1,0,0|1,0,0]=3 24091 B11R1.199 CCCC(C)N1CCSC1C 2230a_200011216479_100000766640 [0,1,0,1,0,0|2,0,0]=4 24092 B11R1.199 CCCC(C)N1CCSC1C 269982a_200011216479_100000766640 [0,1,0,1,0,0|2,0,0]=4 24093 B11R1.199 CCCC(C)N1CCSC1C 270004a_200011216479_100000211909 [0,1,0,1,0,0|2,0,0]=4 24094 B11R1.199 CCCC(C)N1CCSC1C 34a_200011216479_100000766640 [0,1,0,1,0,0|2,0,0]=4 24095 B11R1.199 COCC(C)N1CCC[C@@H]1C 2230a_100020605311_100000765312 [0,1,0,1,0,0|2,0,0]=4 24096 B11R1.199 COCC(C)N1CCC[C@@H]1C 269982a_100020605311_100000765312 [0,1,0,1,0,0|2,0,0]=4 24097 B11R1.199 COCC(C)N1CCC[C@@H]1C 270004a_100020605311_100000749346 [0,1,0,1,0,0|2,0,0]=4 24098 B11R1.199 COCC(C)N1CCC[C@H]1C 2230a_100015189458_100000765312 [0,1,0,1,0,0|2,0,0]=4 24099 B11R1.199 COCC(C)N1CCC[C@H]1C 269982a_100015189458_100000765312 [0,1,0,1,0,0|2,0,0]=4 24100 B11R1.199 COCC(C)N1CCC[C@H]1C 270004a_100015189458_100000749346 [0,1,0,1,0,0|2,0,0]=4 24101 B11R1.199 COCC(C)N1CCC[C@H]1C 34a_100015189458_100000765312 [0,1,0,1,0,0|2,0,0]=4 24102 B11R1.199 CSCC(C)N1CCC[C@@H]1C 270004a_100020605311_100011216314 [0,1,0,1,0,0|2,0,0]=4 24103 B11R1.199 CSCC(C)N1CCC[C@H]1C 270004a_100015189458_100011216314 [0,1,0,1,0,0|2,0,0]=4 24104 B11R1.210 CCCCN1CC(C1)COC 2230a_100016993750_100000210211 [0,1,0,1,0,0|2,0,0]=4 24105 B11R1.210 CCCCN1CC(C1)COC 269982a_100016993750_100000210211 [0,1,0,1,0,0|2,0,0]=4 24106 B11R1.210 CCCCN1CC(C1)COC 34a_100016993750_100000210210 [0,1,0,1,0,0|2,0,0]=4 24107 B11R1.210 CCCCN1CC(C1)OCC 269982a_100000732654_100000210211 [0,1,0,1,0,0|2,0,0]=4 24108 B11R1.210 CCCCN1CC(C1)OCC 34a_100000732654_100000210210 [0,1,0,1,0,0|2,0,0]=4 24109 B11R1.288 CC(CC#N)OCC1CC1C 7a_100000744939_100009813641 [0,1,0,1,0,0|1,0,1]=4 24110 B11R1.288 CC(CCO)OCC1CC1C 34a_100000744939_100009893172 [0,1,0,1,0,0|1,0,0]=3 24111 B11R1.288 CC(CCO)OCC1CC1C 7a_100000744939_100009893172 [0,1,0,1,0,0|1,0,0]=3 24112 B11R1.288 CCCC(C)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100011216630 [0,1,0,1,0,0|2,0,0]=4 24113 B11R1.288 CCCC(C)CN[C@@H]1C[C@H]1F 2230a_100025746932_100011216630 [0,1,0,1,0,0|2,0,0]=4 24114 B11R1.288 CCCC(C)CN[C@@H]1C[C@H]1F 34a_100025746932_100011216630 [0,1,0,1,0,0|2,0,0]=4 24115 B11R1.288 CCCC(C)OCC1CC1C 34a_100000744939_100000766640 [0,1,0,1,0,0|0,0,0]=2 24116 B11R1.288 CCCC(C)OCC1CC1C 7a_100000744939_100000766640 [0,1,0,1,0,0|0,0,0]=2 24117 B11R1.288 COCC(C)OCC1CC1C 34a_100000744939_100000765312 [0,1,0,1,0,0|1,0,0]=3 24118 B11R1.288 COCC(C)OCC1CC1C 7a_100000744939_100000765312 [0,1,0,1,0,0|1,0,0]=3 24119 B11R1.289 C#CCC(C)OCC1CCC1 34a_100000685586_100000763275 [0,1,0,1,0,0|0,0,2]=4 24120 B11R1.289 C#CCC(C)OCC1CCC1 7a_100000685586_100000763275 [0,1,0,1,0,0|0,0,2]=4 24121 B11R1.289 C/C=C/C(C)OCC1CCC1 34a_200102604097_100000763275 [0,1,0,1,0,0|0,0,2]=4 24122 B11R1.289 C=CCC(C)COC1CCC1 34a_100009832082_100000749161 [0,1,0,1,0,0|0,0,2]=4 24123 B11R1.289 C=CC[C@@H](C)OCC1CCC1 34a_100000731007_100000763275 [0,1,0,1,0,0|0,0,2]=4 24124 B11R1.289 C=CC[C@@H](C)OCC1CCC1 7a_100000731007_100000763275 [0,1,0,1,0,0|0,0,2]=4 24125 B11R1.289 C=CC[C@@H](N)COC1CCC1 34a_100020615467_100000749161 [0,1,0,1,0,0|0,0,2]=4 24126 B11R1.289 CC#CC(C)OCC1CCC1 34a_100011216543_100000763275 [0,1,0,1,0,0|0,0,2]=4 24127 B11R1.289 CC(CCBr)OCC1CCC1 34a_100012276601_100000763275 [0,1,0,1,0,0|1,0,0]=3 24128 B11R1.289 CC(CCBr)OCC1CCO1 34a_100012276601_100000103362 [0,1,0,1,0,0|2,0,0]=4 24129 B11R1.289 CC(CCBr)OCC1COC1 34a_100012276601_100010264016 [0,1,0,1,0,0|2,0,0]=4 24130 B11R1.289 CC(CCN)COC1CCC1 34a_106354213184_100000749161 [0,1,0,1,0,0|1,0,0]=3 24131 B11R1.289 CC(CCN)COC1COC1 34a_106354213184_100009818527 [0,1,0,1,0,0|2,0,0]=4 24132 B11R1.289 CC(CCO)NCC1CCC1 2230a_100000738700_100009893172 [0,1,0,1,0,0|2,0,0]=4 24133 B11R1.289 CC(CCO)NCC1CCC1 34a_100000738700_100009893172 [0,1,0,1,0,0|2,0,0]=4 24134 B11R1.289 CC(CCO)OCC1CCC1 34a_100000760304_100009893172 [0,1,0,1,0,0|1,0,0]=3 24135 B11R1.289 CC(CCO)OCC1CCO1 34a_100000039022_100009893172 [0,1,0,1,0,0|2,0,0]=4 24136 B11R1.289 CC(CCO)OCC1CNC1 34a_100016987283_100009893172 [0,1,0,1,0,0|2,0,0]=4 24137 B11R1.289 CC(CCO)OCC1COC1 34a_100000060846_100009893172 [0,1,0,1,0,0|2,0,0]=4 24138 B11R1.289 CC(CCO)SCC1CCC1 62a_100000763275_100009893172 [0,1,0,1,0,0|1,1,0]=4 24139 B11R1.289 CC(CCO)SCC1CCC1 62a_100009893172_100000763275 [0,1,0,1,0,0|1,1,0]=4 24140 B11R1.289 CCCC(=O)CNC1CCC1 2230a_100000749019_100000747444 [0,1,0,1,0,0|1,0,1]=4 24141 B11R1.289 CCCC(=O)COC1CSC1 7a_100000072292_100000747444 [0,1,0,1,0,0|1,0,1]=4 24142 B11R1.289 CCCC(=O)CSC1CCC1 62a_100000747444_100000749161 [0,1,0,1,0,0|0,1,1]=4 24143 B11R1.289 CCCC(=O)NCC1CCC1 11a_100000738700_100000211992 [0,1,0,1,0,0|1,0,1]=4 24144 B11R1.289 CCCC(=O)NCC1CCC1 1626a_100000738700_100000211992 [0,1,0,1,0,0|1,0,1]=4 24145 B11R1.289 CCCC(=O)NCC1CCC1 240690a_100000738700_100000211992 [0,1,0,1,0,0|1,0,1]=4 24146 B11R1.289 CCCC(=O)NCC1CCC1 527a_100000738700_100000211992 [0,1,0,1,0,0|1,0,1]=4 24147 B11R1.289 CCCC(=O)OCN1CCC1 269982a_100000754969_100000034017 [0,1,0,1,0,0|1,0,1]=4 24148 B11R1.289 CCCC(C)CNC1CCC1 2230a_100000749019_100011216630 [0,1,0,1,0,0|1,0,0]=3 24149 B11R1.289 CCCC(C)CNC1CCC1 34a_100000749019_100011216630 [0,1,0,1,0,0|1,0,0]=3 24150 B11R1.289 CCCC(C)CNC1COC1 2230a_100016991112_100011216630 [0,1,0,1,0,0|2,0,0]=4 24151 B11R1.289 CCCC(C)CNC1COC1 270004a_100016991112_100000243154 [0,1,0,1,0,0|2,0,0]=4 24152 B11R1.289 CCCC(C)CNC1CSC1 270004a_100016994217_100000243154 [0,1,0,1,0,0|2,0,0]=4 24153 B11R1.289 CCCC(C)COC1CCC1 34a_100000688023_100000749161 [0,1,0,1,0,0|0,0,0]=2 24154 B11R1.289 CCCC(C)COC1CCC1 34a_100000748187_100011216630 [0,1,0,1,0,0|0,0,0]=2 24155 B11R1.289 CCCC(C)COC1COC1 34a_100000688023_100009818527 [0,1,0,1,0,0|1,0,0]=3 24156 B11R1.289 CCCC(C)COC1COC1 7a_100000688023_100009818527 [0,1,0,1,0,0|1,0,0]=3 24157 B11R1.289 CCCC(C)COC1CSC1 7a_100000072292_100011216630 [0,1,0,1,0,0|1,0,0]=3 24158 B11R1.289 CCCC(C)CSC1CCC1 62a_100011216630_100000749161 [0,1,0,1,0,0|0,1,0]=3 24159 B11R1.289 CCCC(C)CSC1COC1 62a_100011216630_100009818527 [0,1,0,1,0,0|1,1,0]=4 24160 B11R1.289 CCCC(C)NCC1CCC1 2230a_100000738700_100000766640 [0,1,0,1,0,0|1,0,0]=3 24161 B11R1.289 CCCC(C)NCC1CCC1 2230a_100000741246_100000763275 [0,1,0,1,0,0|1,0,0]=3 24162 B11R1.289 CCCC(C)NCC1CCC1 269862a_100000741246_100000753134 [0,1,0,1,0,0|1,0,0]=3 24163 B11R1.289 CCCC(C)NCC1CCC1 270004a_100000738700_100000211909 [0,1,0,1,0,0|1,0,0]=3 24164 B11R1.289 CCCC(C)NCC1CCC1 34a_100000738700_100000766640 [0,1,0,1,0,0|1,0,0]=3 24165 B11R1.289 CCCC(C)NCC1CCO1 2230a_100000741246_100000103362 [0,1,0,1,0,0|2,0,0]=4 24166 B11R1.289 CCCC(C)NCC1COC1 2230a_100000741246_100010264016 [0,1,0,1,0,0|2,0,0]=4 24167 B11R1.289 CCCC(C)NCC1COC1 2230a_100015281925_100000766640 [0,1,0,1,0,0|2,0,0]=4 24168 B11R1.289 CCCC(C)NCC1COC1 270004a_100015281925_100000211909 [0,1,0,1,0,0|2,0,0]=4 24169 B11R1.289 CCCC(C)NCC1COC1 34a_100015281925_100000766640 [0,1,0,1,0,0|2,0,0]=4 24170 B11R1.289 CCCC(C)NC[C@@H]1CCO1 2230a_100020831831_100000766640 [0,1,0,1,0,0|2,0,0]=4 24171 B11R1.289 CCCC(C)NC[C@@H]1CCO1 270004a_100020831831_100000211909 [0,1,0,1,0,0|2,0,0]=4 24172 B11R1.289 CCCC(C)NC[C@@H]1CCO1 34a_100020831831_100000766640 [0,1,0,1,0,0|2,0,0]=4 24173 B11R1.289 CCCC(C)OCC1CCC1 34a_100000760304_100000766640 [0,1,0,1,0,0|0,0,0]=2 24174 B11R1.289 CCCC(C)OCC1CCC1 34a_100000764384_100000763275 [0,1,0,1,0,0|0,0,0]=2 24175 B11R1.289 CCCC(C)OCC1CCC1 7a_100000764384_100000763275 [0,1,0,1,0,0|0,0,0]=2 24176 B11R1.289 CCCC(C)OCC1CCO1 34a_100000039022_100000766640 [0,1,0,1,0,0|1,0,0]=3 24177 B11R1.289 CCCC(C)OCC1CCO1 34a_100000764384_100000103362 [0,1,0,1,0,0|1,0,0]=3 24178 B11R1.289 CCCC(C)OCC1CCO1 7a_100000764384_100000103362 [0,1,0,1,0,0|1,0,0]=3 24179 B11R1.289 CCCC(C)OCC1CNC1 34a_100016987283_100000766640 [0,1,0,1,0,0|1,0,0]=3 24180 B11R1.289 CCCC(C)OCC1COC1 34a_100000060846_100000766640 [0,1,0,1,0,0|1,0,0]=3 24181 B11R1.289 CCCC(C)OCC1COC1 34a_100000764384_100010264016 [0,1,0,1,0,0|1,0,0]=3 24182 B11R1.289 CCCC(C)OCC1COC1 7a_100000764384_100010264016 [0,1,0,1,0,0|1,0,0]=3 24183 B11R1.289 CCCC(C)SCC1CCC1 62a_100000763275_100000766640 [0,1,0,1,0,0|0,1,0]=3 24184 B11R1.289 CCCC(C)SCC1CCC1 62a_100000766640_100000763275 [0,1,0,1,0,0|0,1,0]=3 24185 B11R1.289 CCCC(C)SCC1CCO1 62a_100000103362_100000766640 [0,1,0,1,0,0|1,1,0]=4 24186 B11R1.289 CCCC(C)SCC1CCO1 62a_100000766640_100000103362 [0,1,0,1,0,0|1,1,0]=4 24187 B11R1.289 CCCC(C)SCC1COC1 62a_100000766640_100010264016 [0,1,0,1,0,0|1,1,0]=4 24188 B11R1.289 CCCC(C)SCC1COC1 62a_100010264016_100000766640 [0,1,0,1,0,0|1,1,0]=4 24189 B11R1.289 CCC[C@H](N)COC1CCC1 34a_100000732646_100000749161 [0,1,0,1,0,0|0,0,0]=2 24190 B11R1.289 CCC[C@H](N)COC1COC1 34a_100000732646_100009818527 [0,1,0,1,0,0|1,0,0]=3 24191 B11R1.289 CCNC(=O)COC1CCC1 34a_100000748187_100000183381 [0,1,0,1,0,0|1,0,1]=4 24192 B11R1.289 CCOC(=O)COC1CCC1 34a_100000748187_100000188475 [0,1,0,1,0,0|1,0,1]=4 24193 B11R1.289 COCC(C)NCC1CCC1 2230a_100000738700_100000765312 [0,1,0,1,0,0|2,0,0]=4 24194 B11R1.289 COCC(C)NCC1CCC1 270004a_100000738700_100000749346 [0,1,0,1,0,0|2,0,0]=4 24195 B11R1.289 COCC(C)NCC1CCC1 34a_100000738700_100000765312 [0,1,0,1,0,0|2,0,0]=4 24196 B11R1.289 COCC(C)OCC1CCC1 34a_100000760304_100000765312 [0,1,0,1,0,0|1,0,0]=3 24197 B11R1.289 COCC(C)OCC1CCO1 34a_100000039022_100000765312 [0,1,0,1,0,0|2,0,0]=4 24198 B11R1.289 COCC(C)OCC1CNC1 34a_100016987283_100000765312 [0,1,0,1,0,0|2,0,0]=4 24199 B11R1.289 COCC(C)OCC1COC1 34a_100000060846_100000765312 [0,1,0,1,0,0|2,0,0]=4 24200 B11R1.289 COCC(C)SCC1CCC1 62a_100000763275_100000765312 [0,1,0,1,0,0|1,1,0]=4 24201 B11R1.289 COCC(C)SCC1CCC1 62a_100000765312_100000763275 [0,1,0,1,0,0|1,1,0]=4 24202 B11R1.289 COCC(N)COC1CCC1 34a_100000724102_100000749161 [0,1,0,1,0,0|1,0,0]=3 24203 B11R1.289 COCC(N)COC1COC1 34a_100000724102_100009818527 [0,1,0,1,0,0|2,0,0]=4 24204 B11R1.289 COCC(O)CNC1CCC1 270004a_100000756049_100000241760 [0,1,0,1,0,0|2,0,0]=4 24205 B11R1.289 COCC(O)CNC1CCC1 34a_100000749019_100011215053 [0,1,0,1,0,0|2,0,0]=4 24206 B11R1.289 COCC(O)CNC1CCC1 34a_100000756049_100000749161 [0,1,0,1,0,0|2,0,0]=4 24207 B11R1.289 COCC(O)COC1CCC1 34a_100000748187_100011215053 [0,1,0,1,0,0|1,0,0]=3 24208 B11R1.289 COCC(O)COC1CSC1 7a_100000072292_100011215053 [0,1,0,1,0,0|2,0,0]=4 24209 B11R1.289 COCC(O)CSC1CCC1 62a_100011215053_100000749161 [0,1,0,1,0,0|1,1,0]=4 24210 B11R1.289 COC[C@@H](C)NCC1CCC1 2230a_100000764878_100000763275 [0,1,0,1,0,0|2,0,0]=4 24211 B11R1.289 COC[C@@H](C)NCC1CCC1 269862a_100000764878_100000753134 [0,1,0,1,0,0|2,0,0]=4 24212 B11R1.289 COC[C@@H](C)OCC1CCC1 34a_100011934205_100000763275 [0,1,0,1,0,0|1,0,0]=3 24213 B11R1.289 COC[C@@H](C)OCC1CCO1 34a_100011934205_100000103362 [0,1,0,1,0,0|2,0,0]=4 24214 B11R1.289 COC[C@@H](C)OCC1COC1 34a_100011934205_100010264016 [0,1,0,1,0,0|2,0,0]=4 24215 B11R1.289 CSCC(C)NCC1CCC1 270004a_100000738700_100011216314 [0,1,0,1,0,0|2,0,0]=4 24216 B11R1.289 C[C@H](CCO)NCC1CCC1 2230a_100000706166_100000763275 [0,1,0,1,0,0|2,0,0]=4 24217 B11R1.289 C[C@H](CCO)NCC1CCC1 269862a_100000706166_100000753134 [0,1,0,1,0,0|2,0,0]=4 24218 B11R1.289 C[C@H](CCO)NCC1CCC1 34a_100000706166_100000763275 [0,1,0,1,0,0|2,0,0]=4 24219 B11R1.290 C#CCC(C)OCCC1CC1 34a_100000685586_100000694398 [0,1,0,1,0,0|0,0,2]=4 24220 B11R1.290 C#CCC(C)OCCC1CC1 7a_100000685586_100000764125 [0,1,0,1,0,0|0,0,2]=4 24221 B11R1.290 C/C=C/C(C)OCCC1CC1 34a_200102604097_100000694398 [0,1,0,1,0,0|0,0,2]=4 24222 B11R1.290 C=CCC(C)COCC1CC1 34a_100009832082_100000742324 [0,1,0,1,0,0|0,0,2]=4 24223 B11R1.290 C=CCC(C)COCC1CC1 7a_100009832082_100000742324 [0,1,0,1,0,0|0,0,2]=4 24224 B11R1.290 C=CC[C@@H](C)OCCC1CC1 34a_100000731007_100000694398 [0,1,0,1,0,0|0,0,2]=4 24225 B11R1.290 C=CC[C@@H](C)OCCC1CC1 7a_100000731007_100000764125 [0,1,0,1,0,0|0,0,2]=4 24226 B11R1.290 C=CC[C@@H](N)COCC1CC1 34a_100020615467_100000742324 [0,1,0,1,0,0|0,0,2]=4 24227 B11R1.290 CC#CC(C)OCCC1CC1 34a_100011216543_100000694398 [0,1,0,1,0,0|0,0,2]=4 24228 B11R1.290 CC(CC#N)OCCC1CC1 7a_100000754188_100009813641 [0,1,0,1,0,0|1,0,1]=4 24229 B11R1.290 CC(CCBr)OCCC1CC1 34a_100012276601_100000694398 [0,1,0,1,0,0|1,0,0]=3 24230 B11R1.290 CC(CCBr)OCCC1CO1 34a_100012276601_100000732470 [0,1,0,1,0,0|2,0,0]=4 24231 B11R1.290 CC(CCN)COCC1CC1 34a_106354213184_100000742324 [0,1,0,1,0,0|1,0,0]=3 24232 B11R1.290 CC(CCN)COCC1CO1 34a_106354213184_102125554688 [0,1,0,1,0,0|2,0,0]=4 24233 B11R1.290 CC(CCO)NCCC1CC1 34a_100000764129_100009893172 [0,1,0,1,0,0|2,0,0]=4 24234 B11R1.290 CC(CCO)OCCC1CC1 34a_100000754188_100009893172 [0,1,0,1,0,0|1,0,0]=3 24235 B11R1.290 CC(CCO)OCCC1CC1 7a_100000754188_100009893172 [0,1,0,1,0,0|1,0,0]=3 24236 B11R1.290 CC(CCO)OCC[C@@H]1CO1 34a_100009820653_100009893172 [0,1,0,1,0,0|2,0,0]=4 24237 B11R1.290 CC(CCO)SCCC1CC1 62a_100000764125_100009893172 [0,1,0,1,0,0|1,1,0]=4 24238 B11R1.290 CC(CCO)SCCC1CC1 62a_100009893172_100000764125 [0,1,0,1,0,0|1,1,0]=4 24239 B11R1.290 CCCC(=O)CNCC1CC1 2230a_100000735609_100000747444 [0,1,0,1,0,0|1,0,1]=4 24240 B11R1.290 CCCC(=O)CSCC1CC1 1458a_200011316215_100000210303 [0,1,0,1,0,0|0,1,1]=4 24241 B11R1.290 CCCC(=O)CSCC1CC1 62a_100000747444_100000742324 [0,1,0,1,0,0|0,1,1]=4 24242 B11R1.290 CCCC(=O)CSCC1CC1 62a_100000756562_100000747444 [0,1,0,1,0,0|0,1,1]=4 24243 B11R1.290 CCCC(=O)NCCC1CC1 1626a_100000764129_100000211992 [0,1,0,1,0,0|1,0,1]=4 24244 B11R1.290 CCCC(=O)NCCC1CC1 240690a_100000764129_100000211992 [0,1,0,1,0,0|1,0,1]=4 24245 B11R1.290 CCCC(=O)NCCC1CC1 527a_100000764129_100000211992 [0,1,0,1,0,0|1,0,1]=4 24246 B11R1.290 CCCC(=O)OCNC1CC1 34a_100000212008_100000034017 [0,1,0,1,0,0|1,0,1]=4 24247 B11R1.290 CCCC(C)CCOC1CC1 34a_100011217855_100000211595 [0,1,0,1,0,0|2,0,0]=4 24248 B11R1.290 CCCC(C)CNCC1CC1 2230a_100000735609_100011216630 [0,1,0,1,0,0|1,0,0]=3 24249 B11R1.290 CCCC(C)CNCC1CC1 270004a_100000735609_100000243154 [0,1,0,1,0,0|1,0,0]=3 24250 B11R1.290 CCCC(C)CNCC1CC1 34a_100000735609_100011216630 [0,1,0,1,0,0|1,0,0]=3 24251 B11R1.290 CCCC(C)COCC1CC1 34a_100000211283_100011216630 [0,1,0,1,0,0|0,0,0]=2 24252 B11R1.290 CCCC(C)COCC1CC1 34a_100000688023_100000742324 [0,1,0,1,0,0|0,0,0]=2 24253 B11R1.290 CCCC(C)COCC1CC1 7a_100000688023_100000742324 [0,1,0,1,0,0|0,0,0]=2 24254 B11R1.290 CCCC(C)COCC1CO1 34a_100000688023_102125554688 [0,1,0,1,0,0|1,0,0]=3 24255 B11R1.290 CCCC(C)COCC1CO1 7a_100000688023_102125554688 [0,1,0,1,0,0|1,0,0]=3 24256 B11R1.290 CCCC(C)COCC1CS1 7a_100000688023_100000031435 [0,1,0,1,0,0|1,0,0]=3 24257 B11R1.290 CCCC(C)COC[C@@H]1CO1 34a_100000757423_100011216630 [0,1,0,1,0,0|1,0,0]=3 24258 B11R1.290 CCCC(C)COC[C@@H]1CO1 7a_100000688023_100000745022 [0,1,0,1,0,0|1,0,0]=3 24259 B11R1.290 CCCC(C)CSCC1CC1 62a_100000756562_100011216630 [0,1,0,1,0,0|0,1,0]=3 24260 B11R1.290 CCCC(C)CSCC1CC1 62a_100011216630_100000742324 [0,1,0,1,0,0|0,1,0]=3 24261 B11R1.290 CCCC(C)CSCC1CO1 62a_100011216630_102125554688 [0,1,0,1,0,0|1,1,0]=4 24262 B11R1.290 CCCC(C)CSCC1CO1 62a_102125554688_100011216630 [0,1,0,1,0,0|1,1,0]=4 24263 B11R1.290 CCCC(C)CSCC1CS1 62a_100000031435_100011216630 [0,1,0,1,0,0|1,1,0]=4 24264 B11R1.290 CCCC(C)CSCC1CS1 62a_100011216630_100000031435 [0,1,0,1,0,0|1,1,0]=4 24265 B11R1.290 CCCC(C)CSC[C@@H]1CO1 62a_100000745022_100011216630 [0,1,0,1,0,0|1,1,0]=4 24266 B11R1.290 CCCC(C)CSC[C@@H]1CO1 62a_100011216630_100000745022 [0,1,0,1,0,0|1,1,0]=4 24267 B11R1.290 CCCC(C)NCCC1CC1 2230a_100000741246_100000694398 [0,1,0,1,0,0|1,0,0]=3 24268 B11R1.290 CCCC(C)NCCC1CC1 270004a_100000764129_100000211909 [0,1,0,1,0,0|1,0,0]=3 24269 B11R1.290 CCCC(C)NCCC1CC1 34a_100000764129_100000766640 [0,1,0,1,0,0|1,0,0]=3 24270 B11R1.290 CCCC(C)NCCC1CO1 2230a_100000741246_100000732470 [0,1,0,1,0,0|2,0,0]=4 24271 B11R1.290 CCCC(C)OCCC1CC1 34a_100000754188_100000766640 [0,1,0,1,0,0|0,0,0]=2 24272 B11R1.290 CCCC(C)OCCC1CC1 34a_100000764384_100000694398 [0,1,0,1,0,0|0,0,0]=2 24273 B11R1.290 CCCC(C)OCCC1CC1 7a_100000754188_100000766640 [0,1,0,1,0,0|0,0,0]=2 24274 B11R1.290 CCCC(C)OCCC1CC1 7a_100000764384_100000764125 [0,1,0,1,0,0|0,0,0]=2 24275 B11R1.290 CCCC(C)OCCC1CO1 34a_100000764384_100000732470 [0,1,0,1,0,0|1,0,0]=3 24276 B11R1.290 CCCC(C)OCCC1CO1 7a_100000764384_100000732470 [0,1,0,1,0,0|1,0,0]=3 24277 B11R1.290 CCCC(C)OCC[C@@H]1CO1 34a_100009820653_100000766640 [0,1,0,1,0,0|1,0,0]=3 24278 B11R1.290 CCCC(C)SCCC1CC1 62a_100000764125_100000766640 [0,1,0,1,0,0|0,1,0]=3 24279 B11R1.290 CCCC(C)SCCC1CC1 62a_100000766640_100000764125 [0,1,0,1,0,0|0,1,0]=3 24280 B11R1.290 CCCC(C)SCCC1CO1 62a_100000732470_100000766640 [0,1,0,1,0,0|1,1,0]=4 24281 B11R1.290 CCCC(C)SCCC1CO1 62a_100000766640_100000732470 [0,1,0,1,0,0|1,1,0]=4 24282 B11R1.290 CCC[C@H](N)CCOC1CC1 34a_100015193777_100000211595 [0,1,0,1,0,0|2,0,0]=4 24283 B11R1.290 CCC[C@H](N)COCC1CC1 34a_100000732646_100000742324 [0,1,0,1,0,0|0,0,0]=2 24284 B11R1.290 CCC[C@H](N)COCC1CO1 34a_100000732646_102125554688 [0,1,0,1,0,0|1,0,0]=3 24285 B11R1.290 CCNC(=O)COCC1CC1 34a_100000211283_100000183381 [0,1,0,1,0,0|1,0,1]=4 24286 B11R1.290 CCOC(=O)COCC1CC1 34a_100000211283_100000188475 [0,1,0,1,0,0|1,0,1]=4 24287 B11R1.290 COCC(C)NCCC1CC1 270004a_100000764129_100000749346 [0,1,0,1,0,0|2,0,0]=4 24288 B11R1.290 COCC(C)NCCC1CC1 34a_100000764129_100000765312 [0,1,0,1,0,0|2,0,0]=4 24289 B11R1.290 COCC(C)OCCC1CC1 34a_100000754188_100000765312 [0,1,0,1,0,0|1,0,0]=3 24290 B11R1.290 COCC(C)OCCC1CC1 7a_100000754188_100000765312 [0,1,0,1,0,0|1,0,0]=3 24291 B11R1.290 COCC(C)OCC[C@@H]1CO1 34a_100009820653_100000765312 [0,1,0,1,0,0|2,0,0]=4 24292 B11R1.290 COCC(C)SCCC1CC1 62a_100000764125_100000765312 [0,1,0,1,0,0|1,1,0]=4 24293 B11R1.290 COCC(C)SCCC1CC1 62a_100000765312_100000764125 [0,1,0,1,0,0|1,1,0]=4 24294 B11R1.290 COCC(N)COCC1CC1 34a_100000724102_100000742324 [0,1,0,1,0,0|1,0,0]=3 24295 B11R1.290 COCC(N)COCC1CO1 34a_100000724102_102125554688 [0,1,0,1,0,0|2,0,0]=4 24296 B11R1.290 COCC(O)CNCC1CC1 2230a_100000756049_100000742324 [0,1,0,1,0,0|2,0,0]=4 24297 B11R1.290 COCC(O)CNCC1CC1 269862a_100000756049_100000741477 [0,1,0,1,0,0|2,0,0]=4 24298 B11R1.290 COCC(O)CNCC1CC1 34a_100000735609_100011215053 [0,1,0,1,0,0|2,0,0]=4 24299 B11R1.290 COCC(O)CNCC1CC1 34a_100000756049_100000742324 [0,1,0,1,0,0|2,0,0]=4 24300 B11R1.290 COCC(O)COCC1CC1 34a_100000211283_100011215053 [0,1,0,1,0,0|1,0,0]=3 24301 B11R1.290 COCC(O)COC[C@@H]1CO1 34a_100000757423_100011215053 [0,1,0,1,0,0|2,0,0]=4 24302 B11R1.290 COCC(O)CSCC1CC1 62a_100000756562_100011215053 [0,1,0,1,0,0|1,1,0]=4 24303 B11R1.290 COCC(O)CSCC1CC1 62a_100011215053_100000742324 [0,1,0,1,0,0|1,1,0]=4 24304 B11R1.290 COC[C@@H](C)NCCC1CC1 2230a_100000764878_100000694398 [0,1,0,1,0,0|2,0,0]=4 24305 B11R1.290 COC[C@@H](C)OCCC1CC1 34a_100011934205_100000694398 [0,1,0,1,0,0|1,0,0]=3 24306 B11R1.290 COC[C@@H](C)OCCC1CO1 34a_100011934205_100000732470 [0,1,0,1,0,0|2,0,0]=4 24307 B11R1.290 CSCC(C)NCCC1CC1 270004a_100000764129_100011216314 [0,1,0,1,0,0|2,0,0]=4 24308 B11R1.290 C[C@H](CCO)NCCC1CC1 2230a_100000706166_100000694398 [0,1,0,1,0,0|2,0,0]=4 24309 B11R1.290 C[C@H](CCO)NCCC1CC1 34a_100000706166_100000694398 [0,1,0,1,0,0|2,0,0]=4 24310 B11R1.291 CCCC(=O)CN1CCC1C 269982a_100000755817_100000747444 [0,1,0,1,0,0|1,0,1]=4 24311 B11R1.291 CCCC(C)CN1CCC1C 269982a_100000755817_100011216630 [0,1,0,1,0,0|1,0,0]=3 24312 B11R1.291 CCCC(C)CN1CCC1C 34a_100000755817_100011216630 [0,1,0,1,0,0|1,0,0]=3 24313 B11R1.291 CCCC(C)OC1CCC1=O 34a_100000764384_100009892977 [0,1,0,1,0,0|1,0,1]=4 24314 B11R1.291 CCCC(C)OC1CCC1=O 7a_100000764384_100009892977 [0,1,0,1,0,0|1,0,1]=4 24315 B11R1.291 COCC(O)CN1CCC1C 34a_100000755817_100011215053 [0,1,0,1,0,0|2,0,0]=4 24316 B11R1.356 C#CCCCOC(C)C1CC1 34a_100000744524_100000695029 [0,1,0,1,0,0|0,0,2]=4 24317 B11R1.356 C#CCCCOC(C)C1CC1 7a_100000744524_100011215417 [0,1,0,1,0,0|0,0,2]=4 24318 B11R1.356 C#CCCOC[C@H](N)C1CC1 34a_100020623730_100000688953 [0,1,0,1,0,0|0,0,2]=4 24319 B11R1.356 C/C=C/COC[C@H](N)C1CC1 34a_100020623730_100102629194 [0,1,0,1,0,0|0,0,2]=4 24320 B11R1.356 C=CCCCOC(C)C1CC1 34a_100000744524_100000757094 [0,1,0,1,0,0|0,0,2]=4 24321 B11R1.356 C=CCCCOC(C)C1CC1 7a_100000744524_100000757094 [0,1,0,1,0,0|0,0,2]=4 24322 B11R1.356 C=CCCOC[C@H](N)C1CC1 34a_100020623730_100000754431 [0,1,0,1,0,0|0,0,2]=4 24323 B11R1.356 CC#CCOC[C@H](N)C1CC1 34a_100020623730_100000748600 [0,1,0,1,0,0|0,0,2]=4 24324 B11R1.356 CC(NCCCCF)C1CC1 2230a_100000700016_100000729493 [0,1,0,1,0,0|2,0,0]=4 24325 B11R1.356 CC(NCCCCF)C1CC1 34a_100000700016_100000729493 [0,1,0,1,0,0|2,0,0]=4 24326 B11R1.356 CC(NCCCCO)C1CC1 2230a_100000700016_100000210776 [0,1,0,1,0,0|2,0,0]=4 24327 B11R1.356 CC(NCCCCO)C1CC1 269862a_100000750430_100000210639 [0,1,0,1,0,0|2,0,0]=4 24328 B11R1.356 CC(NCCCCO)C1CC1 34a_100000700016_100011216708 [0,1,0,1,0,0|2,0,0]=4 24329 B11R1.356 CC(OCCCC#N)C1CC1 7a_100000744524_100000687738 [0,1,0,1,0,0|1,0,1]=4 24330 B11R1.356 CC(OCCCC=O)C1CC1 7a_100000744524_200011292268 [0,1,0,1,0,0|1,0,1]=4 24331 B11R1.356 CC(OCCCCF)C1CC1 34a_100000744524_100000729493 [0,1,0,1,0,0|1,0,0]=3 24332 B11R1.356 CC(OCCCCF)C1CC1 7a_100000744524_100000729493 [0,1,0,1,0,0|1,0,0]=3 24333 B11R1.356 CC(OCCCCO)C1CC1 34a_100000744524_100011216708 [0,1,0,1,0,0|1,0,0]=3 24334 B11R1.356 CC(OCCCCO)C1CC1 7a_100000744524_100000210776 [0,1,0,1,0,0|1,0,0]=3 24335 B11R1.356 CC/C=C\COC(C)C1CC1 34a_100000744524_100103147603 [0,1,0,1,0,0|0,0,2]=4 24336 B11R1.356 CC/C=C\COC(C)C1CC1 7a_100000744524_100103147603 [0,1,0,1,0,0|0,0,2]=4 24337 B11R1.356 CC=CCOC[C@H](N)C1CC1 34a_100020623730_100000070051 [0,1,0,1,0,0|0,0,2]=4 24338 B11R1.356 CCC#CCOC(C)C1CC1 34a_100000744524_100009813939 [0,1,0,1,0,0|0,0,2]=4 24339 B11R1.356 CCC#CCOC(C)C1CC1 7a_100000744524_100009813939 [0,1,0,1,0,0|0,0,2]=4 24340 B11R1.356 CCCCCCC(=O)C1CC1 1458a_100000210395_100000210757 [0,1,0,1,0,0|1,0,1]=4 24341 B11R1.356 CCCCCCN(C)C1CC1 2230a_100000226674_100000210314 [0,1,0,1,0,0|2,0,0]=4 24342 B11R1.356 CCCCCCN(C)C1CC1 269982a_100000226674_100000210757 [0,1,0,1,0,0|2,0,0]=4 24343 B11R1.356 CCCCCCN(C)C1CC1 269982a_106256046315_100000211595 [0,1,0,1,0,0|2,0,0]=4 24344 B11R1.356 CCCCCNC(=O)C1CC1 11a_100000209983_100000210395 [0,1,0,1,0,0|1,0,1]=4 24345 B11R1.356 CCCCCNC(=O)C1CC1 1626a_100000209983_100000210395 [0,1,0,1,0,0|1,0,1]=4 24346 B11R1.356 CCCCCNC(=O)C1CC1 240690a_100000209983_100000210395 [0,1,0,1,0,0|1,0,1]=4 24347 B11R1.356 CCCCCNC(=O)C1CC1 527a_100000209983_100000210395 [0,1,0,1,0,0|1,0,1]=4 24348 B11R1.356 CCCCCNC(C)C1CC1 2230a_100000700016_100000210326 [0,1,0,1,0,0|1,0,0]=3 24349 B11R1.356 CCCCCNC(C)C1CC1 269862a_100000209983_100000210639 [0,1,0,1,0,0|1,0,0]=3 24350 B11R1.356 CCCCCNC(C)C1CC1 34a_100000700016_100000718602 [0,1,0,1,0,0|1,0,0]=3 24351 B11R1.356 CCCCCNC(C)C1CO1 270004a_100000209983_100000031964 [0,1,0,1,0,0|2,0,0]=4 24352 B11R1.356 CCCCCOC(C)C1CC1 34a_100000744524_100000718602 [0,1,0,1,0,0|0,0,0]=2 24353 B11R1.356 CCCCCOC(C)C1CC1 7a_100000744524_100000210326 [0,1,0,1,0,0|0,0,0]=2 24354 B11R1.356 CCCCNCC(=O)C1CC1 2230a_100000102301_100000746382 [0,1,0,1,0,0|1,0,1]=4 24355 B11R1.356 CCCCNCC(=O)C1CC1 7a_106832991798_100000746382 [0,1,0,1,0,0|1,0,1]=4 24356 B11R1.356 CCCCNCC(O)C1CC1 2230a_100000751198_100000210211 [0,1,0,1,0,0|1,0,0]=3 24357 B11R1.356 CCCCNCC(O)C1CC1 34a_100000751198_100000210210 [0,1,0,1,0,0|1,0,0]=3 24358 B11R1.356 CCCCOCC(=O)C1CC1 1458a_100000210395_100011995733 [0,1,0,1,0,0|0,0,1]=3 24359 B11R1.356 CCCCOCC(=O)C1CC1 34a_100000210227_100000746382 [0,1,0,1,0,0|0,0,1]=3 24360 B11R1.356 CCCCOCC(=O)C1CC1 34a_100000686663_100000210210 [0,1,0,1,0,0|0,0,1]=3 24361 B11R1.356 CCCCOCC(=O)C1CC1 7a_100000210227_100000746382 [0,1,0,1,0,0|0,0,1]=3 24362 B11R1.356 CCCCOCC(=O)C1CO1 1458a_100000701028_100011995733 [0,1,0,1,0,0|1,0,1]=4 24363 B11R1.356 CCCCOCN(C)C1CC1 2230a_100000226674_100011995733 [0,1,0,1,0,0|1,0,0]=3 24364 B11R1.356 CCCCOCN(C)C1CC1 269982a_100000226674_100011995733 [0,1,0,1,0,0|1,0,0]=3 24365 B11R1.356 CCCCOC[C@H](N)C1CC1 34a_100020623730_100000210210 [0,1,0,1,0,0|0,0,0]=2 24366 B11R1.356 CCCCSCC(=O)C1CC1 62a_100000210211_100000746382 [0,1,0,1,0,0|0,1,1]=4 24367 B11R1.356 CCCCSCC(=O)C1CC1 62a_100000746382_100000210210 [0,1,0,1,0,0|0,1,1]=4 24368 B11R1.356 CCCOCOC(=O)C1CC1 34a_100000210258_100000140896 [0,1,0,1,0,0|1,0,1]=4 24369 B11R1.356 CCCSCOC(=O)C1CC1 62a_100000140896_100000210303 [0,1,0,1,0,0|1,0,1]=4 24370 B11R1.356 CCCSCOC(=O)C1CC1 62a_100000210303_100000140896 [0,1,0,1,0,0|1,0,1]=4 24371 B11R1.356 CCOCCNC(C)C1CC1 2230a_100000700016_100011215890 [0,1,0,1,0,0|2,0,0]=4 24372 B11R1.356 CCOCCNC(C)C1CC1 269862a_100011200944_100000210639 [0,1,0,1,0,0|2,0,0]=4 24373 B11R1.356 CCOCCNC(C)C1CC1 34a_100000700016_100000210147 [0,1,0,1,0,0|2,0,0]=4 24374 B11R1.356 CCOCCOC(C)C1CC1 34a_100000744524_100000210147 [0,1,0,1,0,0|1,0,0]=3 24375 B11R1.356 CCOCCOC(C)C1CC1 7a_100000744524_100011215890 [0,1,0,1,0,0|1,0,0]=3 24376 B11R1.356 CCSCCNC(C)C1CC1 2230a_100000700016_100000757381 [0,1,0,1,0,0|2,0,0]=4 24377 B11R1.356 CCSCCNC(C)C1CC1 269862a_100000106463_100000210639 [0,1,0,1,0,0|2,0,0]=4 24378 B11R1.356 CCSCCNC(C)C1CC1 34a_100000700016_100000757381 [0,1,0,1,0,0|2,0,0]=4 24379 B11R1.356 CCSCCOC(C)C1CC1 34a_100000744524_100000757381 [0,1,0,1,0,0|1,0,0]=3 24380 B11R1.356 CCSCCOC(C)C1CC1 7a_100000744524_100000757381 [0,1,0,1,0,0|1,0,0]=3 24381 B11R1.356 COCCCNC(C)C1CC1 2230a_100000700016_100000740836 [0,1,0,1,0,0|2,0,0]=4 24382 B11R1.356 COCCCNC(C)C1CC1 269862a_100150723488_100000210639 [0,1,0,1,0,0|2,0,0]=4 24383 B11R1.356 COCCCNC(C)C1CC1 34a_100000700016_100000740836 [0,1,0,1,0,0|2,0,0]=4 24384 B11R1.356 COCCCOC(C)C1CC1 34a_100000744524_100000740836 [0,1,0,1,0,0|1,0,0]=3 24385 B11R1.356 COCCCOC(C)C1CC1 7a_100000744524_100000740836 [0,1,0,1,0,0|1,0,0]=3 24386 B11R1.356 COCCNCC(O)C1CC1 2230a_100000751198_100011201679 [0,1,0,1,0,0|2,0,0]=4 24387 B11R1.356 COCCNCC(O)C1CC1 34a_100000751198_100011201679 [0,1,0,1,0,0|2,0,0]=4 24388 B11R1.356 COCCOCC(=O)C1CC1 34a_100000210237_100000746382 [0,1,0,1,0,0|1,0,1]=4 24389 B11R1.356 COCCOCC(=O)C1CC1 34a_100000686663_100011201679 [0,1,0,1,0,0|1,0,1]=4 24390 B11R1.356 COCCOCN(C)C1CC1 2230a_100000226674_100000231047 [0,1,0,1,0,0|2,0,0]=4 24391 B11R1.356 COCCOCN(C)C1CC1 269982a_100000226674_100000231047 [0,1,0,1,0,0|2,0,0]=4 24392 B11R1.356 COCCOC[C@H](N)C1CC1 34a_100020623730_100011201679 [0,1,0,1,0,0|1,0,0]=3 24393 B11R1.356 CSCCCNC(C)C1CC1 269862a_100000749238_100000210639 [0,1,0,1,0,0|2,0,0]=4 24394 B11R1.356 CSCCNCC(O)C1CC1 2230a_100000751198_100000751147 [0,1,0,1,0,0|2,0,0]=4 24395 B11R1.356 CSCCNCC(O)C1CC1 34a_100000751198_100000212216 [0,1,0,1,0,0|2,0,0]=4 24396 B11R1.356 CSCCOCC(=O)C1CC1 34a_100000230434_100000746382 [0,1,0,1,0,0|1,0,1]=4 24397 B11R1.356 CSCCOCC(=O)C1CC1 34a_100000686663_100000212216 [0,1,0,1,0,0|1,0,1]=4 24398 B11R1.356 CSCCOCC(=O)C1CC1 7a_100000230434_100000746382 [0,1,0,1,0,0|1,0,1]=4 24399 B11R1.356 CSCCOC[C@H](N)C1CC1 34a_100020623730_100000212216 [0,1,0,1,0,0|1,0,0]=3 24400 B11R1.356 NCCCOCC(=O)C1CC1 34a_100000182051_100000746382 [0,1,0,1,0,0|1,0,1]=4 24401 B11R1.356 N[C@@H](COCCCF)C1CC1 34a_100020623730_100011934791 [0,1,0,1,0,0|1,0,0]=3 24402 B11R1.356 N[C@@H](COCCCO)C1CC1 34a_100020623730_100000230001 [0,1,0,1,0,0|1,0,0]=3 24403 B11R1.356 O=C(COCCCBr)C1CC1 34a_100011217188_100000746382 [0,1,0,1,0,0|1,0,1]=4 24404 B11R1.356 O=C(COCCCCl)C1CC1 34a_100000230001_100000746382 [0,1,0,1,0,0|1,0,1]=4 24405 B11R1.356 O=C(COCCCF)C1CC1 34a_100000686663_100011934791 [0,1,0,1,0,0|1,0,1]=4 24406 B11R1.356 O=C(COCCCF)C1CC1 34a_100000759539_100000746382 [0,1,0,1,0,0|1,0,1]=4 24407 B11R1.356 O=C(COCCCO)C1CC1 34a_100000686663_100000230001 [0,1,0,1,0,0|1,0,1]=4 24408 B11R1.356 OC(CNCCCF)C1CC1 2230a_100000751198_100011934791 [0,1,0,1,0,0|2,0,0]=4 24409 B11R1.356 OC(CNCCCF)C1CC1 34a_100000751198_100011934791 [0,1,0,1,0,0|2,0,0]=4 24410 B11R1.356 OCCCNCC(O)C1CC1 2230a_100000751198_100000230001 [0,1,0,1,0,0|2,0,0]=4 24411 B11R1.356 OCCCNCC(O)C1CC1 34a_100000751198_100000230001 [0,1,0,1,0,0|2,0,0]=4 24412 B11R1.779 CCNC1(CCCCCC1)C 2230a_100000704638_100000210202 [0,1,0,1,0,0|2,0,0]=4 24413 B11R1.779 CCNC1(CCCCCC1)C 34a_100000704638_100000210202 [0,1,0,1,0,0|2,0,0]=4 24414 B11R1.779 CCOC1(CCCCCC1)C 34a_100000708895_100000210202 [0,1,0,1,0,0|2,0,0]=4 24415 B11R1.779 CCOC1(CCCCCC1)C 7a_100000708895_100000210202 [0,1,0,1,0,0|2,0,0]=4 24416 B11R1.899 C#CCCCOC1(CCC1)C 34a_100000759064_100000695029 [0,1,0,1,0,0|0,0,2]=4 24417 B11R1.899 C#CCCCOC1(CCC1)C 7a_100000759064_100011215417 [0,1,0,1,0,0|0,0,2]=4 24418 B11R1.899 C#CCCOCC1(CCC1)C 34a_100011215631_100000726658 [0,1,0,1,0,0|0,0,2]=4 24419 B11R1.899 C/C=C/COCC1(CCC1)C 34a_100016270725_100000726658 [0,1,0,1,0,0|0,0,2]=4 24420 B11R1.899 C=CCCCOC1(CCC1)C 34a_100000759064_100000757094 [0,1,0,1,0,0|0,0,2]=4 24421 B11R1.899 C=CCCCOC1(CCC1)C 7a_100000759064_100000757094 [0,1,0,1,0,0|0,0,2]=4 24422 B11R1.899 C=CCCOCC1(CCC1)C 34a_100011205117_100000726658 [0,1,0,1,0,0|0,0,2]=4 24423 B11R1.899 CC#CCOCC1(CCC1)C 34a_100000761923_100000726658 [0,1,0,1,0,0|0,0,2]=4 24424 B11R1.899 CC/C=C\COC1(CCC1)C 34a_100000759064_100103147603 [0,1,0,1,0,0|0,0,2]=4 24425 B11R1.899 CC/C=C\COC1(CCC1)C 7a_100000759064_100103147603 [0,1,0,1,0,0|0,0,2]=4 24426 B11R1.899 CC1(CCC1)CNCCCF 2230a_100000706607_100011934791 [0,1,0,1,0,0|2,0,0]=4 24427 B11R1.899 CC1(CCC1)CNCCCF 2230a_100015189416_100000726658 [0,1,0,1,0,0|2,0,0]=4 24428 B11R1.899 CC1(CCC1)CNCCCF 34a_100015189416_100000726658 [0,1,0,1,0,0|2,0,0]=4 24429 B11R1.899 CC1(CCC1)CNCCCO 2230a_100000706607_100000230001 [0,1,0,1,0,0|2,0,0]=4 24430 B11R1.899 CC1(CCC1)COCCCBr 34a_100011217188_100000726658 [0,1,0,1,0,0|1,0,0]=3 24431 B11R1.899 CC1(CCC1)COCCCCl 34a_100000230001_100000726658 [0,1,0,1,0,0|1,0,0]=3 24432 B11R1.899 CC1(CCC1)COCCCF 34a_100000759539_100000726658 [0,1,0,1,0,0|1,0,0]=3 24433 B11R1.899 CC1(CCC1)COCCCN 34a_100000182051_100000726658 [0,1,0,1,0,0|1,0,0]=3 24434 B11R1.899 CC1(CCC1)COCCON 34a_100000700252_100000726658 [0,1,0,1,0,0|2,0,0]=4 24435 B11R1.899 CC1(CCC1)CSCCCF 62a_100000726658_100011934791 [0,1,0,1,0,0|1,1,0]=4 24436 B11R1.899 CC1(CCC1)CSCCCF 62a_100011934791_100000726658 [0,1,0,1,0,0|1,1,0]=4 24437 B11R1.899 CC1(CCC1)CSCCCO 62a_100000726658_100011215043 [0,1,0,1,0,0|1,1,0]=4 24438 B11R1.899 CC1(CCC1)CSCCCO 62a_100011215043_100000726658 [0,1,0,1,0,0|1,1,0]=4 24439 B11R1.899 CC1(CCC1)NCCCCF 2230a_100000692455_100000729493 [0,1,0,1,0,0|2,0,0]=4 24440 B11R1.899 CC1(CCC1)NCCCCF 34a_100000692455_100000729493 [0,1,0,1,0,0|2,0,0]=4 24441 B11R1.899 CC1(CCC1)NCCCCO 2230a_100000692455_100000210776 [0,1,0,1,0,0|2,0,0]=4 24442 B11R1.899 CC1(CCC1)NCCCCO 34a_100000692455_100011216708 [0,1,0,1,0,0|2,0,0]=4 24443 B11R1.899 CC1(CCC1)OCCCC#N 7a_100000759064_100000687738 [0,1,0,1,0,0|1,0,1]=4 24444 B11R1.899 CC1(CCC1)OCCCC=O 7a_100000759064_200011292268 [0,1,0,1,0,0|1,0,1]=4 24445 B11R1.899 CC1(CCC1)OCCCCF 34a_100000759064_100000729493 [0,1,0,1,0,0|1,0,0]=3 24446 B11R1.899 CC1(CCC1)OCCCCF 7a_100000759064_100000729493 [0,1,0,1,0,0|1,0,0]=3 24447 B11R1.899 CC1(CCC1)OCCCCO 34a_100000759064_100011216708 [0,1,0,1,0,0|1,0,0]=3 24448 B11R1.899 CC1(CCC1)OCCCCO 7a_100000759064_100000210776 [0,1,0,1,0,0|1,0,0]=3 24449 B11R1.899 CC1(COC1)COCCCBr 34a_100011217188_100009817586 [0,1,0,1,0,0|2,0,0]=4 24450 B11R1.899 CC1(COC1)COCCCCl 34a_100000230001_100009817586 [0,1,0,1,0,0|2,0,0]=4 24451 B11R1.899 CC1(COC1)COCCCF 34a_100000759539_100009817586 [0,1,0,1,0,0|2,0,0]=4 24452 B11R1.899 CC1(COC1)COCCCN 34a_100000182051_100009817586 [0,1,0,1,0,0|2,0,0]=4 24453 B11R1.899 CC1(CSC1)COCCCF 34a_100000732658_100011934791 [0,1,0,1,0,0|2,0,0]=4 24454 B11R1.899 CC1(CSC1)COCCCF 7a_100000732658_100011934791 [0,1,0,1,0,0|2,0,0]=4 24455 B11R1.899 CC1(CSC1)COCCCO 34a_100000732658_100000230001 [0,1,0,1,0,0|2,0,0]=4 24456 B11R1.899 CC1(CSC1)COCCCO 7a_100000732658_100011215043 [0,1,0,1,0,0|2,0,0]=4 24457 B11R1.899 CC1(CSC1)OCCCCF 7a_100016018533_100000729493 [0,1,0,1,0,0|2,0,0]=4 24458 B11R1.899 CC1(CSC1)OCCCCO 7a_100016018533_100000210776 [0,1,0,1,0,0|2,0,0]=4 24459 B11R1.899 CCC#CCOC1(CCC1)C 34a_100000759064_100009813939 [0,1,0,1,0,0|0,0,2]=4 24460 B11R1.899 CCC#CCOC1(CCC1)C 7a_100000759064_100009813939 [0,1,0,1,0,0|0,0,2]=4 24461 B11R1.899 CCCCCNC1(CCC1)C 2230a_100000692455_100000210326 [0,1,0,1,0,0|1,0,0]=3 24462 B11R1.899 CCCCCNC1(CCC1)C 34a_100000692455_100000718602 [0,1,0,1,0,0|1,0,0]=3 24463 B11R1.899 CCCCCNC1(COC1)C 2230a_100000732644_100000210326 [0,1,0,1,0,0|2,0,0]=4 24464 B11R1.899 CCCCCOC1(CCC1)C 34a_100000759064_100000718602 [0,1,0,1,0,0|0,0,0]=2 24465 B11R1.899 CCCCCOC1(CCC1)C 7a_100000759064_100000210326 [0,1,0,1,0,0|0,0,0]=2 24466 B11R1.899 CCCCCOC1(CSC1)C 7a_100016018533_100000210326 [0,1,0,1,0,0|1,0,0]=3 24467 B11R1.899 CCCCNCC1(CCC1)C 2230a_100000102301_100000726658 [0,1,0,1,0,0|1,0,0]=3 24468 B11R1.899 CCCCNCC1(CCC1)C 2230a_100000706607_100000210211 [0,1,0,1,0,0|1,0,0]=3 24469 B11R1.899 CCCCNCC1(CCC1)C 7a_106832991798_100000726658 [0,1,0,1,0,0|1,0,0]=3 24470 B11R1.899 CCCCNCC1(CCC1)O 2230a_100000752638_100000210211 [0,1,0,1,0,0|1,0,0]=3 24471 B11R1.899 CCCCNCC1(COC1)C 2230a_100000102301_100000066812 [0,1,0,1,0,0|2,0,0]=4 24472 B11R1.899 CCCCNCC1(COC1)C 2230a_100020631278_100000210211 [0,1,0,1,0,0|2,0,0]=4 24473 B11R1.899 CCCCNCC1(COC1)C 269862a_100000102301_100000050806 [0,1,0,1,0,0|2,0,0]=4 24474 B11R1.899 CCCCNCC1(COC1)C 7a_106832991798_100009817586 [0,1,0,1,0,0|2,0,0]=4 24475 B11R1.899 CCCCNCC1(COC1)O 2230a_100010264505_100000210211 [0,1,0,1,0,0|2,0,0]=4 24476 B11R1.899 CCCCOCC1(CCC1)C 34a_100000210227_100000726658 [0,1,0,1,0,0|0,0,0]=2 24477 B11R1.899 CCCCOCC1(CCC1)C 7a_100000210227_100000726658 [0,1,0,1,0,0|0,0,0]=2 24478 B11R1.899 CCCCOCC1(COC1)C 34a_100000210227_100009817586 [0,1,0,1,0,0|1,0,0]=3 24479 B11R1.899 CCCCOCC1(COC1)C 7a_100000210227_100009817586 [0,1,0,1,0,0|1,0,0]=3 24480 B11R1.899 CCCCOCC1(CSC1)C 34a_100000732658_100000210210 [0,1,0,1,0,0|1,0,0]=3 24481 B11R1.899 CCCCOCC1(CSC1)C 7a_100000732658_100000210211 [0,1,0,1,0,0|1,0,0]=3 24482 B11R1.899 CCCCSCC1(CCC1)C 62a_100000210211_100000726658 [0,1,0,1,0,0|0,1,0]=3 24483 B11R1.899 CCCCSCC1(CCC1)C 62a_100000726658_100000210210 [0,1,0,1,0,0|0,1,0]=3 24484 B11R1.899 CCCCSCC1(COC1)C 62a_100000210211_100009817586 [0,1,0,1,0,0|1,1,0]=4 24485 B11R1.899 CCCCSCC1(COC1)C 62a_100009817586_100000210210 [0,1,0,1,0,0|1,1,0]=4 24486 B11R1.899 CCOCCNC1(CCC1)C 2230a_100000692455_100011215890 [0,1,0,1,0,0|2,0,0]=4 24487 B11R1.899 CCOCCNC1(CCC1)C 34a_100000692455_100000210147 [0,1,0,1,0,0|2,0,0]=4 24488 B11R1.899 CCOCCOC1(CCC1)C 34a_100000759064_100000210147 [0,1,0,1,0,0|1,0,0]=3 24489 B11R1.899 CCOCCOC1(CCC1)C 7a_100000759064_100011215890 [0,1,0,1,0,0|1,0,0]=3 24490 B11R1.899 CCOCCOC1(CSC1)C 7a_100016018533_100011215890 [0,1,0,1,0,0|2,0,0]=4 24491 B11R1.899 CCOCSCC1(CCC1)C 62a_100000726658_100000739092 [0,1,0,1,0,0|1,1,0]=4 24492 B11R1.899 CCOCSCC1(CCC1)C 62a_100000739092_100000726658 [0,1,0,1,0,0|1,1,0]=4 24493 B11R1.899 CCSCCNC1(CCC1)C 2230a_100000692455_100000757381 [0,1,0,1,0,0|2,0,0]=4 24494 B11R1.899 CCSCCNC1(CCC1)C 34a_100000692455_100000757381 [0,1,0,1,0,0|2,0,0]=4 24495 B11R1.899 CCSCCOC1(CCC1)C 34a_100000759064_100000757381 [0,1,0,1,0,0|1,0,0]=3 24496 B11R1.899 CCSCCOC1(CCC1)C 7a_100000759064_100000757381 [0,1,0,1,0,0|1,0,0]=3 24497 B11R1.899 CCSCCOC1(CSC1)C 7a_100016018533_100000757381 [0,1,0,1,0,0|2,0,0]=4 24498 B11R1.899 COCCCNC1(CCC1)C 2230a_100000692455_100000740836 [0,1,0,1,0,0|2,0,0]=4 24499 B11R1.899 COCCCNC1(CCC1)C 34a_100000692455_100000740836 [0,1,0,1,0,0|2,0,0]=4 24500 B11R1.899 COCCCOC1(CCC1)C 34a_100000759064_100000740836 [0,1,0,1,0,0|1,0,0]=3 24501 B11R1.899 COCCCOC1(CCC1)C 7a_100000759064_100000740836 [0,1,0,1,0,0|1,0,0]=3 24502 B11R1.899 COCCCOC1(CSC1)C 7a_100016018533_100000740836 [0,1,0,1,0,0|2,0,0]=4 24503 B11R1.899 COCCNCC1(CCC1)C 2230a_100000209980_100000726658 [0,1,0,1,0,0|2,0,0]=4 24504 B11R1.899 COCCNCC1(CCC1)C 2230a_100000706607_100011201679 [0,1,0,1,0,0|2,0,0]=4 24505 B11R1.899 COCCNCC1(CCC1)O 2230a_100000752638_100011201679 [0,1,0,1,0,0|2,0,0]=4 24506 B11R1.899 COCCOCC1(CCC1)C 34a_100000210237_100000726658 [0,1,0,1,0,0|1,0,0]=3 24507 B11R1.899 COCCOCC1(COC1)C 34a_100000210237_100009817586 [0,1,0,1,0,0|2,0,0]=4 24508 B11R1.899 COCCOCC1(CSC1)C 34a_100000732658_100011201679 [0,1,0,1,0,0|2,0,0]=4 24509 B11R1.899 COCCOCC1(CSC1)C 7a_100000732658_100000233755 [0,1,0,1,0,0|2,0,0]=4 24510 B11R1.899 COCCSCC1(CCC1)C 62a_100000233755_100000726658 [0,1,0,1,0,0|1,1,0]=4 24511 B11R1.899 COCCSCC1(CCC1)C 62a_100000726658_100000233755 [0,1,0,1,0,0|1,1,0]=4 24512 B11R1.899 CSCCNCC1(CCC1)C 2230a_100000706607_100000751147 [0,1,0,1,0,0|2,0,0]=4 24513 B11R1.899 CSCCNCC1(CCC1)C 2230a_100020590264_100000726658 [0,1,0,1,0,0|2,0,0]=4 24514 B11R1.899 CSCCNCC1(CCC1)O 2230a_100000752638_100000751147 [0,1,0,1,0,0|2,0,0]=4 24515 B11R1.899 CSCCOCC1(CCC1)C 34a_100000230434_100000726658 [0,1,0,1,0,0|1,0,0]=3 24516 B11R1.899 CSCCOCC1(CCC1)C 7a_100000230434_100000726658 [0,1,0,1,0,0|1,0,0]=3 24517 B11R1.899 CSCCOCC1(COC1)C 34a_100000230434_100009817586 [0,1,0,1,0,0|2,0,0]=4 24518 B11R1.899 CSCCOCC1(COC1)C 7a_100000230434_100009817586 [0,1,0,1,0,0|2,0,0]=4 24519 B11R1.899 CSCCOCC1(CSC1)C 34a_100000732658_100000212216 [0,1,0,1,0,0|2,0,0]=4 24520 B11R1.899 CSCCOCC1(CSC1)C 7a_100000732658_100000212216 [0,1,0,1,0,0|2,0,0]=4 24521 B11R1.899 CSCCSCC1(CCC1)C 62a_100000212216_100000726658 [0,1,0,1,0,0|1,1,0]=4 24522 B11R1.899 CSCCSCC1(CCC1)C 62a_100000726658_100000751147 [0,1,0,1,0,0|1,1,0]=4 24523 B11R1.899 OC1(CCC1)CNCCCF 2230a_100000752638_100011934791 [0,1,0,1,0,0|2,0,0]=4 24524 B11R1.899 OCCCNCC1(CCC1)O 2230a_100000752638_100000230001 [0,1,0,1,0,0|2,0,0]=4 24525 B11R1.27 C#CCCOC1CCC(C1)C 34a_100000698185_100000688953 [0,1,0,1,0,0|0,0,2]=4 24526 B11R1.27 C/C=C/COC1CCC(C1)C 34a_100000698185_100102629194 [0,1,0,1,0,0|0,0,2]=4 24527 B11R1.27 C=CCCOC1CCC(C1)C 34a_100000698185_100000754431 [0,1,0,1,0,0|0,0,2]=4 24528 B11R1.27 CC#CCOC1CCC(C1)C 34a_100000698185_100000748600 [0,1,0,1,0,0|0,0,2]=4 24529 B11R1.27 CC1CCC(C1)NCCCF 270004a_100015189416_100011215218 [0,1,0,1,0,0|2,0,0]=4 24530 B11R1.27 CC1CCC(C1)NCCCO 270004a_100000182051_100011215218 [0,1,0,1,0,0|2,0,0]=4 24531 B11R1.27 CC1CCC(C1)OCCCF 34a_100000698185_100011934791 [0,1,0,1,0,0|1,0,0]=3 24532 B11R1.27 CC1CCC(C1)OCCCO 34a_100000698185_100000230001 [0,1,0,1,0,0|1,0,0]=3 24533 B11R1.27 CC=CCOC1CCC(C1)C 34a_100000698185_100000070051 [0,1,0,1,0,0|0,0,2]=4 24534 B11R1.27 CCCCCN1CCC(C1)O 2230a_100011215560_100000210326 [0,1,0,1,0,0|1,0,0]=3 24535 B11R1.27 CCCCCN1CCC(C1)O 269982a_100011215560_100000210215 [0,1,0,1,0,0|1,0,0]=3 24536 B11R1.27 CCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210326 [0,1,0,1,0,0|1,0,0]=3 24537 B11R1.27 CCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210215 [0,1,0,1,0,0|1,0,0]=3 24538 B11R1.27 CCCCCN1CC[C@@H](C1)F 34a_100015203821_100000718602 [0,1,0,1,0,0|1,0,0]=3 24539 B11R1.27 CCCCCN1CC[C@H](C1)C 2230a_100016987628_100000210326 [0,1,0,1,0,0|1,0,0]=3 24540 B11R1.27 CCCCCN1CC[C@H](C1)C 269982a_100016987628_100000210215 [0,1,0,1,0,0|1,0,0]=3 24541 B11R1.27 CCCCCN1CC[C@H](C1)C 34a_100016987628_100000718602 [0,1,0,1,0,0|1,0,0]=3 24542 B11R1.27 CCCCNC1CCC(C1)C 270004a_100000102301_100011215218 [0,1,0,1,0,0|1,0,0]=3 24543 B11R1.27 CCCCNC1CCC(C1)O 270004a_100000102301_100012614533 [0,1,0,1,0,0|1,0,0]=3 24544 B11R1.27 CCCCNC1CCN(C1)C 7a_106832991798_200012183744 [0,1,0,1,0,0|2,0,0]=4 24545 B11R1.27 CCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210211 [0,1,0,1,0,0|1,0,0]=3 24546 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [0,1,0,1,0,0|0,0,1]=3 24547 B11R1.27 CCCCOC1CCC(C1)C 34a_100000698185_100000210210 [0,1,0,1,0,0|0,0,0]=2 24548 B11R1.27 CCCCOC1CCN(C1)C 7a_100000210227_200012183744 [0,1,0,1,0,0|1,0,0]=3 24549 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [0,1,0,1,0,0|1,0,1]=4 24550 B11R1.27 CCCCSC1CCN(C1)C 62a_100000210211_200012183744 [0,1,0,1,0,0|1,1,0]=4 24551 B11R1.27 CCOCCN1CCC(C1)O 2230a_100011215560_100011215890 [0,1,0,1,0,0|2,0,0]=4 24552 B11R1.27 CCOCCN1CCC(C1)O 269982a_100011215560_100011215890 [0,1,0,1,0,0|2,0,0]=4 24553 B11R1.27 CCOCCN1CC[C@@H](C1)F 2230a_100015203821_100011215890 [0,1,0,1,0,0|2,0,0]=4 24554 B11R1.27 CCOCCN1CC[C@@H](C1)F 269982a_100015203821_100011215890 [0,1,0,1,0,0|2,0,0]=4 24555 B11R1.27 CCOCCN1CC[C@@H](C1)F 34a_100015203821_100000210147 [0,1,0,1,0,0|2,0,0]=4 24556 B11R1.27 CCOCCN1CC[C@H](C1)C 2230a_100016987628_100011215890 [0,1,0,1,0,0|2,0,0]=4 24557 B11R1.27 CCOCCN1CC[C@H](C1)C 269982a_100016987628_100011215890 [0,1,0,1,0,0|2,0,0]=4 24558 B11R1.27 CCOCCN1CC[C@H](C1)C 34a_100016987628_100000210147 [0,1,0,1,0,0|2,0,0]=4 24559 B11R1.27 CCSCCN1CCC(C1)O 2230a_100011215560_100000757381 [0,1,0,1,0,0|2,0,0]=4 24560 B11R1.27 CCSCCN1CCC(C1)O 269982a_100011215560_100000757381 [0,1,0,1,0,0|2,0,0]=4 24561 B11R1.27 CCSCCN1CC[C@@H](C1)F 2230a_100015203821_100000757381 [0,1,0,1,0,0|2,0,0]=4 24562 B11R1.27 CCSCCN1CC[C@@H](C1)F 269982a_100015203821_100000757381 [0,1,0,1,0,0|2,0,0]=4 24563 B11R1.27 CCSCCN1CC[C@@H](C1)F 34a_100015203821_100000757381 [0,1,0,1,0,0|2,0,0]=4 24564 B11R1.27 CCSCCN1CC[C@H](C1)C 2230a_100016987628_100000757381 [0,1,0,1,0,0|2,0,0]=4 24565 B11R1.27 CCSCCN1CC[C@H](C1)C 269982a_100016987628_100000757381 [0,1,0,1,0,0|2,0,0]=4 24566 B11R1.27 CCSCCN1CC[C@H](C1)C 34a_100016987628_100000757381 [0,1,0,1,0,0|2,0,0]=4 24567 B11R1.27 COCCCN1CCC(C1)O 2230a_100011215560_100000740836 [0,1,0,1,0,0|2,0,0]=4 24568 B11R1.27 COCCCN1CCC(C1)O 269982a_100011215560_100000740836 [0,1,0,1,0,0|2,0,0]=4 24569 B11R1.27 COCCCN1CC[C@@H](C1)F 2230a_100015203821_100000740836 [0,1,0,1,0,0|2,0,0]=4 24570 B11R1.27 COCCCN1CC[C@@H](C1)F 269982a_100015203821_100000740836 [0,1,0,1,0,0|2,0,0]=4 24571 B11R1.27 COCCCN1CC[C@@H](C1)F 34a_100015203821_100000740836 [0,1,0,1,0,0|2,0,0]=4 24572 B11R1.27 COCCCN1CC[C@H](C1)C 2230a_100016987628_100000740836 [0,1,0,1,0,0|2,0,0]=4 24573 B11R1.27 COCCCN1CC[C@H](C1)C 269982a_100016987628_100000740836 [0,1,0,1,0,0|2,0,0]=4 24574 B11R1.27 COCCCN1CC[C@H](C1)C 34a_100016987628_100000740836 [0,1,0,1,0,0|2,0,0]=4 24575 B11R1.27 COCCNC1CCC(C1)C 270004a_100000209980_100011215218 [0,1,0,1,0,0|2,0,0]=4 24576 B11R1.27 COCCNC1CCC(C1)O 270004a_100000209980_100012614533 [0,1,0,1,0,0|2,0,0]=4 24577 B11R1.27 COCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011201679 [0,1,0,1,0,0|2,0,0]=4 24578 B11R1.27 COCCOC1CCC(=O)C1 34a_100012614533_100011201679 [0,1,0,1,0,0|1,0,1]=4 24579 B11R1.27 COCCOC1CCC(C1)C 34a_100000698185_100011201679 [0,1,0,1,0,0|1,0,0]=3 24580 B11R1.27 CSCCNC1CCC(C1)C 270004a_100020590264_100011215218 [0,1,0,1,0,0|2,0,0]=4 24581 B11R1.27 CSCCNC1CCC(C1)O 270004a_100020590264_100012614533 [0,1,0,1,0,0|2,0,0]=4 24582 B11R1.27 CSCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000751147 [0,1,0,1,0,0|2,0,0]=4 24583 B11R1.27 CSCCOC1CCC(=O)C1 34a_100012614533_100000212216 [0,1,0,1,0,0|1,0,1]=4 24584 B11R1.27 CSCCOC1CCC(C1)C 34a_100000698185_100000212216 [0,1,0,1,0,0|1,0,0]=3 24585 B11R1.27 CSCCOC1CCN(C1)C 7a_100000230434_200012183744 [0,1,0,1,0,0|2,0,0]=4 24586 B11R1.27 C[C@@H]1CCN(C1)CCCCF 2230a_100016987628_100000729493 [0,1,0,1,0,0|2,0,0]=4 24587 B11R1.27 C[C@@H]1CCN(C1)CCCCF 269982a_100016987628_100000729493 [0,1,0,1,0,0|2,0,0]=4 24588 B11R1.27 C[C@@H]1CCN(C1)CCCCF 34a_100016987628_100000729493 [0,1,0,1,0,0|2,0,0]=4 24589 B11R1.27 C[C@@H]1CCN(C1)CCCCO 2230a_100016987628_100000210776 [0,1,0,1,0,0|2,0,0]=4 24590 B11R1.27 C[C@@H]1CCN(C1)CCCCO 269982a_100016987628_100000210776 [0,1,0,1,0,0|2,0,0]=4 24591 B11R1.27 C[C@@H]1CCN(C1)CCCCO 34a_100016987628_100011216708 [0,1,0,1,0,0|2,0,0]=4 24592 B11R1.27 FCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000729493 [0,1,0,1,0,0|2,0,0]=4 24593 B11R1.27 FCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000729493 [0,1,0,1,0,0|2,0,0]=4 24594 B11R1.27 FCCCCN1CC[C@@H](C1)F 34a_100015203821_100000729493 [0,1,0,1,0,0|2,0,0]=4 24595 B11R1.27 O=C1CCC(C1)OCCCF 34a_100012614533_100011934791 [0,1,0,1,0,0|1,0,1]=4 24596 B11R1.27 O=C1CCC(C1)OCCCO 34a_100012614533_100000230001 [0,1,0,1,0,0|1,0,1]=4 24597 B11R1.27 OC1CCC(C1)NCCCF 270004a_100015189416_100012614533 [0,1,0,1,0,0|2,0,0]=4 24598 B11R1.27 OC1CCN(C1)CCCCF 2230a_100011215560_100000729493 [0,1,0,1,0,0|2,0,0]=4 24599 B11R1.27 OC1CCN(C1)CCCCF 269982a_100011215560_100000729493 [0,1,0,1,0,0|2,0,0]=4 24600 B11R1.27 OCCCCN1CCC(C1)O 2230a_100011215560_100000210776 [0,1,0,1,0,0|2,0,0]=4 24601 B11R1.27 OCCCCN1CCC(C1)O 269982a_100011215560_100000210776 [0,1,0,1,0,0|2,0,0]=4 24602 B11R1.27 OCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210776 [0,1,0,1,0,0|2,0,0]=4 24603 B11R1.27 OCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210776 [0,1,0,1,0,0|2,0,0]=4 24604 B11R1.27 OCCCCN1CC[C@@H](C1)F 34a_100015203821_100011216708 [0,1,0,1,0,0|2,0,0]=4 24605 B11R1.27 OCCCNC1CCC(C1)O 270004a_100000182051_100012614533 [0,1,0,1,0,0|2,0,0]=4 24606 B11R1.27 OCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000230001 [0,1,0,1,0,0|2,0,0]=4 24607 B11R1.27 O[C@@H]1CC[C@@H](C1)NCCCF 2230a_100015195300_100011934791 [0,1,0,1,0,0|2,0,0]=4 24608 B11R1.46 C#CCCCOCC1CC1C 34a_100000744939_100000695029 [0,1,0,1,0,0|0,0,1]=3 24609 B11R1.46 C#CCCCOCC1CC1C 7a_100000744939_100011215417 [0,1,0,1,0,0|0,0,1]=3 24610 B11R1.46 C=CCCCOCC1CC1C 34a_100000744939_100000757094 [0,1,0,1,0,0|0,0,1]=3 24611 B11R1.46 C=CCCCOCC1CC1C 7a_100000744939_100000757094 [0,1,0,1,0,0|0,0,1]=3 24612 B11R1.46 C=COCCOCC1CC1C 34a_100000744939_100000039644 [0,1,0,1,0,0|0,0,2]=4 24613 B11R1.46 C=COCCOCC1CC1C 7a_100000744939_100000039644 [0,1,0,1,0,0|0,0,2]=4 24614 B11R1.46 CC/C=C\COCC1CC1C 34a_100000744939_100103147603 [0,1,0,1,0,0|0,0,1]=3 24615 B11R1.46 CC/C=C\COCC1CC1C 7a_100000744939_100103147603 [0,1,0,1,0,0|0,0,1]=3 24616 B11R1.46 CC1CC1COCC#CCO 34a_100000744939_200000047223 [0,1,0,1,0,0|0,0,2]=4 24617 B11R1.46 CC1CC1COCC#CCO 7a_100000744939_200000047223 [0,1,0,1,0,0|0,0,2]=4 24618 B11R1.46 CC1CC1COCCCC#N 7a_100000744939_100000687738 [0,1,0,1,0,0|0,0,1]=3 24619 B11R1.46 CC1CC1COCCCC=O 7a_100000744939_200011292268 [0,1,0,1,0,0|0,0,1]=3 24620 B11R1.46 CC1CC1COCCCCF 34a_100000744939_100000729493 [0,1,0,1,0,0|0,0,0]=2 24621 B11R1.46 CC1CC1COCCCCF 7a_100000744939_100000729493 [0,1,0,1,0,0|0,0,0]=2 24622 B11R1.46 CC1CC1COCCCCO 34a_100000744939_100011216708 [0,1,0,1,0,0|0,0,0]=2 24623 B11R1.46 CC1CC1COCCCCO 7a_100000744939_100000210776 [0,1,0,1,0,0|0,0,0]=2 24624 B11R1.46 CCC#CCOCC1CC1C 34a_100000744939_100009813939 [0,1,0,1,0,0|0,0,1]=3 24625 B11R1.46 CCC#CCOCC1CC1C 7a_100000744939_100009813939 [0,1,0,1,0,0|0,0,1]=3 24626 B11R1.46 CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210314 [0,1,0,1,0,0|2,0,0]=4 24627 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210314 [0,1,0,1,0,0|2,0,0]=4 24628 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210314 [0,1,0,1,0,0|2,0,0]=4 24629 B11R1.46 CCCCCOCC1CC1C 34a_100000744939_100000718602 [0,1,0,1,0,0|0,0,0]=2 24630 B11R1.46 CCCCCOCC1CC1C 7a_100000744939_100000210326 [0,1,0,1,0,0|0,0,0]=2 24631 B11R1.46 CCCCOCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011995733 [0,1,0,1,0,0|1,0,0]=3 24632 B11R1.46 CCCCOCN[C@@H]1C[C@H]1F 2230a_100025746932_100011995733 [0,1,0,1,0,0|1,0,0]=3 24633 B11R1.46 CCCCOCN[C@@H]1C[C@H]1F 34a_100025746932_100011995733 [0,1,0,1,0,0|1,0,0]=3 24634 B11R1.46 CCCOCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215938 [0,1,0,1,0,0|2,0,0]=4 24635 B11R1.46 CCCOCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215938 [0,1,0,1,0,0|2,0,0]=4 24636 B11R1.46 CCCOCCN[C@@H]1C[C@H]1F 34a_100025746932_100011215938 [0,1,0,1,0,0|2,0,0]=4 24637 B11R1.46 CCOCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100012232248 [0,1,0,1,0,0|2,0,0]=4 24638 B11R1.46 CCOCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100012232248 [0,1,0,1,0,0|2,0,0]=4 24639 B11R1.46 CCOCCCN[C@@H]1C[C@H]1F 34a_100025746932_100012232248 [0,1,0,1,0,0|2,0,0]=4 24640 B11R1.46 CCOCCOCC1CC1C 34a_100000744939_100000210147 [0,1,0,1,0,0|0,0,0]=2 24641 B11R1.46 CCOCCOCC1CC1C 7a_100000744939_100011215890 [0,1,0,1,0,0|0,0,0]=2 24642 B11R1.46 CCSCCOCC1CC1C 34a_100000744939_100000757381 [0,1,0,1,0,0|0,0,0]=2 24643 B11R1.46 CCSCCOCC1CC1C 7a_100000744939_100000757381 [0,1,0,1,0,0|0,0,0]=2 24644 B11R1.46 COCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000730899 [0,1,0,1,0,0|2,0,0]=4 24645 B11R1.46 COCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000730899 [0,1,0,1,0,0|2,0,0]=4 24646 B11R1.46 COCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000755781 [0,1,0,1,0,0|2,0,0]=4 24647 B11R1.46 COCCCOCC1CC1C 34a_100000744939_100000740836 [0,1,0,1,0,0|0,0,0]=2 24648 B11R1.46 COCCCOCC1CC1C 7a_100000744939_100000740836 [0,1,0,1,0,0|0,0,0]=2 24649 B11R1.46 COCCOCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000231047 [0,1,0,1,0,0|2,0,0]=4 24650 B11R1.46 COCCOCN[C@@H]1C[C@H]1F 2230a_100025746932_100000231047 [0,1,0,1,0,0|2,0,0]=4 24651 B11R1.46 FCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000729378 [0,1,0,1,0,0|2,0,0]=4 24652 B11R1.46 FCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000729378 [0,1,0,1,0,0|2,0,0]=4 24653 B11R1.46 FCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000729378 [0,1,0,1,0,0|2,0,0]=4 24654 B11R1.46 OCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000746330 [0,1,0,1,0,0|2,0,0]=4 24655 B11R1.46 OCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000746330 [0,1,0,1,0,0|2,0,0]=4 24656 B11R1.46 OCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000746330 [0,1,0,1,0,0|2,0,0]=4 24657 B11R1.53 CC(C)C1CCCCC1O[13CH3] 34a_100011709184_200025704644 [0,1,0,1,0,0|2,0,0]=4 24658 B11R1.53 CC(C)C1CCCCC1O[13CH3] 7a_100011709184_200025704644 [0,1,0,1,0,0|2,0,0]=4 24659 B11R1.53 CC(C)N1CCOC[C@H]1CO 2230a_100000717676_100000210206 [0,1,0,1,0,0|2,0,0]=4 24660 B11R1.53 CC(C)N1CCOC[C@H]1CO 269982a_100000717676_100000210206 [0,1,0,1,0,0|2,0,0]=4 24661 B11R1.53 CC(C)N1CCOC[C@H]1CO 34a_100000717676_100000210206 [0,1,0,1,0,0|2,0,0]=4 24662 B11R1.53 CC(C)[C@H]1COCCN1CF 269982a_100025712635_100015361967 [0,1,0,1,0,0|2,0,0]=4 24663 B11R1.53 CC(C)[C@H]1COCCN1CF 34a_100025712635_100015361967 [0,1,0,1,0,0|2,0,0]=4 24664 B11R1.53 CCC1CCCCC1N(C)C 270004a_100102631434_100000757040 [0,1,0,1,0,0|2,0,0]=4 24665 B11R1.53 CCC1CCCCN1C(C)C 2230a_100000210034_100000210206 [0,1,0,1,0,0|2,0,0]=4 24666 B11R1.53 CCC1CCCCN1C(C)C 269982a_100000210034_100000210206 [0,1,0,1,0,0|2,0,0]=4 24667 B11R1.53 CCC1CCCCN1C(C)C 34a_100000210034_100000210206 [0,1,0,1,0,0|2,0,0]=4 24668 B11R1.53 CCN1CCCCC1C(C)C 2230a_100000757267_100000210202 [0,1,0,1,0,0|2,0,0]=4 24669 B11R1.53 CCN1CCCCC1C(C)C 269982a_100000757267_100000204670 [0,1,0,1,0,0|2,0,0]=4 24670 B11R1.53 CCN1CCCCC1C(C)C 34a_100000757267_100000210202 [0,1,0,1,0,0|2,0,0]=4 24671 B11R1.53 CCN1CCOC[C@@H]1C(C)C 2230a_100025712635_100000210202 [0,1,0,1,0,0|1,0,0]=3 24672 B11R1.53 CCN1CCOC[C@@H]1C(C)C 269982a_100025712635_100000204670 [0,1,0,1,0,0|1,0,0]=3 24673 B11R1.53 CCN1CCOC[C@@H]1C(C)C 34a_100025712635_100000210202 [0,1,0,1,0,0|1,0,0]=3 24674 B11R1.53 CC[C@H]1COCCN1C(=O)C 11a_100016988097_100015343762 [0,1,0,1,0,0|1,0,1]=4 24675 B11R1.53 CC[C@H]1COCCN1C(=O)C 1626a_100016988097_100015343762 [0,1,0,1,0,0|1,0,1]=4 24676 B11R1.53 CC[C@H]1COCCN1C(=O)C 240690a_100016988097_100015343762 [0,1,0,1,0,0|1,0,1]=4 24677 B11R1.53 CC[C@H]1COCCN1C(=O)C 527a_100016988097_100103153847 [0,1,0,1,0,0|1,0,1]=4 24678 B11R1.53 CC[C@H]1COCCN1C(C)C 2230a_100016988097_100000210206 [0,1,0,1,0,0|1,0,0]=3 24679 B11R1.53 CC[C@H]1COCCN1C(C)C 269982a_100016988097_100000210206 [0,1,0,1,0,0|1,0,0]=3 24680 B11R1.53 CC[C@H]1COCCN1C(C)C 34a_100016988097_100000210206 [0,1,0,1,0,0|1,0,0]=3 24681 B11R1.53 COC1CCCCC1C(C)C 34a_100011709184_200000210301 [0,1,0,1,0,0|2,0,0]=4 24682 B11R1.53 COC1CCCCC1C(C)C 7a_100011709184_200000210301 [0,1,0,1,0,0|2,0,0]=4 24683 B11R1.53 COC1COCCC1N(C)C 270004a_100102631434_100000095984 [0,1,0,1,0,0|2,0,0]=4 24684 B11R1.57 CCC1CCCN1CC(C)C 2230a_100000754278_100000210760 [0,1,0,1,0,0|2,0,0]=4 24685 B11R1.57 CCC1CCCN1CC(C)C 269982a_100000754278_100000210624 [0,1,0,1,0,0|2,0,0]=4 24686 B11R1.57 CCC1CCCN1CC(C)C 270004a_100000754278_100000210432 [0,1,0,1,0,0|2,0,0]=4 24687 B11R1.57 CCC1CCCN1CC(C)C 34a_100000754278_100000210624 [0,1,0,1,0,0|2,0,0]=4 24688 B11R1.57 CCC1CCCN1CC(C)O 2230a_100000754278_100011218427 [0,1,0,1,0,0|2,0,0]=4 24689 B11R1.57 CCC1CCCN1CC(C)O 269982a_100000754278_100011218427 [0,1,0,1,0,0|2,0,0]=4 24690 B11R1.57 CCC1CCCN1CC(C)O 34a_100000754278_100011218427 [0,1,0,1,0,0|2,0,0]=4 24691 B11R1.57 CCC1CCCN1C[C@@H](C)O 2230a_100000754278_100009817552 [0,1,0,1,0,0|2,0,0]=4 24692 B11R1.57 CCC1CCCN1C[C@@H](C)O 269982a_100000754278_100009817552 [0,1,0,1,0,0|2,0,0]=4 24693 B11R1.57 CCC1CCCN1C[C@@H](C)O 34a_100000754278_100009817552 [0,1,0,1,0,0|2,0,0]=4 24694 B11R1.57 CCN1CCCC1CC(C)C 2230a_100000748429_100000210202 [0,1,0,1,0,0|2,0,0]=4 24695 B11R1.57 CCN1CCCC1CC(C)C 269982a_100000748429_100000204670 [0,1,0,1,0,0|2,0,0]=4 24696 B11R1.57 CCN1CCCC1CC(C)C 34a_100000748429_100000210202 [0,1,0,1,0,0|2,0,0]=4 24697 B11R1.86 CC(C)CC1COCCN1C 2230a_100000755734_200000210301 [0,1,0,1,0,0|1,0,0]=3 24698 B11R1.86 CC(C)CC1COCCN1C 269982a_100000755734_200000210301 [0,1,0,1,0,0|1,0,0]=3 24699 B11R1.86 CC(C)CC1COCCN1C 34a_100000755734_200000210301 [0,1,0,1,0,0|1,0,0]=3 24700 B11R1.86 CC(C)CC1COCCN1[13CH3] 2230a_100000755734_200025704644 [0,1,0,1,0,0|1,0,0]=3 24701 B11R1.86 CC(C)CC1COCCN1[13CH3] 269982a_100000755734_200025704644 [0,1,0,1,0,0|1,0,0]=3 24702 B11R1.86 CC(C)CC1COCCN1[13CH3] 34a_100000755734_200025704644 [0,1,0,1,0,0|1,0,0]=3 24703 B11R1.86 CC(C)CN1CCCCC1C 2230a_100000211376_100000210760 [0,1,0,1,0,0|2,0,0]=4 24704 B11R1.86 CC(C)CN1CCCCC1C 269982a_100000211376_100000210624 [0,1,0,1,0,0|2,0,0]=4 24705 B11R1.86 CC(C)CN1CCCCC1C 270004a_100000211376_100000210432 [0,1,0,1,0,0|2,0,0]=4 24706 B11R1.86 CC(C)CN1CCCCC1C 34a_100000211376_100000210624 [0,1,0,1,0,0|2,0,0]=4 24707 B11R1.86 CC(C)NC1CCCCC1C 2230a_100000211402_100000210206 [0,1,0,1,0,0|2,0,0]=4 24708 B11R1.86 CC(C)NC1CCCCC1C 34a_100000211402_100000210206 [0,1,0,1,0,0|2,0,0]=4 24709 B11R1.86 CC(C)N[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210206 [0,1,0,1,0,0|2,0,0]=4 24710 B11R1.86 CC(C)OC1CCCCC1C 34a_100000211207_100000210206 [0,1,0,1,0,0|2,0,0]=4 24711 B11R1.86 CC(C)OC1CCCCC1C 7a_100000211207_100000210206 [0,1,0,1,0,0|2,0,0]=4 24712 B11R1.86 CC(C)OC1CNCCC1C 34a_100000696640_100000210206 [0,1,0,1,0,0|2,0,0]=4 24713 B11R1.86 CC(C)O[C@H]1COCC[C@H]1N 34a_100016994285_100000210206 [0,1,0,1,0,0|2,0,0]=4 24714 B11R1.86 CC(O)CN1CCCCC1C 2230a_100000211376_100011218427 [0,1,0,1,0,0|2,0,0]=4 24715 B11R1.86 CC(O)CN1CCCCC1C 269982a_100000211376_100011218427 [0,1,0,1,0,0|2,0,0]=4 24716 B11R1.86 CC(O)CN1CCCCC1C 34a_100000211376_100011218427 [0,1,0,1,0,0|2,0,0]=4 24717 B11R1.86 CC1CCCCN1C[C@@H](C)O 2230a_100000211376_100009817552 [0,1,0,1,0,0|2,0,0]=4 24718 B11R1.86 CC1CCCCN1C[C@@H](C)O 269982a_100000211376_100009817552 [0,1,0,1,0,0|2,0,0]=4 24719 B11R1.86 CC1CCCCN1C[C@@H](C)O 34a_100000211376_100009817552 [0,1,0,1,0,0|2,0,0]=4 24720 B11R1.90 C=C(C)CCN1CCC[C@@H]1C 2230a_100020605311_100000730704 [0,1,0,1,0,0|1,0,1]=4 24721 B11R1.90 C=C(C)CCN1CCC[C@@H]1C 269982a_100020605311_100000730704 [0,1,0,1,0,0|1,0,1]=4 24722 B11R1.90 C=C(C)CCN1CCC[C@H]1C 2230a_100015189458_100000730704 [0,1,0,1,0,0|1,0,1]=4 24723 B11R1.90 C=C(C)CCN1CCC[C@H]1C 269982a_100015189458_100000730704 [0,1,0,1,0,0|1,0,1]=4 24724 B11R1.90 C=C(C)CCN1CCC[C@H]1C 34a_100015189458_100000730704 [0,1,0,1,0,0|1,0,1]=4 24725 B11R1.90 CC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000053229 [0,1,0,1,0,0|1,0,1]=4 24726 B11R1.90 CC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000053229 [0,1,0,1,0,0|1,0,1]=4 24727 B11R1.90 CC(C)CCN1CCC[C@@H]1C 2230a_100020605311_100000210312 [0,1,0,1,0,0|1,0,0]=3 24728 B11R1.90 CC(C)CCN1CCC[C@@H]1C 269982a_100020605311_100000210312 [0,1,0,1,0,0|1,0,0]=3 24729 B11R1.90 CC(C)CCN1CCC[C@H]1C 2230a_100015189458_100000210312 [0,1,0,1,0,0|1,0,0]=3 24730 B11R1.90 CC(C)CCN1CCC[C@H]1C 269982a_100015189458_100000210312 [0,1,0,1,0,0|1,0,0]=3 24731 B11R1.90 CC(C)CCN1CCC[C@H]1C 34a_100015189458_100000210312 [0,1,0,1,0,0|1,0,0]=3 24732 B11R1.90 CC(C)CCN1CCSC1C 2230a_200011216479_100000210312 [0,1,0,1,0,0|2,0,0]=4 24733 B11R1.90 CC(C)CCN1CCSC1C 269982a_200011216479_100000210312 [0,1,0,1,0,0|2,0,0]=4 24734 B11R1.90 CC(C)CCN1CCSC1C 34a_200011216479_100000210312 [0,1,0,1,0,0|2,0,0]=4 24735 B11R1.90 CC(C)CNC1CCCC1C 269862a_100000210953_100000752053 [0,1,0,1,0,0|2,0,0]=4 24736 B11R1.90 CC(C)COC1CCCC1C 34a_100011216460_100000210624 [0,1,0,1,0,0|2,0,0]=4 24737 B11R1.90 CC(C)COC1CCCC1C 7a_100011216460_100000210760 [0,1,0,1,0,0|2,0,0]=4 24738 B11R1.90 CC(C)OCN1CCC[C@@H]1C 2230a_100020605311_100000709892 [0,1,0,1,0,0|2,0,0]=4 24739 B11R1.90 CC(C)OCN1CCC[C@@H]1C 269982a_100020605311_100000709892 [0,1,0,1,0,0|2,0,0]=4 24740 B11R1.90 CC(C)OCN1CCC[C@H]1C 2230a_100015189458_100000709892 [0,1,0,1,0,0|2,0,0]=4 24741 B11R1.90 CC(C)OCN1CCC[C@H]1C 269982a_100015189458_100000709892 [0,1,0,1,0,0|2,0,0]=4 24742 B11R1.90 CC(C)OCN1CCC[C@H]1C 34a_100015189458_100000709892 [0,1,0,1,0,0|2,0,0]=4 24743 B11R1.90 CC(O)CCN1CCC[C@@H]1C 2230a_100020605311_100012276601 [0,1,0,1,0,0|1,0,0]=3 24744 B11R1.90 CC(O)CCN1CCC[C@@H]1C 269982a_100020605311_100012276601 [0,1,0,1,0,0|1,0,0]=3 24745 B11R1.90 CC(O)CCN1CCC[C@H]1C 2230a_100015189458_100012276601 [0,1,0,1,0,0|1,0,0]=3 24746 B11R1.90 CC(O)CCN1CCC[C@H]1C 269982a_100015189458_100012276601 [0,1,0,1,0,0|1,0,0]=3 24747 B11R1.90 CC(O)CCN1CCC[C@H]1C 34a_100015189458_100012276601 [0,1,0,1,0,0|1,0,0]=3 24748 B11R1.90 CC(O)CCN1CCSC1C 2230a_200011216479_100012276601 [0,1,0,1,0,0|2,0,0]=4 24749 B11R1.90 CC(O)CCN1CCSC1C 269982a_200011216479_100012276601 [0,1,0,1,0,0|2,0,0]=4 24750 B11R1.90 CC(O)CCN1CCSC1C 34a_200011216479_100012276601 [0,1,0,1,0,0|2,0,0]=4 24751 B11R1.90 CC(O)CNC1CCCC1C 269862a_100000210904_100000752053 [0,1,0,1,0,0|2,0,0]=4 24752 B11R1.90 CC(O)COC1CCCC1C 34a_100011216460_100011218427 [0,1,0,1,0,0|2,0,0]=4 24753 B11R1.90 CC(O)COC1CCCC1C 7a_100011216460_100011218427 [0,1,0,1,0,0|2,0,0]=4 24754 B11R1.90 CC1CCCC1OC[C@@H](C)O 34a_100011216460_100009817552 [0,1,0,1,0,0|2,0,0]=4 24755 B11R1.90 CC1CCCC1OC[C@@H](C)O 7a_100011216460_100009817552 [0,1,0,1,0,0|2,0,0]=4 24756 B11R1.90 C[C@@H]1CCCN1CCN(C)C 269982a_100015189458_100000755713 [0,1,0,1,0,0|2,0,0]=4 24757 B11R1.90 C[C@H]1CCCN1CCN(C)C 269982a_100020605311_100000755713 [0,1,0,1,0,0|2,0,0]=4 24758 B11R1.91 C=C(C)COC1CCCCO1 34a_100000033831_100000748629 [0,1,0,1,0,0|1,0,1]=4 24759 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [0,1,0,1,0,0|1,0,1]=4 24760 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [0,1,0,1,0,0|1,0,1]=4 24761 B11R1.91 CC(=O)CCC1OCCCO1 1458a_100000070787_100000764188 [0,1,0,1,0,0|1,0,1]=4 24762 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [0,1,0,1,0,0|1,0,1]=4 24763 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [0,1,0,1,0,0|1,0,1]=4 24764 B11R1.91 CC(=O)CCN1CCCCO1 1458a_200015184090_200000210301 [0,1,0,1,0,0|1,0,1]=4 24765 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [0,1,0,1,0,0|1,0,1]=4 24766 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [0,1,0,1,0,0|1,0,1]=4 24767 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [0,1,0,1,0,0|1,0,1]=4 24768 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [0,1,0,1,0,0|1,0,1]=4 24769 B11R1.91 CC(Br)COC1CCCCC1 34a_100012180447_100000210327 [0,1,0,1,0,0|2,0,0]=4 24770 B11R1.91 CC(C)CCN1CCCOC1 2230a_100000131196_100000210312 [0,1,0,1,0,0|2,0,0]=4 24771 B11R1.91 CC(C)CCN1CCCOC1 269982a_100000131196_100000210312 [0,1,0,1,0,0|2,0,0]=4 24772 B11R1.91 CC(C)CCN1CCCOC1 34a_100000131196_100000210312 [0,1,0,1,0,0|2,0,0]=4 24773 B11R1.91 CC(C)CCN1CCOCC1 2230a_100015191051_100000210312 [0,1,0,1,0,0|2,0,0]=4 24774 B11R1.91 CC(C)CCN1CCOCC1 269982a_100015191051_100000210312 [0,1,0,1,0,0|2,0,0]=4 24775 B11R1.91 CC(C)CCN1CCOCC1 34a_100015191051_100000210312 [0,1,0,1,0,0|2,0,0]=4 24776 B11R1.91 CC(C)CCN1CCSCC1 2230a_100000737611_100000210312 [0,1,0,1,0,0|2,0,0]=4 24777 B11R1.91 CC(C)CCN1CCSCC1 269982a_100000737611_100000210312 [0,1,0,1,0,0|2,0,0]=4 24778 B11R1.91 CC(C)CNC1CCCCC1 2230a_100000182618_100000210760 [0,1,0,1,0,0|2,0,0]=4 24779 B11R1.91 CC(C)CNC1CCCCC1 270004a_100000182618_100000210432 [0,1,0,1,0,0|2,0,0]=4 24780 B11R1.91 CC(C)CNC1CCCCC1 270004a_100000210953_100000210434 [0,1,0,1,0,0|2,0,0]=4 24781 B11R1.91 CC(C)CNC1CCCCC1 34a_100000182618_100000210624 [0,1,0,1,0,0|2,0,0]=4 24782 B11R1.91 CC(C)CNC1CCCCC1 34a_100000210953_100000210327 [0,1,0,1,0,0|2,0,0]=4 24783 B11R1.91 CC(C)COC1CCCCC1 34a_100000210231_100000210624 [0,1,0,1,0,0|2,0,0]=4 24784 B11R1.91 CC(C)COC1CCCCC1 34a_100000210257_100000210327 [0,1,0,1,0,0|2,0,0]=4 24785 B11R1.91 CC(C)COC1CCCCC1 7a_100000210231_100000210760 [0,1,0,1,0,0|2,0,0]=4 24786 B11R1.91 CC(C)COC1CCCCO1 34a_100000033831_100000210624 [0,1,0,1,0,0|1,0,0]=3 24787 B11R1.91 CC(C)CSC1CCCCC1 62a_100000210327_100000210760 [0,1,0,1,0,0|2,0,0]=4 24788 B11R1.91 CC(C)CSC1CCCCC1 62a_100000210624_100000210327 [0,1,0,1,0,0|2,0,0]=4 24789 B11R1.91 CC(C)NCC1CCCCC1 2230a_100000210473_100000210206 [0,1,0,1,0,0|2,0,0]=4 24790 B11R1.91 CC(C)NCC1CCCCC1 2230a_100138425928_100000211423 [0,1,0,1,0,0|2,0,0]=4 24791 B11R1.91 CC(C)NCC1CCCCC1 34a_100000210473_100000210206 [0,1,0,1,0,0|2,0,0]=4 24792 B11R1.91 CC(C)NCC1CCCCC1 34a_100138425928_100000211423 [0,1,0,1,0,0|2,0,0]=4 24793 B11R1.91 CC(C)NCC1CCCCO1 2230a_100000174945_100000210206 [0,1,0,1,0,0|1,0,0]=3 24794 B11R1.91 CC(C)NCC1CCCCO1 2230a_100138425928_100000211543 [0,1,0,1,0,0|1,0,0]=3 24795 B11R1.91 CC(C)NCC1CCCCO1 34a_100000174945_100000210206 [0,1,0,1,0,0|1,0,0]=3 24796 B11R1.91 CC(C)NCC1CCCCO1 34a_100138425928_100000211543 [0,1,0,1,0,0|1,0,0]=3 24797 B11R1.91 CC(C)NC[C@H]1COCCO1 2230a_100010981119_100000210206 [0,1,0,1,0,0|2,0,0]=4 24798 B11R1.91 CC(C)NC[C@H]1COCCO1 34a_100010981119_100000210206 [0,1,0,1,0,0|2,0,0]=4 24799 B11R1.91 CC(C)OCC1CCCCC1 34a_100000212181_100000210206 [0,1,0,1,0,0|2,0,0]=4 24800 B11R1.91 CC(C)OCC1CCCCC1 34a_100000212225_100000211423 [0,1,0,1,0,0|2,0,0]=4 24801 B11R1.91 CC(C)OCC1CCCCC1 7a_100000212181_100000210206 [0,1,0,1,0,0|2,0,0]=4 24802 B11R1.91 CC(C)OCC1CCCCN1 34a_100000210821_100000210206 [0,1,0,1,0,0|2,0,0]=4 24803 B11R1.91 CC(C)OCC1CCCCO1 34a_100000211370_100000210206 [0,1,0,1,0,0|1,0,0]=3 24804 B11R1.91 CC(C)OCC1CCCCO1 34a_100000212225_100000211543 [0,1,0,1,0,0|1,0,0]=3 24805 B11R1.91 CC(C)OCC1CCCCO1 7a_100000211370_100000210206 [0,1,0,1,0,0|1,0,0]=3 24806 B11R1.91 CC(C)OC[C@@H]1CNCCO1 34a_100015189573_100000210206 [0,1,0,1,0,0|2,0,0]=4 24807 B11R1.91 CC(C)OC[C@H]1COCCO1 34a_100009875890_100000210206 [0,1,0,1,0,0|2,0,0]=4 24808 B11R1.91 CC(C)SCC1CCCCC1 62a_100000210206_100000211423 [0,1,0,1,0,0|2,0,0]=4 24809 B11R1.91 CC(C)SCC1CCCCC1 62a_100000211423_100000210206 [0,1,0,1,0,0|2,0,0]=4 24810 B11R1.91 CC(C)SCC1CCCCO1 62a_100000210206_100000211543 [0,1,0,1,0,0|1,0,0]=3 24811 B11R1.91 CC(C)SCC1CCCCO1 62a_100000211543_100000210206 [0,1,0,1,0,0|1,0,0]=3 24812 B11R1.91 CC(F)COC1CCCCC1 34a_100015925927_100000210327 [0,1,0,1,0,0|2,0,0]=4 24813 B11R1.91 CC(O)CCN1CCCOC1 2230a_100000131196_100012276601 [0,1,0,1,0,0|2,0,0]=4 24814 B11R1.91 CC(O)CCN1CCCOC1 269982a_100000131196_100012276601 [0,1,0,1,0,0|2,0,0]=4 24815 B11R1.91 CC(O)CCN1CCCOC1 34a_100000131196_100012276601 [0,1,0,1,0,0|2,0,0]=4 24816 B11R1.91 CC(O)CCN1CCOCC1 2230a_100015191051_100012276601 [0,1,0,1,0,0|2,0,0]=4 24817 B11R1.91 CC(O)CCN1CCOCC1 269982a_100015191051_100012276601 [0,1,0,1,0,0|2,0,0]=4 24818 B11R1.91 CC(O)CCN1CCOCC1 34a_100015191051_100012276601 [0,1,0,1,0,0|2,0,0]=4 24819 B11R1.91 CC(O)CCN1CCSCC1 2230a_100000737611_100012276601 [0,1,0,1,0,0|2,0,0]=4 24820 B11R1.91 CC(O)CCN1CCSCC1 269982a_100000737611_100012276601 [0,1,0,1,0,0|2,0,0]=4 24821 B11R1.91 CC(O)CNC1CCCCC1 2230a_100000182618_100011218427 [0,1,0,1,0,0|2,0,0]=4 24822 B11R1.91 CC(O)CNC1CCCCC1 270004a_100000210904_100000210434 [0,1,0,1,0,0|2,0,0]=4 24823 B11R1.91 CC(O)CNC1CCCCC1 34a_100000182618_100011218427 [0,1,0,1,0,0|2,0,0]=4 24824 B11R1.91 CC(O)CNC1CCCCC1 34a_100000210904_100000210327 [0,1,0,1,0,0|2,0,0]=4 24825 B11R1.91 CC(O)COC1CCCCC1 34a_100000210231_100011218427 [0,1,0,1,0,0|2,0,0]=4 24826 B11R1.91 CC(O)COC1CCCCC1 7a_100000210231_100011218427 [0,1,0,1,0,0|2,0,0]=4 24827 B11R1.91 CC(O)COC1CCCCO1 34a_100000033831_100011218427 [0,1,0,1,0,0|1,0,0]=3 24828 B11R1.91 CC(O)CSC1CCCCC1 62a_100000210327_100011218427 [0,1,0,1,0,0|2,0,0]=4 24829 B11R1.91 CC(O)CSC1CCCCC1 62a_100011218427_100000210327 [0,1,0,1,0,0|2,0,0]=4 24830 B11R1.91 CN(C)CCC1CCCCC1 2230a_100102631434_100012355289 [0,1,0,1,0,0|2,0,0]=4 24831 B11R1.91 CN(C)CCC1CCCCC1 269982a_100102631434_100011273959 [0,1,0,1,0,0|2,0,0]=4 24832 B11R1.91 CN(C)CCC1CCCCC1 270004a_100102631434_100011713444 [0,1,0,1,0,0|2,0,0]=4 24833 B11R1.91 CN(C)CCC1CCCCO1 2230a_100015183322_200000210301 [0,1,0,1,0,0|1,0,0]=3 24834 B11R1.91 CN(C)CCC1CCCCO1 269982a_100015183322_200000210301 [0,1,0,1,0,0|1,0,0]=3 24835 B11R1.91 CN(C)CCC1CCCCO1 34a_100015183322_200000210301 [0,1,0,1,0,0|1,0,0]=3 24836 B11R1.91 CN(C)CCC1OCCCO1 2230a_100102631434_100000764188 [0,1,0,1,0,0|2,0,0]=4 24837 B11R1.91 CN(C)CCC1OCCCO1 269982a_100102631434_100000764188 [0,1,0,1,0,0|2,0,0]=4 24838 B11R1.91 CN(C)CCN1CCCCC1 2230a_100102631434_100000739454 [0,1,0,1,0,0|2,0,0]=4 24839 B11R1.91 CN(C)CCN1CCCCC1 269982a_100102631434_100000739454 [0,1,0,1,0,0|2,0,0]=4 24840 B11R1.91 CN([13CH3])CCC1CCCCO1 2230a_100015183322_200025704644 [0,1,0,1,0,0|1,0,0]=3 24841 B11R1.91 CN([13CH3])CCC1CCCCO1 269982a_100015183322_200025704644 [0,1,0,1,0,0|1,0,0]=3 24842 B11R1.91 CN([13CH3])CCC1CCCCO1 34a_100015183322_200025704644 [0,1,0,1,0,0|1,0,0]=3 24843 B11R1.91 C[C@@H](Cl)COC1CCCCC1 34a_100016084084_100000210327 [0,1,0,1,0,0|2,0,0]=4 24844 B11R1.91 C[C@@H](N)COC1CCCCC1 34a_100000737577_100000210327 [0,1,0,1,0,0|2,0,0]=4 24845 B11R1.91 C[C@@H](O)CNC1CCCCC1 2230a_100000182618_100009817552 [0,1,0,1,0,0|2,0,0]=4 24846 B11R1.91 C[C@@H](O)CNC1CCCCC1 34a_100000182618_100009817552 [0,1,0,1,0,0|2,0,0]=4 24847 B11R1.91 C[C@@H](O)COC1CCCCC1 34a_100000210231_100009817552 [0,1,0,1,0,0|2,0,0]=4 24848 B11R1.91 C[C@@H](O)COC1CCCCC1 7a_100000210231_100009817552 [0,1,0,1,0,0|2,0,0]=4 24849 B11R1.91 C[C@@H](O)COC1CCCCO1 34a_100000033831_100009817552 [0,1,0,1,0,0|1,0,0]=3 24850 B11R1.91 C[C@@H](O)CSC1CCCCC1 62a_100000210327_100009817552 [0,1,0,1,0,0|2,0,0]=4 24851 B11R1.91 C[C@@H](O)CSC1CCCCC1 62a_100009817552_100000210327 [0,1,0,1,0,0|2,0,0]=4 24852 B11R1.91 FC(F)COC1CCCCO1 34a_100000033831_100011934356 [0,1,0,1,0,0|2,0,0]=4 24853 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [0,1,0,1,0,0|1,0,1]=4 24854 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [0,1,0,1,0,0|1,0,1]=4 24855 B11R1.91 [13CH3]C(=O)CCN1CCCCO1 1458a_200015184090_200025704644 [0,1,0,1,0,0|1,0,1]=4 24856 B11R1.99 BrCCCCCCOC1CC1 34a_100011215345_100000211595 [0,1,0,1,0,0|2,0,0]=4 24857 B11R1.99 BrCCCCCOCC1CC1 34a_100000746331_100000742324 [0,1,0,1,0,0|0,0,0]=2 24858 B11R1.99 BrCCCCCOCC1CC1 7a_100000746331_100000742324 [0,1,0,1,0,0|0,0,0]=2 24859 B11R1.99 BrCCCCCOCC1CO1 34a_100000746331_102125554688 [0,1,0,1,0,0|1,0,0]=3 24860 B11R1.99 BrCCCCCOCC1CO1 7a_100000746331_102125554688 [0,1,0,1,0,0|1,0,0]=3 24861 B11R1.99 BrCCCCCOCC1CS1 7a_100000746331_100000031435 [0,1,0,1,0,0|1,0,0]=3 24862 B11R1.99 BrCCCCCOC[C@@H]1CO1 7a_100000746331_100000745022 [0,1,0,1,0,0|1,0,0]=3 24863 B11R1.99 BrCCCCOCCC1CC1 34a_100011216708_100000694398 [0,1,0,1,0,0|0,0,0]=2 24864 B11R1.99 BrCCCCOCCC1CO1 34a_100011216708_100000732470 [0,1,0,1,0,0|1,0,0]=3 24865 B11R1.99 BrCCCOCC#CC1CC1 34a_100011217188_100009895102 [0,1,0,1,0,0|1,0,1]=4 24866 B11R1.99 BrCCCOCCCC1CO1 34a_100011217188_100000733510 [0,1,0,1,0,0|1,0,0]=3 24867 B11R1.99 BrCCOCCOCC1CC1 34a_100000692535_100000742324 [0,1,0,1,0,0|1,0,0]=3 24868 B11R1.99 BrCCOCCOCC1CC1 7a_100000692535_100000742324 [0,1,0,1,0,0|1,0,0]=3 24869 B11R1.99 BrCCOCCOCC1CO1 34a_100000692535_102125554688 [0,1,0,1,0,0|2,0,0]=4 24870 B11R1.99 BrCCOCCOCC1CO1 7a_100000692535_102125554688 [0,1,0,1,0,0|2,0,0]=4 24871 B11R1.99 BrCCOCCOCC1CS1 7a_100000692535_100000031435 [0,1,0,1,0,0|2,0,0]=4 24872 B11R1.99 BrCCOCCOC[C@@H]1CO1 7a_100000692535_100000745022 [0,1,0,1,0,0|2,0,0]=4 24873 B11R1.99 C#CCCCCNCC1CC1 2230a_100000706060_100000742324 [0,1,0,1,0,0|1,0,1]=4 24874 B11R1.99 C#CCCCCNCC1CC1 2230a_100000735609_100010269958 [0,1,0,1,0,0|1,0,1]=4 24875 B11R1.99 C#CCCCCNCC1CC1 34a_100000706060_100000742324 [0,1,0,1,0,0|1,0,1]=4 24876 B11R1.99 C#CCCCCNCC1CC1 34a_100000735609_100010269958 [0,1,0,1,0,0|1,0,1]=4 24877 B11R1.99 C#CCCCCOCC1CC1 34a_100000211283_100010269958 [0,1,0,1,0,0|0,0,1]=3 24878 B11R1.99 C#CCCCCOCC1CC1 34a_100000766709_100000742324 [0,1,0,1,0,0|0,0,1]=3 24879 B11R1.99 C#CCCCCOCC1CC1 7a_100000766709_100000742324 [0,1,0,1,0,0|0,0,1]=3 24880 B11R1.99 C#CCCCCOCC1CO1 34a_100000766709_102125554688 [0,1,0,1,0,0|1,0,1]=4 24881 B11R1.99 C#CCCCCOCC1CO1 7a_100000766709_102125554688 [0,1,0,1,0,0|1,0,1]=4 24882 B11R1.99 C#CCCCCOCC1CS1 7a_100000766709_100000031435 [0,1,0,1,0,0|1,0,1]=4 24883 B11R1.99 C#CCCCCOC[C@@H]1CO1 34a_100000757423_100010269958 [0,1,0,1,0,0|1,0,1]=4 24884 B11R1.99 C#CCCCCOC[C@@H]1CO1 7a_100000766709_100000745022 [0,1,0,1,0,0|1,0,1]=4 24885 B11R1.99 C#CCCCCSCC1CC1 62a_100000756562_100010269958 [0,1,0,1,0,0|0,1,1]=4 24886 B11R1.99 C#CCCCCSCC1CC1 62a_100010269958_100000742324 [0,1,0,1,0,0|0,1,1]=4 24887 B11R1.99 C#CCCCNCCC1CC1 34a_100000718082_100000694398 [0,1,0,1,0,0|1,0,1]=4 24888 B11R1.99 C#CCCCNCCC1CC1 34a_100000764129_100000695029 [0,1,0,1,0,0|1,0,1]=4 24889 B11R1.99 C#CCCCOCCC1CC1 34a_100000215630_100000694398 [0,1,0,1,0,0|0,0,1]=3 24890 B11R1.99 C#CCCCOCCC1CC1 34a_100000754188_100000695029 [0,1,0,1,0,0|0,0,1]=3 24891 B11R1.99 C#CCCCOCCC1CC1 7a_100000215630_100000764125 [0,1,0,1,0,0|0,0,1]=3 24892 B11R1.99 C#CCCCOCCC1CC1 7a_100000754188_100011215417 [0,1,0,1,0,0|0,0,1]=3 24893 B11R1.99 C#CCCCOCCC1CO1 34a_100000215630_100000732470 [0,1,0,1,0,0|0,0,2]=4 24894 B11R1.99 C#CCCCOCCC1CO1 7a_100000215630_100000732470 [0,1,0,1,0,0|0,0,2]=4 24895 B11R1.99 C#CCCCOCC[C@@H]1CO1 34a_100009820653_100000695029 [0,1,0,1,0,0|0,0,2]=4 24896 B11R1.99 C#CCCCSCCC1CC1 62a_100000764125_100011215417 [0,1,0,1,0,0|0,1,1]=4 24897 B11R1.99 C#CCCCSCCC1CC1 62a_100011215417_100000764125 [0,1,0,1,0,0|0,1,1]=4 24898 B11R1.99 C#CCCOCCCC1CO1 34a_100011215631_100000733510 [0,1,0,1,0,0|0,0,2]=4 24899 B11R1.99 C#CCCOCCNC1CC1 34a_100000738766_100000688953 [0,1,0,1,0,0|0,0,2]=4 24900 B11R1.99 C#CCOCCOCC1CC1 34a_100000054580_100000742324 [0,1,0,1,0,0|0,0,2]=4 24901 B11R1.99 C#CCOCCOCC1CC1 34a_100000211283_100010402529 [0,1,0,1,0,0|0,0,2]=4 24902 B11R1.99 C#CCOCCOCC1CC1 7a_100000054580_100000742324 [0,1,0,1,0,0|0,0,2]=4 24903 B11R1.99 C/C=C/CCOCCC1CC1 34a_100016278192_100000694398 [0,1,0,1,0,0|0,0,1]=3 24904 B11R1.99 C/C=C/CCOCCC1CO1 34a_100016278192_100000732470 [0,1,0,1,0,0|0,0,2]=4 24905 B11R1.99 C/C=C/COCCCC1CO1 34a_100016270725_100000733510 [0,1,0,1,0,0|0,0,2]=4 24906 B11R1.99 C/C=C/COCCNC1CC1 34a_100000738766_100102629194 [0,1,0,1,0,0|0,0,2]=4 24907 B11R1.99 C=CCCCCNCC1CC1 2230a_100000703577_100000742324 [0,1,0,1,0,0|1,0,1]=4 24908 B11R1.99 C=CCCCCNCC1CC1 2230a_100000735609_100011215482 [0,1,0,1,0,0|1,0,1]=4 24909 B11R1.99 C=CCCCCNCC1CC1 269862a_100000703577_100000741477 [0,1,0,1,0,0|1,0,1]=4 24910 B11R1.99 C=CCCCCNCC1CC1 34a_100000703577_100000742324 [0,1,0,1,0,0|1,0,1]=4 24911 B11R1.99 C=CCCCCNCC1CC1 34a_100000735609_100011215482 [0,1,0,1,0,0|1,0,1]=4 24912 B11R1.99 C=CCCCCOCC1CC1 34a_100000211283_100011215482 [0,1,0,1,0,0|0,0,1]=3 24913 B11R1.99 C=CCCCCOCC1CC1 34a_100000766645_100000742324 [0,1,0,1,0,0|0,0,1]=3 24914 B11R1.99 C=CCCCCOCC1CC1 7a_100000766645_100000742324 [0,1,0,1,0,0|0,0,1]=3 24915 B11R1.99 C=CCCCCOCC1CO1 34a_100000766645_102125554688 [0,1,0,1,0,0|1,0,1]=4 24916 B11R1.99 C=CCCCCOCC1CO1 7a_100000766645_102125554688 [0,1,0,1,0,0|1,0,1]=4 24917 B11R1.99 C=CCCCCOCC1CS1 7a_100000766645_100000031435 [0,1,0,1,0,0|1,0,1]=4 24918 B11R1.99 C=CCCCCOC[C@@H]1CO1 34a_100000757423_100011215482 [0,1,0,1,0,0|1,0,1]=4 24919 B11R1.99 C=CCCCCOC[C@@H]1CO1 7a_100000766645_100000745022 [0,1,0,1,0,0|1,0,1]=4 24920 B11R1.99 C=CCCCCSCC1CC1 62a_100000756562_100011215482 [0,1,0,1,0,0|0,1,1]=4 24921 B11R1.99 C=CCCCCSCC1CC1 62a_100011215482_100000742324 [0,1,0,1,0,0|0,1,1]=4 24922 B11R1.99 C=CCCCNCCC1CC1 2230a_100000700776_100000694398 [0,1,0,1,0,0|1,0,1]=4 24923 B11R1.99 C=CCCCNCCC1CC1 34a_100000700776_100000694398 [0,1,0,1,0,0|1,0,1]=4 24924 B11R1.99 C=CCCCNCCC1CC1 34a_100000764129_100000757094 [0,1,0,1,0,0|1,0,1]=4 24925 B11R1.99 C=CCCCOCCC1CC1 34a_100000754188_100000757094 [0,1,0,1,0,0|0,0,1]=3 24926 B11R1.99 C=CCCCOCCC1CC1 34a_100000758997_100000694398 [0,1,0,1,0,0|0,0,1]=3 24927 B11R1.99 C=CCCCOCCC1CC1 7a_100000754188_100000757094 [0,1,0,1,0,0|0,0,1]=3 24928 B11R1.99 C=CCCCOCCC1CC1 7a_100000758997_100000764125 [0,1,0,1,0,0|0,0,1]=3 24929 B11R1.99 C=CCCCOCCC1CO1 34a_100000758997_100000732470 [0,1,0,1,0,0|0,0,2]=4 24930 B11R1.99 C=CCCCOCCC1CO1 7a_100000758997_100000732470 [0,1,0,1,0,0|0,0,2]=4 24931 B11R1.99 C=CCCCOCC[C@@H]1CO1 34a_100009820653_100000757094 [0,1,0,1,0,0|0,0,2]=4 24932 B11R1.99 C=CCCCSCCC1CC1 62a_100000764125_100000757094 [0,1,0,1,0,0|0,1,1]=4 24933 B11R1.99 C=CCCCSCCC1CC1 62a_100011713584_100000764125 [0,1,0,1,0,0|0,1,1]=4 24934 B11R1.99 C=CCCOCCCC1CO1 34a_100011205117_100000733510 [0,1,0,1,0,0|0,0,2]=4 24935 B11R1.99 C=CCCOCCNC1CC1 34a_100000738766_100000754431 [0,1,0,1,0,0|0,0,2]=4 24936 B11R1.99 C=CCOCCOCC1CC1 34a_100000037705_100000742324 [0,1,0,1,0,0|0,0,2]=4 24937 B11R1.99 C=CCOCCOCC1CC1 7a_100000037705_100000742324 [0,1,0,1,0,0|0,0,2]=4 24938 B11R1.99 C=COCCOCCC1CC1 34a_100000033082_100000694398 [0,1,0,1,0,0|0,0,2]=4 24939 B11R1.99 C=COCCOCCC1CC1 34a_100000754188_100000039644 [0,1,0,1,0,0|0,0,2]=4 24940 B11R1.99 C=COCCOCCC1CC1 7a_100000754188_100000039644 [0,1,0,1,0,0|0,0,2]=4 24941 B11R1.99 CC#CCCOCCC1CC1 34a_100000750427_100000694398 [0,1,0,1,0,0|0,0,1]=3 24942 B11R1.99 CC#CCCOCCC1CO1 34a_100000750427_100000732470 [0,1,0,1,0,0|0,0,2]=4 24943 B11R1.99 CC#CCOCCCC1CO1 34a_100000761923_100000733510 [0,1,0,1,0,0|0,0,2]=4 24944 B11R1.99 CC#CCOCCNC1CC1 34a_100000738766_100000748600 [0,1,0,1,0,0|0,0,2]=4 24945 B11R1.99 CC/C=C\CCNCC1CC1 2230a_100000735609_100015370543 [0,1,0,1,0,0|1,0,1]=4 24946 B11R1.99 CC/C=C\CCNCC1CC1 34a_100000735609_100015370543 [0,1,0,1,0,0|1,0,1]=4 24947 B11R1.99 CC/C=C\CCOCC1CC1 34a_100000211283_100015370543 [0,1,0,1,0,0|0,0,1]=3 24948 B11R1.99 CC/C=C\CCOCC1CC1 34a_100016288707_100000742324 [0,1,0,1,0,0|0,0,1]=3 24949 B11R1.99 CC/C=C\CCOCC1CC1 7a_100016288707_100000742324 [0,1,0,1,0,0|0,0,1]=3 24950 B11R1.99 CC/C=C\CCOCC1CO1 34a_100016288707_102125554688 [0,1,0,1,0,0|1,0,1]=4 24951 B11R1.99 CC/C=C\CCOCC1CO1 7a_100016288707_102125554688 [0,1,0,1,0,0|1,0,1]=4 24952 B11R1.99 CC/C=C\CCOCC1CS1 7a_100016288707_100000031435 [0,1,0,1,0,0|1,0,1]=4 24953 B11R1.99 CC/C=C\CCOC[C@@H]1CO1 34a_100000757423_100015370543 [0,1,0,1,0,0|1,0,1]=4 24954 B11R1.99 CC/C=C\CCOC[C@@H]1CO1 7a_100016288707_100000745022 [0,1,0,1,0,0|1,0,1]=4 24955 B11R1.99 CC/C=C\CCSCC1CC1 62a_100000756562_100015370543 [0,1,0,1,0,0|0,1,1]=4 24956 B11R1.99 CC/C=C\CCSCC1CC1 62a_100015370543_100000742324 [0,1,0,1,0,0|0,1,1]=4 24957 B11R1.99 CC/C=C\CNCCC1CC1 34a_100000764129_100103147603 [0,1,0,1,0,0|1,0,1]=4 24958 B11R1.99 CC/C=C\COCCC1CC1 34a_100000754188_100103147603 [0,1,0,1,0,0|0,0,1]=3 24959 B11R1.99 CC/C=C\COCCC1CC1 34a_100016268518_100000694398 [0,1,0,1,0,0|0,0,1]=3 24960 B11R1.99 CC/C=C\COCCC1CC1 7a_100000754188_100103147603 [0,1,0,1,0,0|0,0,1]=3 24961 B11R1.99 CC/C=C\COCCC1CO1 34a_100016268518_100000732470 [0,1,0,1,0,0|0,0,2]=4 24962 B11R1.99 CC/C=C\COCC[C@@H]1CO1 34a_100009820653_100103147603 [0,1,0,1,0,0|0,0,2]=4 24963 B11R1.99 CC/C=C\CSCCC1CC1 62a_100000764125_100103147603 [0,1,0,1,0,0|0,1,1]=4 24964 B11R1.99 CC/C=C\CSCCC1CC1 62a_100103147603_100000764125 [0,1,0,1,0,0|0,1,1]=4 24965 B11R1.99 CC=C=CCCOCC1CC1 34a_100011020354_100000742324 [0,1,0,1,0,0|0,0,2]=4 24966 B11R1.99 CC=CCCCOCC1CC1 34a_100020645299_100000742324 [0,1,0,1,0,0|0,0,1]=3 24967 B11R1.99 CC=CCCCOCC1CO1 34a_100020645299_102125554688 [0,1,0,1,0,0|1,0,1]=4 24968 B11R1.99 CC=CCOCCNC1CC1 34a_100000738766_100000070051 [0,1,0,1,0,0|0,0,2]=4 24969 B11R1.99 CCC#CCCOCC1CC1 34a_100000036655_100000742324 [0,1,0,1,0,0|0,0,1]=3 24970 B11R1.99 CCC#CCCOCC1CC1 7a_100000036655_100000742324 [0,1,0,1,0,0|0,0,1]=3 24971 B11R1.99 CCC#CCCOCC1CO1 34a_100000036655_102125554688 [0,1,0,1,0,0|1,0,1]=4 24972 B11R1.99 CCC#CCCOCC1CO1 7a_100000036655_102125554688 [0,1,0,1,0,0|1,0,1]=4 24973 B11R1.99 CCC#CCCOCC1CS1 7a_100000036655_100000031435 [0,1,0,1,0,0|1,0,1]=4 24974 B11R1.99 CCC#CCCOC[C@@H]1CO1 7a_100000036655_100000745022 [0,1,0,1,0,0|1,0,1]=4 24975 B11R1.99 CCC#CCNCCC1CC1 34a_100000764129_100009813939 [0,1,0,1,0,0|1,0,1]=4 24976 B11R1.99 CCC#CCOCCC1CC1 34a_100000032950_100000694398 [0,1,0,1,0,0|0,0,1]=3 24977 B11R1.99 CCC#CCOCCC1CC1 34a_100000754188_100009813939 [0,1,0,1,0,0|0,0,1]=3 24978 B11R1.99 CCC#CCOCCC1CC1 7a_100000754188_100009813939 [0,1,0,1,0,0|0,0,1]=3 24979 B11R1.99 CCC#CCOCCC1CO1 34a_100000032950_100000732470 [0,1,0,1,0,0|0,0,2]=4 24980 B11R1.99 CCC#CCOCC[C@@H]1CO1 34a_100009820653_100009813939 [0,1,0,1,0,0|0,0,2]=4 24981 B11R1.99 CCC#CCSCCC1CC1 62a_100000764125_100009813939 [0,1,0,1,0,0|0,1,1]=4 24982 B11R1.99 CCC#CCSCCC1CC1 62a_100009813939_100000764125 [0,1,0,1,0,0|0,1,1]=4 24983 B11R1.99 CCC/C=C/COCC1CC1 34a_100016278788_100000742324 [0,1,0,1,0,0|0,0,1]=3 24984 B11R1.99 CCC/C=C/COCC1CC1 7a_100016278788_100000742324 [0,1,0,1,0,0|0,0,1]=3 24985 B11R1.99 CCC/C=C/COCC1CO1 34a_100016278788_102125554688 [0,1,0,1,0,0|1,0,1]=4 24986 B11R1.99 CCC/C=C/COCC1CO1 7a_100016278788_102125554688 [0,1,0,1,0,0|1,0,1]=4 24987 B11R1.99 CCC/C=C/COCC1CS1 7a_100016278788_100000031435 [0,1,0,1,0,0|1,0,1]=4 24988 B11R1.99 CCC/C=C/COC[C@@H]1CO1 7a_100016278788_100000745022 [0,1,0,1,0,0|1,0,1]=4 24989 B11R1.99 CCCC#CCCOC1CC1 34a_100000042726_100000211595 [0,1,0,1,0,0|1,0,1]=4 24990 B11R1.99 CCCC#CCOCC1CC1 34a_100000034806_100000742324 [0,1,0,1,0,0|0,0,1]=3 24991 B11R1.99 CCCC#CCOCC1CC1 7a_100000034806_100000742324 [0,1,0,1,0,0|0,0,1]=3 24992 B11R1.99 CCCC#CCOCC1CO1 34a_100000034806_102125554688 [0,1,0,1,0,0|1,0,1]=4 24993 B11R1.99 CCCC#CCOCC1CO1 7a_100000034806_102125554688 [0,1,0,1,0,0|1,0,1]=4 24994 B11R1.99 CCCC#CCOCC1CS1 7a_100000034806_100000031435 [0,1,0,1,0,0|1,0,1]=4 24995 B11R1.99 CCCC#CCOC[C@@H]1CO1 7a_100000034806_100000745022 [0,1,0,1,0,0|1,0,1]=4 24996 B11R1.99 CCCC/C=C/COC1CC1 34a_200016272032_100000211595 [0,1,0,1,0,0|1,0,1]=4 24997 B11R1.99 CCCCC#CCOC1CC1 34a_200000034558_100000211595 [0,1,0,1,0,0|1,0,1]=4 24998 B11R1.99 CCCCC=NNCC1CC1 4a_100000736359_100000210104 [0,1,0,1,0,0|1,0,1]=4 24999 B11R1.99 CCCCCC=NNC1CC1 4a_100000701032_100000737632 [0,1,0,1,0,0|2,0,0]=4 25000 B11R1.99 CCCCCCCNC1CC1 34a_100000212008_100000210614 [0,1,0,1,0,0|1,0,0]=3 25001 B11R1.99 CCCCCCCOC1CC1 34a_100000210272_100000211595 [0,1,0,1,0,0|1,0,0]=3 25002 B11R1.99 CCCCCCCSC1CC1 62a_100000210614_100000211595 [0,1,0,1,0,0|1,0,0]=3 25003 B11R1.99 CCCCCCNCC1CC1 2230a_100000210581_100000742324 [0,1,0,1,0,0|1,0,0]=3 25004 B11R1.99 CCCCCCNCC1CC1 2230a_100000735609_100000210314 [0,1,0,1,0,0|1,0,0]=3 25005 B11R1.99 CCCCCCNCC1CC1 269862a_100000210581_100000741477 [0,1,0,1,0,0|1,0,0]=3 25006 B11R1.99 CCCCCCNCC1CC1 34a_100000735609_100000210314 [0,1,0,1,0,0|1,0,0]=3 25007 B11R1.99 CCCCCCNCC1CO1 2230a_100000210581_100011216344 [0,1,0,1,0,0|2,0,0]=4 25008 B11R1.99 CCCCCCOCC1CC1 34a_100000210259_100000742324 [0,1,0,1,0,0|0,0,0]=2 25009 B11R1.99 CCCCCCOCC1CC1 34a_100000211283_100000210314 [0,1,0,1,0,0|0,0,0]=2 25010 B11R1.99 CCCCCCOCC1CC1 7a_100000210259_100000742324 [0,1,0,1,0,0|0,0,0]=2 25011 B11R1.99 CCCCCCOCC1CO1 34a_100000210259_102125554688 [0,1,0,1,0,0|1,0,0]=3 25012 B11R1.99 CCCCCCOCC1CO1 7a_100000210259_102125554688 [0,1,0,1,0,0|1,0,0]=3 25013 B11R1.99 CCCCCCOCC1CS1 7a_100000210259_100000031435 [0,1,0,1,0,0|1,0,0]=3 25014 B11R1.99 CCCCCCOC[C@@H]1CO1 34a_100000757423_100000210314 [0,1,0,1,0,0|1,0,0]=3 25015 B11R1.99 CCCCCCOC[C@@H]1CO1 7a_100000210259_100000745022 [0,1,0,1,0,0|1,0,0]=3 25016 B11R1.99 CCCCCCSCC1CC1 62a_100000210314_100000742324 [0,1,0,1,0,0|0,1,0]=3 25017 B11R1.99 CCCCCCSCC1CC1 62a_100000756562_100000210757 [0,1,0,1,0,0|0,1,0]=3 25018 B11R1.99 CCCCCCSCC1CO1 62a_100000210314_102125554688 [0,1,0,1,0,0|1,1,0]=4 25019 B11R1.99 CCCCCCSCC1CO1 62a_102125554688_100000210757 [0,1,0,1,0,0|1,1,0]=4 25020 B11R1.99 CCCCCCSCC1CS1 62a_100000031435_100000210757 [0,1,0,1,0,0|1,1,0]=4 25021 B11R1.99 CCCCCCSCC1CS1 62a_100000210314_100000031435 [0,1,0,1,0,0|1,1,0]=4 25022 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000210314_100000745022 [0,1,0,1,0,0|1,1,0]=4 25023 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000745022_100000210757 [0,1,0,1,0,0|1,1,0]=4 25024 B11R1.99 CCCCCNCCC1CC1 2230a_100000209983_100000694398 [0,1,0,1,0,0|1,0,0]=3 25025 B11R1.99 CCCCCNCCC1CC1 34a_100000764129_100000718602 [0,1,0,1,0,0|1,0,0]=3 25026 B11R1.99 CCCCCNCCC1CO1 2230a_100000209983_100000732470 [0,1,0,1,0,0|1,0,0]=3 25027 B11R1.99 CCCCCNN=CC1CC1 4a_100000694160_100000741477 [0,1,0,1,0,0|1,0,1]=4 25028 B11R1.99 CCCCCOCCC1CC1 34a_100000210253_100000694398 [0,1,0,1,0,0|0,0,0]=2 25029 B11R1.99 CCCCCOCCC1CC1 34a_100000754188_100000718602 [0,1,0,1,0,0|0,0,0]=2 25030 B11R1.99 CCCCCOCCC1CC1 7a_100000210253_100000764125 [0,1,0,1,0,0|0,0,0]=2 25031 B11R1.99 CCCCCOCCC1CC1 7a_100000754188_100000210326 [0,1,0,1,0,0|0,0,0]=2 25032 B11R1.99 CCCCCOCCC1CO1 34a_100000210253_100000732470 [0,1,0,1,0,0|0,0,0]=2 25033 B11R1.99 CCCCCOCCC1CO1 7a_100000210253_100000732470 [0,1,0,1,0,0|0,0,0]=2 25034 B11R1.99 CCCCCOCC[C@@H]1CO1 34a_100009820653_100000718602 [0,1,0,1,0,0|0,0,0]=2 25035 B11R1.99 CCCCCSCCC1CC1 62a_100000210326_100000764125 [0,1,0,1,0,0|0,1,0]=3 25036 B11R1.99 CCCCCSCCC1CC1 62a_100000764125_100000210326 [0,1,0,1,0,0|0,1,0]=3 25037 B11R1.99 CCCCCSCCC1CO1 62a_100000210326_100000732470 [0,1,0,1,0,0|0,1,0]=3 25038 B11R1.99 CCCCCSCCC1CO1 62a_100000732470_100000210326 [0,1,0,1,0,0|0,1,0]=3 25039 B11R1.99 CCCCNCC#CC1CC1 2230a_100000102301_100009895102 [0,1,0,1,0,0|1,0,1]=4 25040 B11R1.99 CCCCNCC#CC1CC1 7a_106832991798_100009895102 [0,1,0,1,0,0|1,0,1]=4 25041 B11R1.99 CCCCNCCCC1CO1 2230a_100000102301_100000733510 [0,1,0,1,0,0|1,0,0]=3 25042 B11R1.99 CCCCNCCCC1CO1 7a_106832991798_100000733510 [0,1,0,1,0,0|1,0,0]=3 25043 B11R1.99 CCCCOCC#CC1CC1 34a_100000083941_100000210210 [0,1,0,1,0,0|0,0,1]=3 25044 B11R1.99 CCCCOCC#CC1CC1 34a_100000210227_100009895102 [0,1,0,1,0,0|0,0,1]=3 25045 B11R1.99 CCCCOCC#CC1CC1 7a_100000083941_100000210211 [0,1,0,1,0,0|0,0,1]=3 25046 B11R1.99 CCCCOCC#CC1CC1 7a_100000210227_100009895102 [0,1,0,1,0,0|0,0,1]=3 25047 B11R1.99 CCCCOCCCC1CO1 34a_100000210227_100000733510 [0,1,0,1,0,0|0,0,0]=2 25048 B11R1.99 CCCCOCCCC1CO1 7a_100000210227_100000733510 [0,1,0,1,0,0|0,0,0]=2 25049 B11R1.99 CCCCOCCNC1CC1 34a_100000212008_100000743108 [0,1,0,1,0,0|0,0,0]=2 25050 B11R1.99 CCCCOCCNC1CC1 34a_100000738766_100000210210 [0,1,0,1,0,0|0,0,0]=2 25051 B11R1.99 CCCCOCCOC1CC1 34a_100000210238_100000211595 [0,1,0,1,0,0|0,0,0]=2 25052 B11R1.99 CCCCOCCSC1CC1 62a_100000743108_100000211595 [0,1,0,1,0,0|0,0,0]=2 25053 B11R1.99 CCCCOCNCC1CC1 2230a_100000735609_100011995733 [0,1,0,1,0,0|0,0,0]=2 25054 B11R1.99 CCCCOCNCC1CC1 34a_100000735609_100011995733 [0,1,0,1,0,0|0,0,0]=2 25055 B11R1.99 CCCCOCOCC1CC1 34a_100000211283_100011995733 [0,1,0,1,0,0|0,0,0]=2 25056 B11R1.99 CCCCOCOC[C@@H]1CO1 34a_100000757423_100011995733 [0,1,0,1,0,0|1,0,0]=3 25057 B11R1.99 CCCCOCSCC1CC1 62a_100000756562_100011995733 [0,1,0,1,0,0|0,0,0]=2 25058 B11R1.99 CCCCOCSCC1CC1 62a_100011995733_100000742324 [0,1,0,1,0,0|0,0,0]=2 25059 B11R1.99 CCCCOCSCC1CO1 62a_100011995733_102125554688 [0,1,0,1,0,0|1,0,0]=3 25060 B11R1.99 CCCCOCSCC1CO1 62a_102125554688_100011995733 [0,1,0,1,0,0|1,0,0]=3 25061 B11R1.99 CCCCOCSCC1CS1 62a_100000031435_100011995733 [0,1,0,1,0,0|1,0,0]=3 25062 B11R1.99 CCCCOCSCC1CS1 62a_100011995733_100000031435 [0,1,0,1,0,0|1,0,0]=3 25063 B11R1.99 CCCCOCSC[C@@H]1CO1 62a_100000745022_100011995733 [0,1,0,1,0,0|1,0,0]=3 25064 B11R1.99 CCCCOCSC[C@@H]1CO1 62a_100011995733_100000745022 [0,1,0,1,0,0|1,0,0]=3 25065 B11R1.99 CCCCSCC#CC1CC1 62a_100000210211_100009895102 [0,1,0,1,0,0|0,1,1]=4 25066 B11R1.99 CCCCSCC#CC1CC1 62a_100009895102_100000210210 [0,1,0,1,0,0|0,1,1]=4 25067 B11R1.99 CCCCSCCCC1CO1 62a_100000210211_100000733510 [0,1,0,1,0,0|0,1,0]=3 25068 B11R1.99 CCCCSCCCC1CO1 62a_100000733510_100000210210 [0,1,0,1,0,0|0,1,0]=3 25069 B11R1.99 CCCCSCCOC1CC1 34a_200000230436_100000211595 [0,1,0,1,0,0|0,1,0]=3 25070 B11R1.99 CCCOCCCNC1CC1 34a_100011217757_100000211595 [0,1,0,1,0,0|2,0,0]=4 25071 B11R1.99 CCCOCCNCC1CC1 2230a_100000735609_100011215938 [0,1,0,1,0,0|1,0,0]=3 25072 B11R1.99 CCCOCCNCC1CC1 2230a_100161115042_100000742324 [0,1,0,1,0,0|1,0,0]=3 25073 B11R1.99 CCCOCCNCC1CC1 269862a_100161115042_100000741477 [0,1,0,1,0,0|1,0,0]=3 25074 B11R1.99 CCCOCCNCC1CC1 34a_100000735609_100011215938 [0,1,0,1,0,0|1,0,0]=3 25075 B11R1.99 CCCOCCNCC1CC1 34a_100161115042_100000742324 [0,1,0,1,0,0|1,0,0]=3 25076 B11R1.99 CCCOCCNCC1CO1 2230a_100161115042_100011216344 [0,1,0,1,0,0|2,0,0]=4 25077 B11R1.99 CCCOCCNCC1CO1 34a_100161115042_102125554688 [0,1,0,1,0,0|2,0,0]=4 25078 B11R1.99 CCCOCCOCC1CC1 34a_100000211283_100011215938 [0,1,0,1,0,0|0,0,0]=2 25079 B11R1.99 CCCOCCOCC1CC1 34a_100000752267_100000742324 [0,1,0,1,0,0|0,0,0]=2 25080 B11R1.99 CCCOCCOCC1CC1 7a_100000752267_100000742324 [0,1,0,1,0,0|0,0,0]=2 25081 B11R1.99 CCCOCCOCC1CO1 34a_100000752267_102125554688 [0,1,0,1,0,0|1,0,0]=3 25082 B11R1.99 CCCOCCOCC1CO1 7a_100000752267_102125554688 [0,1,0,1,0,0|1,0,0]=3 25083 B11R1.99 CCCOCCOCC1CS1 7a_100000752267_100000031435 [0,1,0,1,0,0|1,0,0]=3 25084 B11R1.99 CCCOCCOC[C@@H]1CO1 34a_100000757423_100011215938 [0,1,0,1,0,0|1,0,0]=3 25085 B11R1.99 CCCOCCOC[C@@H]1CO1 7a_100000752267_100000745022 [0,1,0,1,0,0|1,0,0]=3 25086 B11R1.99 CCCOCCSCC1CC1 62a_100000756562_100011215938 [0,1,0,1,0,0|0,1,0]=3 25087 B11R1.99 CCCOCCSCC1CC1 62a_100011215938_100000742324 [0,1,0,1,0,0|0,1,0]=3 25088 B11R1.99 CCCOCCSCC1CO1 62a_100011215938_102125554688 [0,1,0,1,0,0|1,1,0]=4 25089 B11R1.99 CCCOCCSCC1CO1 62a_102125554688_100011215938 [0,1,0,1,0,0|1,1,0]=4 25090 B11R1.99 CCCOCCSCC1CS1 62a_100000031435_100011215938 [0,1,0,1,0,0|1,1,0]=4 25091 B11R1.99 CCCOCCSCC1CS1 62a_100011215938_100000031435 [0,1,0,1,0,0|1,1,0]=4 25092 B11R1.99 CCCOCCSC[C@@H]1CO1 62a_100000745022_100011215938 [0,1,0,1,0,0|1,1,0]=4 25093 B11R1.99 CCCOCCSC[C@@H]1CO1 62a_100011215938_100000745022 [0,1,0,1,0,0|1,1,0]=4 25094 B11R1.99 CCCSCCNCC1CC1 2230a_100020603323_100000742324 [0,1,0,1,0,0|1,0,0]=3 25095 B11R1.99 CCCSCCNCC1CC1 269862a_100020603323_100000741477 [0,1,0,1,0,0|1,0,0]=3 25096 B11R1.99 CCCSCCNCC1CO1 2230a_100020603323_100011216344 [0,1,0,1,0,0|2,0,0]=4 25097 B11R1.99 CCCSCCOCC1CC1 34a_200000230433_100000742324 [0,1,0,1,0,0|0,0,0]=2 25098 B11R1.99 CCCSCCOCC1CC1 7a_200000230433_100000742324 [0,1,0,1,0,0|0,0,0]=2 25099 B11R1.99 CCCSCCOCC1CO1 34a_200000230433_102125554688 [0,1,0,1,0,0|1,0,0]=3 25100 B11R1.99 CCCSCCOCC1CO1 7a_200000230433_102125554688 [0,1,0,1,0,0|1,0,0]=3 25101 B11R1.99 CCCSCCOCC1CS1 7a_200000230433_100000031435 [0,1,0,1,0,0|1,0,0]=3 25102 B11R1.99 CCCSCCOC[C@@H]1CO1 7a_200000230433_100000745022 [0,1,0,1,0,0|1,0,0]=3 25103 B11R1.99 CCOCCCNCC1CC1 2230a_100000210961_100000742324 [0,1,0,1,0,0|1,0,0]=3 25104 B11R1.99 CCOCCCNCC1CC1 2230a_100000735609_100012232248 [0,1,0,1,0,0|1,0,0]=3 25105 B11R1.99 CCOCCCNCC1CC1 269862a_100000210961_100000741477 [0,1,0,1,0,0|1,0,0]=3 25106 B11R1.99 CCOCCCNCC1CC1 34a_100000210961_100000742324 [0,1,0,1,0,0|1,0,0]=3 25107 B11R1.99 CCOCCCNCC1CC1 34a_100000735609_100012232248 [0,1,0,1,0,0|1,0,0]=3 25108 B11R1.99 CCOCCCNCC1CO1 2230a_100000210961_100011216344 [0,1,0,1,0,0|2,0,0]=4 25109 B11R1.99 CCOCCCNCC1CO1 34a_100000210961_102125554688 [0,1,0,1,0,0|2,0,0]=4 25110 B11R1.99 CCOCCCOCC1CC1 34a_100000211283_100012232248 [0,1,0,1,0,0|0,0,0]=2 25111 B11R1.99 CCOCCCOCC1CC1 34a_100000757476_100000742324 [0,1,0,1,0,0|0,0,0]=2 25112 B11R1.99 CCOCCCOCC1CC1 7a_100000757476_100000742324 [0,1,0,1,0,0|0,0,0]=2 25113 B11R1.99 CCOCCCOCC1CO1 34a_100000757476_102125554688 [0,1,0,1,0,0|1,0,0]=3 25114 B11R1.99 CCOCCCOCC1CO1 7a_100000757476_102125554688 [0,1,0,1,0,0|1,0,0]=3 25115 B11R1.99 CCOCCCOCC1CS1 7a_100000757476_100000031435 [0,1,0,1,0,0|1,0,0]=3 25116 B11R1.99 CCOCCCOC[C@@H]1CO1 34a_100000757423_100012232248 [0,1,0,1,0,0|1,0,0]=3 25117 B11R1.99 CCOCCCOC[C@@H]1CO1 7a_100000757476_100000745022 [0,1,0,1,0,0|1,0,0]=3 25118 B11R1.99 CCOCCCSCC1CC1 62a_100000756562_100012232248 [0,1,0,1,0,0|0,1,0]=3 25119 B11R1.99 CCOCCCSCC1CC1 62a_100012232248_100000742324 [0,1,0,1,0,0|0,1,0]=3 25120 B11R1.99 CCOCCCSCC1CO1 62a_100012232248_102125554688 [0,1,0,1,0,0|1,1,0]=4 25121 B11R1.99 CCOCCCSCC1CO1 62a_102125554688_100012232248 [0,1,0,1,0,0|1,1,0]=4 25122 B11R1.99 CCOCCCSCC1CS1 62a_100000031435_100012232248 [0,1,0,1,0,0|1,1,0]=4 25123 B11R1.99 CCOCCCSCC1CS1 62a_100012232248_100000031435 [0,1,0,1,0,0|1,1,0]=4 25124 B11R1.99 CCOCCCSC[C@@H]1CO1 62a_100000745022_100012232248 [0,1,0,1,0,0|1,1,0]=4 25125 B11R1.99 CCOCCCSC[C@@H]1CO1 62a_100012232248_100000745022 [0,1,0,1,0,0|1,1,0]=4 25126 B11R1.99 CCOCCNCCC1CC1 2230a_102516460346_100000694398 [0,1,0,1,0,0|1,0,0]=3 25127 B11R1.99 CCOCCNCCC1CC1 34a_100000764129_100000210147 [0,1,0,1,0,0|1,0,0]=3 25128 B11R1.99 CCOCCNCCC1CC1 34a_102516460346_100000694398 [0,1,0,1,0,0|1,0,0]=3 25129 B11R1.99 CCOCCNCCC1CO1 2230a_102516460346_100000732470 [0,1,0,1,0,0|2,0,0]=4 25130 B11R1.99 CCOCCNCCC1CO1 34a_102516460346_100000732470 [0,1,0,1,0,0|2,0,0]=4 25131 B11R1.99 CCOCCOCCC1CC1 34a_100000210136_100000694398 [0,1,0,1,0,0|0,0,0]=2 25132 B11R1.99 CCOCCOCCC1CC1 34a_100000754188_100000210147 [0,1,0,1,0,0|0,0,0]=2 25133 B11R1.99 CCOCCOCCC1CC1 7a_100000210136_100000764125 [0,1,0,1,0,0|0,0,0]=2 25134 B11R1.99 CCOCCOCCC1CC1 7a_100000754188_100011215890 [0,1,0,1,0,0|0,0,0]=2 25135 B11R1.99 CCOCCOCCC1CO1 34a_100000210136_100000732470 [0,1,0,1,0,0|1,0,0]=3 25136 B11R1.99 CCOCCOCCC1CO1 7a_100000210136_100000732470 [0,1,0,1,0,0|1,0,0]=3 25137 B11R1.99 CCOCCOCC[C@@H]1CO1 34a_100009820653_100000210147 [0,1,0,1,0,0|1,0,0]=3 25138 B11R1.99 CCOCCSCCC1CC1 62a_100000210147_100000764125 [0,1,0,1,0,0|0,1,0]=3 25139 B11R1.99 CCOCCSCCC1CC1 62a_100000764125_100011215890 [0,1,0,1,0,0|0,1,0]=3 25140 B11R1.99 CCOCCSCCC1CO1 62a_100000210147_100000732470 [0,1,0,1,0,0|1,1,0]=4 25141 B11R1.99 CCOCCSCCC1CO1 62a_100000732470_100011215890 [0,1,0,1,0,0|1,1,0]=4 25142 B11R1.99 CCOCSCCCC1CO1 62a_100000733510_100000739092 [0,1,0,1,0,0|1,1,0]=4 25143 B11R1.99 CCOCSCCCC1CO1 62a_100000739092_100000733510 [0,1,0,1,0,0|1,1,0]=4 25144 B11R1.99 CCSCCCOCC1CC1 34a_100011216438_100000742324 [0,1,0,1,0,0|0,0,0]=2 25145 B11R1.99 CCSCCCOCC1CC1 7a_100011216438_100000742324 [0,1,0,1,0,0|0,0,0]=2 25146 B11R1.99 CCSCCCOCC1CO1 34a_100011216438_102125554688 [0,1,0,1,0,0|1,0,0]=3 25147 B11R1.99 CCSCCCOCC1CO1 7a_100011216438_102125554688 [0,1,0,1,0,0|1,0,0]=3 25148 B11R1.99 CCSCCCOCC1CS1 7a_100011216438_100000031435 [0,1,0,1,0,0|1,0,0]=3 25149 B11R1.99 CCSCCCOC[C@@H]1CO1 7a_100011216438_100000745022 [0,1,0,1,0,0|1,0,0]=3 25150 B11R1.99 CCSCCNCCC1CC1 2230a_100000106463_100000694398 [0,1,0,1,0,0|1,0,0]=3 25151 B11R1.99 CCSCCNCCC1CC1 34a_100000764129_100000757381 [0,1,0,1,0,0|1,0,0]=3 25152 B11R1.99 CCSCCNCCC1CO1 2230a_100000106463_100000732470 [0,1,0,1,0,0|2,0,0]=4 25153 B11R1.99 CCSCCOCCC1CC1 34a_100000212035_100000694398 [0,1,0,1,0,0|0,0,0]=2 25154 B11R1.99 CCSCCOCCC1CC1 34a_100000754188_100000757381 [0,1,0,1,0,0|0,0,0]=2 25155 B11R1.99 CCSCCOCCC1CC1 7a_100000212035_100000764125 [0,1,0,1,0,0|0,0,0]=2 25156 B11R1.99 CCSCCOCCC1CC1 7a_100000754188_100000757381 [0,1,0,1,0,0|0,0,0]=2 25157 B11R1.99 CCSCCOCCC1CO1 34a_100000212035_100000732470 [0,1,0,1,0,0|1,0,0]=3 25158 B11R1.99 CCSCCOCCC1CO1 7a_100000212035_100000732470 [0,1,0,1,0,0|1,0,0]=3 25159 B11R1.99 CCSCCOCC[C@@H]1CO1 34a_100009820653_100000757381 [0,1,0,1,0,0|1,0,0]=3 25160 B11R1.99 CCSCCSCCC1CC1 62a_100000757381_100000764125 [0,1,0,1,0,0|0,1,0]=3 25161 B11R1.99 CCSCCSCCC1CC1 62a_100000764125_100000757381 [0,1,0,1,0,0|0,1,0]=3 25162 B11R1.99 CCSCCSCCC1CO1 62a_100000732470_100000757381 [0,1,0,1,0,0|1,1,0]=4 25163 B11R1.99 CCSCCSCCC1CO1 62a_100000757381_100000732470 [0,1,0,1,0,0|1,1,0]=4 25164 B11R1.99 CNCCCCCOC1CC1 34a_100000722520_100000211595 [0,1,0,1,0,0|2,0,0]=4 25165 B11R1.99 CNCCCOCCC1CC1 34a_100000213112_100000694398 [0,1,0,1,0,0|0,0,0]=2 25166 B11R1.99 CNCCCOCCC1CO1 34a_100000213112_100000732470 [0,1,0,1,0,0|1,0,0]=3 25167 B11R1.99 CNCCOCCOC1CC1 34a_100000228057_100000211595 [0,1,0,1,0,0|1,0,0]=3 25168 B11R1.99 COCCCCCNC1CC1 34a_100000747528_100000211595 [0,1,0,1,0,0|2,0,0]=4 25169 B11R1.99 COCCCCNCC1CC1 2230a_100000735609_100000730899 [0,1,0,1,0,0|1,0,0]=3 25170 B11R1.99 COCCCCNCC1CC1 34a_100000735609_100000755781 [0,1,0,1,0,0|1,0,0]=3 25171 B11R1.99 COCCCCOCC1CC1 34a_100000211283_100000755781 [0,1,0,1,0,0|0,0,0]=2 25172 B11R1.99 COCCCCOCC1CC1 34a_100000740925_100000742324 [0,1,0,1,0,0|0,0,0]=2 25173 B11R1.99 COCCCCOCC1CO1 34a_100000740925_102125554688 [0,1,0,1,0,0|1,0,0]=3 25174 B11R1.99 COCCCCOCC1CO1 34a_100010889290_200000210301 [0,1,0,1,0,0|1,0,0]=3 25175 B11R1.99 COCCCCOCC1CO1 7a_100010889290_200000210301 [0,1,0,1,0,0|1,0,0]=3 25176 B11R1.99 COCCCCOC[C@@H]1CO1 34a_100000757423_100000755781 [0,1,0,1,0,0|1,0,0]=3 25177 B11R1.99 COCCCCSCC1CC1 62a_100000730899_100000742324 [0,1,0,1,0,0|0,1,0]=3 25178 B11R1.99 COCCCCSCC1CC1 62a_100000756562_100000730899 [0,1,0,1,0,0|0,1,0]=3 25179 B11R1.99 COCCCCSCC1CO1 62a_100000730899_102125554688 [0,1,0,1,0,0|1,1,0]=4 25180 B11R1.99 COCCCCSCC1CO1 62a_102125554688_100000730899 [0,1,0,1,0,0|1,1,0]=4 25181 B11R1.99 COCCCCSCC1CS1 62a_100000031435_100000730899 [0,1,0,1,0,0|1,1,0]=4 25182 B11R1.99 COCCCCSCC1CS1 62a_100000730899_100000031435 [0,1,0,1,0,0|1,1,0]=4 25183 B11R1.99 COCCCCSC[C@@H]1CO1 62a_100000730899_100000745022 [0,1,0,1,0,0|1,1,0]=4 25184 B11R1.99 COCCCCSC[C@@H]1CO1 62a_100000745022_100000730899 [0,1,0,1,0,0|1,1,0]=4 25185 B11R1.99 COCCCNCCC1CC1 34a_100000764129_100000740836 [0,1,0,1,0,0|1,0,0]=3 25186 B11R1.99 COCCCNCCC1CC1 34a_100150723488_100000694398 [0,1,0,1,0,0|1,0,0]=3 25187 B11R1.99 COCCCNCCC1CO1 34a_100150723488_100000732470 [0,1,0,1,0,0|2,0,0]=4 25188 B11R1.99 COCCCOCCC1CC1 34a_100000740835_100000694398 [0,1,0,1,0,0|0,0,0]=2 25189 B11R1.99 COCCCOCCC1CC1 34a_100000754188_100000740836 [0,1,0,1,0,0|0,0,0]=2 25190 B11R1.99 COCCCOCCC1CC1 7a_100000754188_100000740836 [0,1,0,1,0,0|0,0,0]=2 25191 B11R1.99 COCCCOCCC1CO1 34a_100000740835_100000732470 [0,1,0,1,0,0|1,0,0]=3 25192 B11R1.99 COCCCOCC[C@@H]1CO1 34a_100009820653_100000740836 [0,1,0,1,0,0|1,0,0]=3 25193 B11R1.99 COCCCSCCC1CC1 62a_100000709357_100000764125 [0,1,0,1,0,0|0,1,0]=3 25194 B11R1.99 COCCCSCCC1CC1 62a_100000764125_100000709357 [0,1,0,1,0,0|0,1,0]=3 25195 B11R1.99 COCCCSCCC1CO1 62a_100000709357_100000732470 [0,1,0,1,0,0|1,1,0]=4 25196 B11R1.99 COCCCSCCC1CO1 62a_100000732470_100000709357 [0,1,0,1,0,0|1,1,0]=4 25197 B11R1.99 COCCNCCCC1CO1 2230a_100000209980_100000733510 [0,1,0,1,0,0|2,0,0]=4 25198 B11R1.99 COCCOCC#CC1CC1 34a_100000083941_100011201679 [0,1,0,1,0,0|1,0,1]=4 25199 B11R1.99 COCCOCC#CC1CC1 34a_100000210237_100009895102 [0,1,0,1,0,0|1,0,1]=4 25200 B11R1.99 COCCOCC#CC1CC1 7a_100000083941_100000233755 [0,1,0,1,0,0|1,0,1]=4 25201 B11R1.99 COCCOCCCC1CO1 34a_100000210237_100000733510 [0,1,0,1,0,0|1,0,0]=3 25202 B11R1.99 COCCOCCNC1CC1 34a_100000212008_100000695917 [0,1,0,1,0,0|1,0,0]=3 25203 B11R1.99 COCCOCCNC1CC1 34a_100000738766_100011201679 [0,1,0,1,0,0|1,0,0]=3 25204 B11R1.99 COCCOCCNC1CC1 34a_100000745349_100000211595 [0,1,0,1,0,0|1,0,0]=3 25205 B11R1.99 COCCOCCOC1CC1 34a_100011215163_100000211595 [0,1,0,1,0,0|1,0,0]=3 25206 B11R1.99 COCCOCCSC1CC1 62a_100000695917_100000211595 [0,1,0,1,0,0|1,0,0]=3 25207 B11R1.99 COCCOCNCC1CC1 2230a_100000735609_100000231047 [0,1,0,1,0,0|1,0,0]=3 25208 B11R1.99 COCCOCSCC1CC1 62a_100000231047_100000742324 [0,1,0,1,0,0|1,0,0]=3 25209 B11R1.99 COCCOCSCC1CC1 62a_100000756562_100000231047 [0,1,0,1,0,0|1,0,0]=3 25210 B11R1.99 COCCOCSCC1CO1 62a_100000231047_102125554688 [0,1,0,1,0,0|2,0,0]=4 25211 B11R1.99 COCCOCSCC1CO1 62a_102125554688_100000231047 [0,1,0,1,0,0|2,0,0]=4 25212 B11R1.99 COCCOCSCC1CS1 62a_100000031435_100000231047 [0,1,0,1,0,0|2,0,0]=4 25213 B11R1.99 COCCOCSCC1CS1 62a_100000231047_100000031435 [0,1,0,1,0,0|2,0,0]=4 25214 B11R1.99 COCCOCSC[C@@H]1CO1 62a_100000231047_100000745022 [0,1,0,1,0,0|2,0,0]=4 25215 B11R1.99 COCCOCSC[C@@H]1CO1 62a_100000745022_100000231047 [0,1,0,1,0,0|2,0,0]=4 25216 B11R1.99 COCCSCCCC1CO1 62a_100000233755_100000733510 [0,1,0,1,0,0|1,1,0]=4 25217 B11R1.99 COCCSCCCC1CO1 62a_100000733510_100000233755 [0,1,0,1,0,0|1,1,0]=4 25218 B11R1.99 CSCCCCOCC1CC1 34a_100011217163_100000742324 [0,1,0,1,0,0|0,0,0]=2 25219 B11R1.99 CSCCCCOCC1CC1 7a_100011217163_100000742324 [0,1,0,1,0,0|0,0,0]=2 25220 B11R1.99 CSCCCCOCC1CO1 34a_100011217163_102125554688 [0,1,0,1,0,0|1,0,0]=3 25221 B11R1.99 CSCCCCOCC1CO1 7a_100011217163_102125554688 [0,1,0,1,0,0|1,0,0]=3 25222 B11R1.99 CSCCCCOCC1CS1 7a_100011217163_100000031435 [0,1,0,1,0,0|1,0,0]=3 25223 B11R1.99 CSCCCCOC[C@@H]1CO1 7a_100011217163_100000745022 [0,1,0,1,0,0|1,0,0]=3 25224 B11R1.99 CSCCCNCCC1CC1 2230a_100000749238_100000694398 [0,1,0,1,0,0|1,0,0]=3 25225 B11R1.99 CSCCCNCCC1CO1 2230a_100000749238_100000732470 [0,1,0,1,0,0|2,0,0]=4 25226 B11R1.99 CSCCCOCCC1CC1 34a_100000690336_100000694398 [0,1,0,1,0,0|0,0,0]=2 25227 B11R1.99 CSCCCOCCC1CC1 7a_100000690336_100000764125 [0,1,0,1,0,0|0,0,0]=2 25228 B11R1.99 CSCCCOCCC1CO1 34a_100000690336_100000732470 [0,1,0,1,0,0|1,0,0]=3 25229 B11R1.99 CSCCCOCCC1CO1 7a_100000690336_100000732470 [0,1,0,1,0,0|1,0,0]=3 25230 B11R1.99 CSCCNCCCC1CO1 2230a_100020590264_100000733510 [0,1,0,1,0,0|2,0,0]=4 25231 B11R1.99 CSCCOCC#CC1CC1 34a_100000083941_100000212216 [0,1,0,1,0,0|1,0,1]=4 25232 B11R1.99 CSCCOCC#CC1CC1 34a_100000230434_100009895102 [0,1,0,1,0,0|1,0,1]=4 25233 B11R1.99 CSCCOCC#CC1CC1 7a_100000083941_100000212216 [0,1,0,1,0,0|1,0,1]=4 25234 B11R1.99 CSCCOCC#CC1CC1 7a_100000230434_100009895102 [0,1,0,1,0,0|1,0,1]=4 25235 B11R1.99 CSCCOCCCC1CO1 34a_100000230434_100000733510 [0,1,0,1,0,0|1,0,0]=3 25236 B11R1.99 CSCCOCCCC1CO1 7a_100000230434_100000733510 [0,1,0,1,0,0|1,0,0]=3 25237 B11R1.99 CSCCOCCNC1CC1 34a_100000738766_100000212216 [0,1,0,1,0,0|1,0,0]=3 25238 B11R1.99 CSCCSCCCC1CO1 62a_100000212216_100000733510 [0,1,0,1,0,0|1,1,0]=4 25239 B11R1.99 CSCCSCCCC1CO1 62a_100000733510_100000751147 [0,1,0,1,0,0|1,1,0]=4 25240 B11R1.99 ClCC#CCOCCC1CC1 34a_200000047223_100000694398 [0,1,0,1,0,0|0,0,2]=4 25241 B11R1.99 ClCCCCCCOC1CC1 34a_100000766143_100000211595 [0,1,0,1,0,0|2,0,0]=4 25242 B11R1.99 ClCCCCCOCC1CC1 34a_100000746330_100000742324 [0,1,0,1,0,0|0,0,0]=2 25243 B11R1.99 ClCCCCCOCC1CC1 7a_100000746330_100000742324 [0,1,0,1,0,0|0,0,0]=2 25244 B11R1.99 ClCCCCCOCC1CO1 34a_100000746330_102125554688 [0,1,0,1,0,0|1,0,0]=3 25245 B11R1.99 ClCCCCCOCC1CO1 7a_100000746330_102125554688 [0,1,0,1,0,0|1,0,0]=3 25246 B11R1.99 ClCCCCCOCC1CS1 7a_100000746330_100000031435 [0,1,0,1,0,0|1,0,0]=3 25247 B11R1.99 ClCCCCCOC[C@@H]1CO1 7a_100000746330_100000745022 [0,1,0,1,0,0|1,0,0]=3 25248 B11R1.99 ClCCCCOCCC1CC1 34a_100000210776_100000694398 [0,1,0,1,0,0|0,0,0]=2 25249 B11R1.99 ClCCCCOCCC1CC1 7a_100000210776_100000764125 [0,1,0,1,0,0|0,0,0]=2 25250 B11R1.99 ClCCCCOCCC1CO1 34a_100000210776_100000732470 [0,1,0,1,0,0|1,0,0]=3 25251 B11R1.99 ClCCCCOCCC1CO1 7a_100000210776_100000732470 [0,1,0,1,0,0|1,0,0]=3 25252 B11R1.99 ClCCCOCC#CC1CC1 34a_100000230001_100009895102 [0,1,0,1,0,0|1,0,1]=4 25253 B11R1.99 ClCCCOCCCC1CO1 34a_100000230001_100000733510 [0,1,0,1,0,0|1,0,0]=3 25254 B11R1.99 ClCCOCCOCC1CC1 34a_100011215305_100000742324 [0,1,0,1,0,0|1,0,0]=3 25255 B11R1.99 ClCCOCCOCC1CC1 7a_100011215305_100000742324 [0,1,0,1,0,0|1,0,0]=3 25256 B11R1.99 ClCCOCCOCC1CO1 34a_100011215305_102125554688 [0,1,0,1,0,0|2,0,0]=4 25257 B11R1.99 ClCCOCCOCC1CO1 7a_100011215305_102125554688 [0,1,0,1,0,0|2,0,0]=4 25258 B11R1.99 ClCCOCCOCC1CS1 7a_100011215305_100000031435 [0,1,0,1,0,0|2,0,0]=4 25259 B11R1.99 ClCCOCCOC[C@@H]1CO1 7a_100011215305_100000745022 [0,1,0,1,0,0|2,0,0]=4 25260 B11R1.99 FCCCCCCNC1CC1 34a_100000212008_100015922095 [0,1,0,1,0,0|2,0,0]=4 25261 B11R1.99 FCCCCCCOC1CC1 34a_100000732779_100000211595 [0,1,0,1,0,0|2,0,0]=4 25262 B11R1.99 FCCCCCCSC1CC1 62a_100015922095_100000211595 [0,1,0,1,0,0|2,0,0]=4 25263 B11R1.99 FCCCCCNCC1CC1 2230a_100000735609_100000729378 [0,1,0,1,0,0|1,0,0]=3 25264 B11R1.99 FCCCCCNCC1CC1 34a_100000735609_100000729378 [0,1,0,1,0,0|1,0,0]=3 25265 B11R1.99 FCCCCCOCC1CC1 34a_100000211283_100000729378 [0,1,0,1,0,0|0,0,0]=2 25266 B11R1.99 FCCCCCOC[C@@H]1CO1 34a_100000757423_100000729378 [0,1,0,1,0,0|1,0,0]=3 25267 B11R1.99 FCCCCCSCC1CC1 62a_100000729378_100000742324 [0,1,0,1,0,0|0,1,0]=3 25268 B11R1.99 FCCCCCSCC1CC1 62a_100000756562_100000729378 [0,1,0,1,0,0|0,1,0]=3 25269 B11R1.99 FCCCCCSCC1CO1 62a_100000729378_102125554688 [0,1,0,1,0,0|1,1,0]=4 25270 B11R1.99 FCCCCCSCC1CO1 62a_102125554688_100000729378 [0,1,0,1,0,0|1,1,0]=4 25271 B11R1.99 FCCCCCSCC1CS1 62a_100000031435_100000729378 [0,1,0,1,0,0|1,1,0]=4 25272 B11R1.99 FCCCCCSCC1CS1 62a_100000729378_100000031435 [0,1,0,1,0,0|1,1,0]=4 25273 B11R1.99 FCCCCCSC[C@@H]1CO1 62a_100000729378_100000745022 [0,1,0,1,0,0|1,1,0]=4 25274 B11R1.99 FCCCCCSC[C@@H]1CO1 62a_100000745022_100000729378 [0,1,0,1,0,0|1,1,0]=4 25275 B11R1.99 FCCCCNCCC1CC1 34a_100000764129_100000729493 [0,1,0,1,0,0|1,0,0]=3 25276 B11R1.99 FCCCCOCCC1CC1 34a_100000754188_100000729493 [0,1,0,1,0,0|0,0,0]=2 25277 B11R1.99 FCCCCOCCC1CC1 34a_100011995726_100000694398 [0,1,0,1,0,0|0,0,0]=2 25278 B11R1.99 FCCCCOCCC1CC1 7a_100000754188_100000729493 [0,1,0,1,0,0|0,0,0]=2 25279 B11R1.99 FCCCCOCCC1CC1 7a_100011995726_100000764125 [0,1,0,1,0,0|0,0,0]=2 25280 B11R1.99 FCCCCOCCC1CO1 34a_100011995726_100000732470 [0,1,0,1,0,0|1,0,0]=3 25281 B11R1.99 FCCCCOCCC1CO1 7a_100011995726_100000732470 [0,1,0,1,0,0|1,0,0]=3 25282 B11R1.99 FCCCCOCC[C@@H]1CO1 34a_100009820653_100000729493 [0,1,0,1,0,0|1,0,0]=3 25283 B11R1.99 FCCCCSCCC1CC1 62a_100000729493_100000764125 [0,1,0,1,0,0|0,1,0]=3 25284 B11R1.99 FCCCCSCCC1CC1 62a_100000764125_100000729493 [0,1,0,1,0,0|0,1,0]=3 25285 B11R1.99 FCCCCSCCC1CO1 62a_100000729493_100000732470 [0,1,0,1,0,0|1,1,0]=4 25286 B11R1.99 FCCCCSCCC1CO1 62a_100000732470_100000729493 [0,1,0,1,0,0|1,1,0]=4 25287 B11R1.99 FCCCNCCCC1CO1 2230a_100015189416_100000733510 [0,1,0,1,0,0|2,0,0]=4 25288 B11R1.99 FCCCNCCCC1CO1 34a_100015189416_100000733510 [0,1,0,1,0,0|2,0,0]=4 25289 B11R1.99 FCCCOCC#CC1CC1 34a_100000083941_100011934791 [0,1,0,1,0,0|1,0,1]=4 25290 B11R1.99 FCCCOCC#CC1CC1 34a_100000759539_100009895102 [0,1,0,1,0,0|1,0,1]=4 25291 B11R1.99 FCCCOCC#CC1CC1 7a_100000083941_100011934791 [0,1,0,1,0,0|1,0,1]=4 25292 B11R1.99 FCCCOCCCC1CO1 34a_100000759539_100000733510 [0,1,0,1,0,0|1,0,0]=3 25293 B11R1.99 FCCCOCCNC1CC1 34a_100000738766_100011934791 [0,1,0,1,0,0|1,0,0]=3 25294 B11R1.99 FCCCSCCCC1CO1 62a_100000733510_100011934791 [0,1,0,1,0,0|1,1,0]=4 25295 B11R1.99 FCCCSCCCC1CO1 62a_100011934791_100000733510 [0,1,0,1,0,0|1,1,0]=4 25296 B11R1.99 FCCOCCOCC1CC1 34a_200015357709_100000742324 [0,1,0,1,0,0|1,0,0]=3 25297 B11R1.99 FCCOCCOCC1CC1 7a_200015357709_100000742324 [0,1,0,1,0,0|1,0,0]=3 25298 B11R1.99 FCCOCCOCC1CO1 34a_200015357709_102125554688 [0,1,0,1,0,0|2,0,0]=4 25299 B11R1.99 FCCOCCOCC1CO1 7a_200015357709_102125554688 [0,1,0,1,0,0|2,0,0]=4 25300 B11R1.99 FCCOCCOCC1CS1 7a_200015357709_100000031435 [0,1,0,1,0,0|2,0,0]=4 25301 B11R1.99 FCCOCCOC[C@@H]1CO1 7a_200015357709_100000745022 [0,1,0,1,0,0|2,0,0]=4 25302 B11R1.99 ICCCCCOCC1CC1 34a_200012148887_100000742324 [0,1,0,1,0,0|0,0,0]=2 25303 B11R1.99 ICCCCCOCC1CC1 7a_200012148887_100000742324 [0,1,0,1,0,0|0,0,0]=2 25304 B11R1.99 ICCCCCOCC1CO1 34a_200012148887_102125554688 [0,1,0,1,0,0|1,0,0]=3 25305 B11R1.99 ICCCCCOCC1CO1 7a_200012148887_102125554688 [0,1,0,1,0,0|1,0,0]=3 25306 B11R1.99 ICCCCCOCC1CS1 7a_200012148887_100000031435 [0,1,0,1,0,0|1,0,0]=3 25307 B11R1.99 ICCCCCOC[C@@H]1CO1 7a_200012148887_100000745022 [0,1,0,1,0,0|1,0,0]=3 25308 B11R1.99 ICCCCOCCC1CC1 34a_200012148704_100000694398 [0,1,0,1,0,0|0,0,0]=2 25309 B11R1.99 ICCCCOCCC1CO1 34a_200012148704_100000732470 [0,1,0,1,0,0|1,0,0]=3 25310 B11R1.99 ICCOCCOCC1CC1 34a_100012149058_100000742324 [0,1,0,1,0,0|1,0,0]=3 25311 B11R1.99 ICCOCCOCC1CC1 7a_100012149058_100000742324 [0,1,0,1,0,0|1,0,0]=3 25312 B11R1.99 ICCOCCOCC1CO1 34a_100012149058_102125554688 [0,1,0,1,0,0|2,0,0]=4 25313 B11R1.99 ICCOCCOCC1CO1 7a_100012149058_102125554688 [0,1,0,1,0,0|2,0,0]=4 25314 B11R1.99 ICCOCCOCC1CS1 7a_100012149058_100000031435 [0,1,0,1,0,0|2,0,0]=4 25315 B11R1.99 ICCOCCOC[C@@H]1CO1 7a_100012149058_100000745022 [0,1,0,1,0,0|2,0,0]=4 25316 B11R1.99 N#CCCCCNCC1CC1 2230a_100000735609_100000211819 [0,1,0,1,0,0|1,0,1]=4 25317 B11R1.99 N#CCCCCSCC1CC1 62a_100000756562_100000211819 [0,1,0,1,0,0|0,1,1]=4 25318 B11R1.99 N#CCCCCSCC1CC1 62a_100011219923_100000742324 [0,1,0,1,0,0|0,1,1]=4 25319 B11R1.99 N#CCCCOCCC1CC1 7a_100000754188_100000687738 [0,1,0,1,0,0|0,0,1]=3 25320 B11R1.99 N#CCCCSCCC1CC1 62a_100000687738_100000764125 [0,1,0,1,0,0|0,1,1]=4 25321 B11R1.99 N#CCCCSCCC1CC1 62a_100000764125_100000687738 [0,1,0,1,0,0|0,1,1]=4 25322 B11R1.99 NCCCCCCOC1CC1 34a_100000686447_100000211595 [0,1,0,1,0,0|2,0,0]=4 25323 B11R1.99 NCCCCCOCC1CC1 34a_100000762737_100000742324 [0,1,0,1,0,0|0,0,0]=2 25324 B11R1.99 NCCCCCOCC1CO1 34a_100000762737_102125554688 [0,1,0,1,0,0|1,0,0]=3 25325 B11R1.99 NCCCCOCCC1CC1 34a_100000750430_100000694398 [0,1,0,1,0,0|0,0,0]=2 25326 B11R1.99 NCCCCOCCC1CO1 34a_100000750430_100000732470 [0,1,0,1,0,0|1,0,0]=3 25327 B11R1.99 NCCCOCC#CC1CC1 34a_100000182051_100009895102 [0,1,0,1,0,0|1,0,1]=4 25328 B11R1.99 NCCCOCCCC1CO1 34a_100000182051_100000733510 [0,1,0,1,0,0|1,0,0]=3 25329 B11R1.99 NCCOCCOCC1CC1 34a_100000211614_100000742324 [0,1,0,1,0,0|1,0,0]=3 25330 B11R1.99 NCCOCCOCC1CO1 34a_100000211614_102125554688 [0,1,0,1,0,0|2,0,0]=4 25331 B11R1.99 NOCCOCCCC1CO1 34a_100000700252_100000733510 [0,1,0,1,0,0|2,0,0]=4 25332 B11R1.99 O=CCCCCNCC1CC1 2230a_100000735609_100000139335 [0,1,0,1,0,0|1,0,1]=4 25333 B11R1.99 O=CCCCCSCC1CC1 62a_100000139335_100000742324 [0,1,0,1,0,0|0,1,1]=4 25334 B11R1.99 O=CCCCCSCC1CC1 62a_100000756562_100000139335 [0,1,0,1,0,0|0,1,1]=4 25335 B11R1.99 O=CCCCOCCC1CC1 7a_100000754188_200011292268 [0,1,0,1,0,0|0,0,1]=3 25336 B11R1.99 O=CCCCSCCC1CC1 62a_100000764125_200011292268 [0,1,0,1,0,0|0,1,1]=4 25337 B11R1.99 O=CCCCSCCC1CC1 62a_200011292268_100000764125 [0,1,0,1,0,0|0,1,1]=4 25338 B11R1.99 OCC#CCOCCC1CC1 34a_100000754188_200000047223 [0,1,0,1,0,0|0,0,2]=4 25339 B11R1.99 OCC#CCOCCC1CC1 7a_100000754188_200000047223 [0,1,0,1,0,0|0,0,2]=4 25340 B11R1.99 OCCCCCCNC1CC1 34a_100000212008_100000766143 [0,1,0,1,0,0|2,0,0]=4 25341 B11R1.99 OCCCCCCNC1CC1 34a_100000686447_100000211595 [0,1,0,1,0,0|2,0,0]=4 25342 B11R1.99 OCCCCCCSC1CC1 62a_100000766143_100000211595 [0,1,0,1,0,0|2,0,0]=4 25343 B11R1.99 OCCCCCNCC1CC1 2230a_100000735609_100000746330 [0,1,0,1,0,0|1,0,0]=3 25344 B11R1.99 OCCCCCNCC1CC1 2230a_100000762737_100000742324 [0,1,0,1,0,0|1,0,0]=3 25345 B11R1.99 OCCCCCNCC1CC1 269862a_100000762737_100000741477 [0,1,0,1,0,0|1,0,0]=3 25346 B11R1.99 OCCCCCNCC1CC1 34a_100000735609_100000746330 [0,1,0,1,0,0|1,0,0]=3 25347 B11R1.99 OCCCCCNCC1CC1 34a_100000762737_100000742324 [0,1,0,1,0,0|1,0,0]=3 25348 B11R1.99 OCCCCCNCC1CO1 2230a_100000762737_100011216344 [0,1,0,1,0,0|2,0,0]=4 25349 B11R1.99 OCCCCCNCC1CO1 34a_100000762737_102125554688 [0,1,0,1,0,0|2,0,0]=4 25350 B11R1.99 OCCCCCOCC1CC1 34a_100000211283_100000746330 [0,1,0,1,0,0|0,0,0]=2 25351 B11R1.99 OCCCCCOC[C@@H]1CO1 34a_100000757423_100000746330 [0,1,0,1,0,0|1,0,0]=3 25352 B11R1.99 OCCCCCSCC1CC1 62a_100000746330_100000742324 [0,1,0,1,0,0|0,1,0]=3 25353 B11R1.99 OCCCCCSCC1CC1 62a_100000756562_100000746330 [0,1,0,1,0,0|0,1,0]=3 25354 B11R1.99 OCCCCCSCC1CO1 62a_100000746330_102125554688 [0,1,0,1,0,0|1,1,0]=4 25355 B11R1.99 OCCCCCSCC1CO1 62a_102125554688_100000746330 [0,1,0,1,0,0|1,1,0]=4 25356 B11R1.99 OCCCCCSCC1CS1 62a_100000031435_100000746330 [0,1,0,1,0,0|1,1,0]=4 25357 B11R1.99 OCCCCCSCC1CS1 62a_100000746330_100000031435 [0,1,0,1,0,0|1,1,0]=4 25358 B11R1.99 OCCCCCSC[C@@H]1CO1 62a_100000745022_100000746330 [0,1,0,1,0,0|1,1,0]=4 25359 B11R1.99 OCCCCCSC[C@@H]1CO1 62a_100000746330_100000745022 [0,1,0,1,0,0|1,1,0]=4 25360 B11R1.99 OCCCCNCCC1CC1 2230a_100000750430_100000694398 [0,1,0,1,0,0|1,0,0]=3 25361 B11R1.99 OCCCCNCCC1CC1 34a_100000750430_100000694398 [0,1,0,1,0,0|1,0,0]=3 25362 B11R1.99 OCCCCNCCC1CC1 34a_100000764129_100011216708 [0,1,0,1,0,0|1,0,0]=3 25363 B11R1.99 OCCCCNCCC1CO1 2230a_100000750430_100000732470 [0,1,0,1,0,0|2,0,0]=4 25364 B11R1.99 OCCCCNCCC1CO1 34a_100000750430_100000732470 [0,1,0,1,0,0|2,0,0]=4 25365 B11R1.99 OCCCCOCCC1CC1 34a_100000754188_100011216708 [0,1,0,1,0,0|0,0,0]=2 25366 B11R1.99 OCCCCOCCC1CC1 7a_100000754188_100000210776 [0,1,0,1,0,0|0,0,0]=2 25367 B11R1.99 OCCCCOCC[C@@H]1CO1 34a_100009820653_100011216708 [0,1,0,1,0,0|1,0,0]=3 25368 B11R1.99 OCCCCSCCC1CC1 62a_100000210776_100000764125 [0,1,0,1,0,0|0,1,0]=3 25369 B11R1.99 OCCCCSCCC1CC1 62a_100000764125_100000210776 [0,1,0,1,0,0|0,1,0]=3 25370 B11R1.99 OCCCCSCCC1CO1 62a_100000210776_100000732470 [0,1,0,1,0,0|1,1,0]=4 25371 B11R1.99 OCCCCSCCC1CO1 62a_100000732470_100000210776 [0,1,0,1,0,0|1,1,0]=4 25372 B11R1.99 OCCCOCC#CC1CC1 34a_100000083941_100000230001 [0,1,0,1,0,0|1,0,1]=4 25373 B11R1.99 OCCCOCC#CC1CC1 7a_100000083941_100011215043 [0,1,0,1,0,0|1,0,1]=4 25374 B11R1.99 OCCCOCCNC1CC1 34a_100000738766_100000230001 [0,1,0,1,0,0|1,0,0]=3 25375 B11R1.99 OCCCSCCCC1CO1 62a_100000733510_100011215043 [0,1,0,1,0,0|1,1,0]=4 25376 B11R1.99 OCCCSCCCC1CO1 62a_100011215043_100000733510 [0,1,0,1,0,0|1,1,0]=4 25377 B11R1.99 OCCOCCNCC1CC1 2230a_100000211614_100000742324 [0,1,0,1,0,0|2,0,0]=4 25378 B11R1.99 OCCOCCNCC1CC1 2230a_100000735609_100011215305 [0,1,0,1,0,0|2,0,0]=4 25379 B11R1.99 OCCOCCNCC1CC1 269862a_100000211614_100000741477 [0,1,0,1,0,0|2,0,0]=4 25380 B11R1.99 OCCOCCNCC1CC1 34a_100000211614_100000742324 [0,1,0,1,0,0|2,0,0]=4 25381 B11R1.99 OCCOCCNCC1CC1 34a_100000735609_100000692535 [0,1,0,1,0,0|2,0,0]=4 25382 B11R1.99 OCCOCCOCC1CC1 34a_100000211283_100000692535 [0,1,0,1,0,0|1,0,0]=3 25383 B11R1.99 OCCOCCOC[C@@H]1CO1 34a_100000757423_100000692535 [0,1,0,1,0,0|2,0,0]=4 25384 B11R1.99 OCCOCCSCC1CC1 62a_100000756562_100011215305 [0,1,0,1,0,0|1,1,0]=4 25385 B11R1.99 OCCOCCSCC1CC1 62a_100011215305_100000742324 [0,1,0,1,0,0|1,1,0]=4 25386 B11R1.99 OCCSCCNCC1CC1 2230a_100011219999_100000742324 [0,1,0,1,0,0|2,0,0]=4 25387 B11R1.99 OCCSCCNCC1CC1 269862a_100011219999_100000741477 [0,1,0,1,0,0|2,0,0]=4 25388 B11R1.99 [13CH3]OCCCCOCC1CO1 34a_100010889290_200025704644 [0,1,0,1,0,0|1,0,0]=3 25389 B11R1.99 [13CH3]OCCCCOCC1CO1 7a_100010889290_200025704644 [0,1,0,1,0,0|1,0,0]=3 25390 B11R1.102 C=C(C)CCOCC1CC1C 34a_100000744939_100000730704 [0,1,0,1,0,0|0,0,1]=3 25391 B11R1.102 C=C(C)CCOCC1CC1C 7a_100000744939_100000730704 [0,1,0,1,0,0|0,0,1]=3 25392 B11R1.102 CC(=CCOCC1CC1C)C 34a_100000744939_100000761012 [0,1,0,1,0,0|0,0,2]=4 25393 B11R1.102 CC(=CCOCC1CC1C)C 7a_100000744939_100000761012 [0,1,0,1,0,0|0,0,2]=4 25394 B11R1.102 CC(=O)CCOCC1CC1C 7a_100000744939_100000053229 [0,1,0,1,0,0|0,0,1]=3 25395 B11R1.102 CC(=O)OCOCC1CC1C 34a_100000744939_100009813279 [0,1,0,1,0,0|1,0,1]=4 25396 B11R1.102 CC(C)CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011214892 [0,1,0,1,0,0|2,0,0]=4 25397 B11R1.102 CC(C)CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011214892 [0,1,0,1,0,0|2,0,0]=4 25398 B11R1.102 CC(C)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100011214892 [0,1,0,1,0,0|2,0,0]=4 25399 B11R1.102 CC(C)CCOCC1CC1C 34a_100000744939_100000210312 [0,1,0,1,0,0|0,0,0]=2 25400 B11R1.102 CC(C)CCOCC1CC1C 7a_100000744939_100000210626 [0,1,0,1,0,0|0,0,0]=2 25401 B11R1.102 CC(C)OCOCC1CC1C 34a_100000744939_100000709892 [0,1,0,1,0,0|1,0,0]=3 25402 B11R1.102 CC(O)CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_200000718107 [0,1,0,1,0,0|2,0,0]=4 25403 B11R1.102 CC(O)CCCN[C@@H]1C[C@H]1F 2230a_100025746932_200000718107 [0,1,0,1,0,0|2,0,0]=4 25404 B11R1.102 CC(O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_200000718107 [0,1,0,1,0,0|2,0,0]=4 25405 B11R1.102 CC(O)CCOCC1CC1C 34a_100000744939_100012276601 [0,1,0,1,0,0|0,0,0]=2 25406 B11R1.102 CC(O)CCOCC1CC1C 7a_100000744939_100012276601 [0,1,0,1,0,0|0,0,0]=2 25407 B11R1.102 CC1CC1COCCC(=O)N 34a_100000744939_100000731001 [0,1,0,1,0,0|1,0,1]=4 25408 B11R1.102 CC1CC1COCCC(=O)N 7a_100000744939_100000744528 [0,1,0,1,0,0|1,0,1]=4 25409 B11R1.102 CC1CC1COCCN(C)C 7a_100000744939_100000755713 [0,1,0,1,0,0|1,0,0]=3 25410 B11R1.143 CC(C)C1CCCCCN1C 2230a_100000697956_200000210301 [0,1,0,1,0,0|2,0,0]=4 25411 B11R1.143 CC(C)C1CCCCCN1C 269982a_100000697956_200000210301 [0,1,0,1,0,0|2,0,0]=4 25412 B11R1.143 CC(C)C1CCCCCN1C 34a_100000697956_200000210301 [0,1,0,1,0,0|2,0,0]=4 25413 B11R1.143 CC(C)C1CCCCCN1[13CH3] 2230a_100000697956_200025704644 [0,1,0,1,0,0|2,0,0]=4 25414 B11R1.143 CC(C)C1CCCCCN1[13CH3] 269982a_100000697956_200025704644 [0,1,0,1,0,0|2,0,0]=4 25415 B11R1.143 CC(C)C1CCCCCN1[13CH3] 34a_100000697956_200025704644 [0,1,0,1,0,0|2,0,0]=4 25416 B11R1.161 CC(=O)CCCN1CCC1C 269982a_100000755817_100011215641 [0,1,0,1,0,0|1,0,1]=4 25417 B11R1.161 CC(=O)CCCN1CCC1C 34a_100000755817_100000685027 [0,1,0,1,0,0|1,0,1]=4 25418 B11R1.161 CC(Br)CCOC1CCC1=O 34a_100009893172_100009892977 [0,1,0,1,0,0|1,0,1]=4 25419 B11R1.161 CC(C)CCCN1CCC1C 269982a_100000755817_100011214892 [0,1,0,1,0,0|1,0,0]=3 25420 B11R1.161 CC(C)CCCN1CCC1C 34a_100000755817_100011214892 [0,1,0,1,0,0|1,0,0]=3 25421 B11R1.161 CC(C)CCOC1CCC1=O 34a_100000210254_100009892977 [0,1,0,1,0,0|1,0,1]=4 25422 B11R1.161 CC(C)CCOC1CCC1=O 7a_100000210254_100009892977 [0,1,0,1,0,0|1,0,1]=4 25423 B11R1.161 CC(C)OCCN1CCC1C 269982a_100000755817_100000211751 [0,1,0,1,0,0|2,0,0]=4 25424 B11R1.161 CC(C)OCCN1CCC1C 34a_100000755817_100000211751 [0,1,0,1,0,0|2,0,0]=4 25425 B11R1.161 CC(C)SCCN1CCC1C 269982a_100000755817_100000730970 [0,1,0,1,0,0|2,0,0]=4 25426 B11R1.161 CC(C)SCCN1CCC1C 34a_100000755817_100000730970 [0,1,0,1,0,0|2,0,0]=4 25427 B11R1.161 CC(O)CCCN1CCC1C 269982a_100000755817_200000718107 [0,1,0,1,0,0|1,0,0]=3 25428 B11R1.161 CC(O)CCCN1CCC1C 34a_100000755817_200000718107 [0,1,0,1,0,0|1,0,0]=3 25429 B11R1.161 CC1CCN1CCCN(C)C 269982a_100000755817_100000757444 [0,1,0,1,0,0|2,0,0]=4 25430 B11R1.161 C[C@@H](N)CCOC1CCC1=O 34a_100000706166_100009892977 [0,1,0,1,0,0|1,0,1]=4 25431 B11R1.172 C=C(Br)CCOC1CCCC1 34a_100009813270_100000179811 [0,1,0,1,0,0|0,0,2]=4 25432 B11R1.172 C=C(C)CCNC1CCCC1 2230a_100000211070_100000730704 [0,1,0,1,0,0|1,0,1]=4 25433 B11R1.172 C=C(C)CCNC1CCCC1 34a_100000211070_100000730704 [0,1,0,1,0,0|1,0,1]=4 25434 B11R1.172 C=C(C)CCOC1CCCC1 34a_100000210269_100000730704 [0,1,0,1,0,0|0,0,1]=3 25435 B11R1.172 C=C(C)CCOC1CCCC1 34a_100000764851_100000179811 [0,1,0,1,0,0|0,0,1]=3 25436 B11R1.172 C=C(C)CCOC1CCCC1 7a_100000210269_100000730704 [0,1,0,1,0,0|0,0,1]=3 25437 B11R1.172 C=C(C)CCOC1CCCO1 34a_100000085407_100000730704 [0,1,0,1,0,0|1,0,1]=4 25438 B11R1.172 C=C(C)CCOC1CCOC1 34a_100000764851_100000690089 [0,1,0,1,0,0|1,0,1]=4 25439 B11R1.172 C=C(C)CCOC1CCSC1 7a_100011232664_100000730704 [0,1,0,1,0,0|1,0,1]=4 25440 B11R1.172 C=C(C)CCO[C@H]1CCOC1 34a_100000717292_100000730704 [0,1,0,1,0,0|1,0,1]=4 25441 B11R1.172 C=C(C)CCSC1CCCC1 62a_100000730704_100000179811 [0,1,0,1,0,0|0,1,1]=4 25442 B11R1.172 C=C(C)CCSC1CCCC1 62a_100011217020_100000730704 [0,1,0,1,0,0|0,1,1]=4 25443 B11R1.172 CC(=CCOC1CCCC1)C 34a_100000210269_100000761012 [0,1,0,1,0,0|0,0,2]=4 25444 B11R1.172 CC(=CCOC1CCCC1)C 34a_100000753907_100000179811 [0,1,0,1,0,0|0,0,2]=4 25445 B11R1.172 CC(=CCOC1CCCC1)C 7a_100000210269_100000761012 [0,1,0,1,0,0|0,0,2]=4 25446 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [0,1,0,1,0,0|1,0,1]=4 25447 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000070787_100011445909 [0,1,0,1,0,0|1,0,1]=4 25448 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000743284_200000210301 [0,1,0,1,0,0|1,0,1]=4 25449 B11R1.172 CC(=O)CCCN1CCCC1 269982a_100000188435_100011215641 [0,1,0,1,0,0|1,0,1]=4 25450 B11R1.172 CC(=O)CCOC1CCCC1 34a_100000759926_100000179811 [0,1,0,1,0,0|0,0,1]=3 25451 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000210269_100000053229 [0,1,0,1,0,0|0,0,1]=3 25452 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000759926_100000179811 [0,1,0,1,0,0|0,0,1]=3 25453 B11R1.172 CC(=O)CCOC1CCOC1 34a_100000759926_100000690089 [0,1,0,1,0,0|1,0,1]=4 25454 B11R1.172 CC(=O)CCOC1CCOC1 7a_100000759926_100000731011 [0,1,0,1,0,0|1,0,1]=4 25455 B11R1.172 CC(=O)CCOC1CCSC1 7a_100011232664_100000053229 [0,1,0,1,0,0|1,0,1]=4 25456 B11R1.172 CC(=O)CCSC1CCCC1 62a_100000053229_100000179811 [0,1,0,1,0,0|0,1,1]=4 25457 B11R1.172 CC(=O)CCSC1CCCC1 62a_100011217020_100000053229 [0,1,0,1,0,0|0,1,1]=4 25458 B11R1.172 CC(=O)OCOC1CCCC1 34a_100000210269_100009813279 [0,1,0,1,0,0|1,0,1]=4 25459 B11R1.172 CC(Br)CCOC1CCCC1 34a_100009893172_100000179811 [0,1,0,1,0,0|0,0,0]=2 25460 B11R1.172 CC(Br)CCOC1CCOC1 34a_100009893172_100000690089 [0,1,0,1,0,0|1,0,0]=3 25461 B11R1.172 CC(Br)COCC1CCCC1 34a_100012180447_100000740388 [0,1,0,1,0,0|2,0,0]=4 25462 B11R1.172 CC(C)CCCN1CCCC1 2230a_100000188435_100011214892 [0,1,0,1,0,0|1,0,0]=3 25463 B11R1.172 CC(C)CCCN1CCCC1 269982a_100000188435_100011214892 [0,1,0,1,0,0|1,0,0]=3 25464 B11R1.172 CC(C)CCCN1CCSC1 2230a_100011215254_100011214892 [0,1,0,1,0,0|2,0,0]=4 25465 B11R1.172 CC(C)CCCN1CCSC1 269982a_100011215254_100011214892 [0,1,0,1,0,0|2,0,0]=4 25466 B11R1.172 CC(C)CCNC1CCCC1 2230a_100000211070_100000210312 [0,1,0,1,0,0|1,0,0]=3 25467 B11R1.172 CC(C)CCNC1CCCC1 269862a_100000211070_100000185833 [0,1,0,1,0,0|1,0,0]=3 25468 B11R1.172 CC(C)CCNC1CCCC1 270004a_100000210545_100000210133 [0,1,0,1,0,0|1,0,0]=3 25469 B11R1.172 CC(C)CCNC1CCCC1 34a_100000211070_100000210312 [0,1,0,1,0,0|1,0,0]=3 25470 B11R1.172 CC(C)CCNC1CCOC1 270004a_100000210545_100000752484 [0,1,0,1,0,0|2,0,0]=4 25471 B11R1.172 CC(C)CCNC1CCSC1 270004a_100000210545_100000212027 [0,1,0,1,0,0|2,0,0]=4 25472 B11R1.172 CC(C)CCN[C@@H]1CCOC1 2230a_200015188469_100000210312 [0,1,0,1,0,0|2,0,0]=4 25473 B11R1.172 CC(C)CCN[C@@H]1CCOC1 269862a_200015188469_100000185833 [0,1,0,1,0,0|2,0,0]=4 25474 B11R1.172 CC(C)CCN[C@H]1CCOC1 2230a_100015188467_100000210312 [0,1,0,1,0,0|2,0,0]=4 25475 B11R1.172 CC(C)CCN[C@H]1CCOC1 269862a_100015188467_100000185833 [0,1,0,1,0,0|2,0,0]=4 25476 B11R1.172 CC(C)CCN[C@H]1CCOC1 34a_100015188467_100000210312 [0,1,0,1,0,0|2,0,0]=4 25477 B11R1.172 CC(C)CCOC1CCCC1 34a_100000210254_100000179811 [0,1,0,1,0,0|0,0,0]=2 25478 B11R1.172 CC(C)CCOC1CCCC1 34a_100000210269_100000210312 [0,1,0,1,0,0|0,0,0]=2 25479 B11R1.172 CC(C)CCOC1CCCC1 7a_100000210254_100000179811 [0,1,0,1,0,0|0,0,0]=2 25480 B11R1.172 CC(C)CCOC1CCCC1 7a_100000210269_100000210626 [0,1,0,1,0,0|0,0,0]=2 25481 B11R1.172 CC(C)CCOC1CCCO1 34a_100000085407_100000210312 [0,1,0,1,0,0|1,0,0]=3 25482 B11R1.172 CC(C)CCOC1CCOC1 34a_100000210254_100000690089 [0,1,0,1,0,0|1,0,0]=3 25483 B11R1.172 CC(C)CCOC1CCOC1 7a_100000210254_100000731011 [0,1,0,1,0,0|1,0,0]=3 25484 B11R1.172 CC(C)CCOC1CCSC1 7a_100011232664_100000210626 [0,1,0,1,0,0|1,0,0]=3 25485 B11R1.172 CC(C)CCO[C@H]1CCOC1 34a_100000717292_100000210312 [0,1,0,1,0,0|1,0,0]=3 25486 B11R1.172 CC(C)CCSC1CCCC1 62a_100000210312_100000179811 [0,1,0,1,0,0|0,1,0]=3 25487 B11R1.172 CC(C)CCSC1CCCC1 62a_100011217020_100000210312 [0,1,0,1,0,0|0,1,0]=3 25488 B11R1.172 CC(C)CCSC1CCOC1 62a_100000210312_100000690089 [0,1,0,1,0,0|1,1,0]=4 25489 B11R1.172 CC(C)CNCC1CCCC1 2230a_100000210953_100000740388 [0,1,0,1,0,0|2,0,0]=4 25490 B11R1.172 CC(C)CNCC1CCCC1 2230a_100000737975_100000210760 [0,1,0,1,0,0|2,0,0]=4 25491 B11R1.172 CC(C)CNCC1CCCC1 269862a_100000210953_100000746403 [0,1,0,1,0,0|2,0,0]=4 25492 B11R1.172 CC(C)CNCC1CCCC1 270004a_100000737975_100000210432 [0,1,0,1,0,0|2,0,0]=4 25493 B11R1.172 CC(C)CNCC1CCCC1 34a_100000210953_100000740388 [0,1,0,1,0,0|2,0,0]=4 25494 B11R1.172 CC(C)CNCC1CCCC1 34a_100000737975_100000210624 [0,1,0,1,0,0|2,0,0]=4 25495 B11R1.172 CC(C)COCC1CCCC1 34a_100000210257_100000740388 [0,1,0,1,0,0|2,0,0]=4 25496 B11R1.172 CC(C)COCC1CCCC1 34a_100000742336_100000210624 [0,1,0,1,0,0|2,0,0]=4 25497 B11R1.172 CC(C)COCC1CCCC1 7a_100000742336_100000210760 [0,1,0,1,0,0|2,0,0]=4 25498 B11R1.172 CC(C)CSCC1CCCC1 62a_100000210624_100000740388 [0,1,0,1,0,0|2,0,0]=4 25499 B11R1.172 CC(C)CSCC1CCCC1 62a_100000740388_100000210760 [0,1,0,1,0,0|2,0,0]=4 25500 B11R1.172 CC(C)NCCC1CCCC1 2230a_100000739158_100000210206 [0,1,0,1,0,0|2,0,0]=4 25501 B11R1.172 CC(C)NCCC1CCCC1 2230a_100138425928_100000760354 [0,1,0,1,0,0|2,0,0]=4 25502 B11R1.172 CC(C)NCCC1CCCC1 34a_100000739158_100000210206 [0,1,0,1,0,0|2,0,0]=4 25503 B11R1.172 CC(C)NCCC1CCCC1 34a_100138425928_100000760354 [0,1,0,1,0,0|2,0,0]=4 25504 B11R1.172 CC(C)OCCC1CCCC1 34a_100000212225_100000760354 [0,1,0,1,0,0|2,0,0]=4 25505 B11R1.172 CC(C)OCCC1CCCC1 34a_100000749090_100000210206 [0,1,0,1,0,0|2,0,0]=4 25506 B11R1.172 CC(C)OCCC1CCCC1 7a_100000749090_100000210206 [0,1,0,1,0,0|2,0,0]=4 25507 B11R1.172 CC(C)OCCN1CCCC1 2230a_100000188435_100000211751 [0,1,0,1,0,0|2,0,0]=4 25508 B11R1.172 CC(C)OCCN1CCCC1 269982a_100000188435_100000211751 [0,1,0,1,0,0|2,0,0]=4 25509 B11R1.172 CC(C)OCNC1CCCC1 2230a_100000211070_100000709892 [0,1,0,1,0,0|2,0,0]=4 25510 B11R1.172 CC(C)OCNC1CCCC1 34a_100000211070_100000709892 [0,1,0,1,0,0|2,0,0]=4 25511 B11R1.172 CC(C)OCOC1CCCC1 34a_100000210269_100000709892 [0,1,0,1,0,0|1,0,0]=3 25512 B11R1.172 CC(C)OCOC1CCCO1 34a_100000085407_100000709892 [0,1,0,1,0,0|2,0,0]=4 25513 B11R1.172 CC(C)OCO[C@H]1CCOC1 34a_100000717292_100000709892 [0,1,0,1,0,0|2,0,0]=4 25514 B11R1.172 CC(C)OCSC1CCCC1 62a_100000709892_100000179811 [0,1,0,1,0,0|1,1,0]=4 25515 B11R1.172 CC(C)OCSC1CCCC1 62a_100011217020_100000709892 [0,1,0,1,0,0|1,1,0]=4 25516 B11R1.172 CC(C)SCCC1CCCC1 62a_100000210206_100000760354 [0,1,0,1,0,0|2,0,0]=4 25517 B11R1.172 CC(C)SCCC1CCCC1 62a_100000760354_100000210206 [0,1,0,1,0,0|2,0,0]=4 25518 B11R1.172 CC(C)SCCN1CCCC1 2230a_100000188435_100000730970 [0,1,0,1,0,0|2,0,0]=4 25519 B11R1.172 CC(C)SCCN1CCCC1 269982a_100000188435_100000730970 [0,1,0,1,0,0|2,0,0]=4 25520 B11R1.172 CC(C)SCCN1CCCC1 62a_100000210206_100000004467 [0,1,0,1,0,0|2,0,0]=4 25521 B11R1.172 CC(C)SCCN1CCCC1 62a_100000700749_100000210206 [0,1,0,1,0,0|2,0,0]=4 25522 B11R1.172 CC(F)COCC1CCCC1 34a_100015925927_100000740388 [0,1,0,1,0,0|2,0,0]=4 25523 B11R1.172 CC(O)CCCN1CCCC1 2230a_100000188435_200000718107 [0,1,0,1,0,0|1,0,0]=3 25524 B11R1.172 CC(O)CCCN1CCCC1 269982a_100000188435_200000718107 [0,1,0,1,0,0|1,0,0]=3 25525 B11R1.172 CC(O)CCCN1CCSC1 2230a_100011215254_200000718107 [0,1,0,1,0,0|2,0,0]=4 25526 B11R1.172 CC(O)CCCN1CCSC1 269982a_100011215254_200000718107 [0,1,0,1,0,0|2,0,0]=4 25527 B11R1.172 CC(O)CCNC1CCCC1 2230a_100000211070_100012276601 [0,1,0,1,0,0|1,0,0]=3 25528 B11R1.172 CC(O)CCNC1CCCC1 2230a_200000755665_100000179811 [0,1,0,1,0,0|1,0,0]=3 25529 B11R1.172 CC(O)CCNC1CCCC1 270004a_200000755665_100000210133 [0,1,0,1,0,0|1,0,0]=3 25530 B11R1.172 CC(O)CCNC1CCCC1 34a_100000211070_100012276601 [0,1,0,1,0,0|1,0,0]=3 25531 B11R1.172 CC(O)CCNC1CCOC1 2230a_200000755665_100000731011 [0,1,0,1,0,0|2,0,0]=4 25532 B11R1.172 CC(O)CCNC1CCOC1 270004a_200000755665_100000752484 [0,1,0,1,0,0|2,0,0]=4 25533 B11R1.172 CC(O)CCNC1CCSC1 270004a_200000755665_100000212027 [0,1,0,1,0,0|2,0,0]=4 25534 B11R1.172 CC(O)CCN[C@@H]1CCOC1 2230a_200015188469_100012276601 [0,1,0,1,0,0|2,0,0]=4 25535 B11R1.172 CC(O)CCN[C@H]1CCOC1 2230a_100015188467_100012276601 [0,1,0,1,0,0|2,0,0]=4 25536 B11R1.172 CC(O)CCN[C@H]1CCOC1 34a_100015188467_100012276601 [0,1,0,1,0,0|2,0,0]=4 25537 B11R1.172 CC(O)CCOC1CCCC1 34a_100000210269_100012276601 [0,1,0,1,0,0|0,0,0]=2 25538 B11R1.172 CC(O)CCOC1CCCC1 7a_100000210269_100012276601 [0,1,0,1,0,0|0,0,0]=2 25539 B11R1.172 CC(O)CCOC1CCCO1 34a_100000085407_100012276601 [0,1,0,1,0,0|1,0,0]=3 25540 B11R1.172 CC(O)CCOC1CCSC1 7a_100011232664_100012276601 [0,1,0,1,0,0|1,0,0]=3 25541 B11R1.172 CC(O)CCO[C@H]1CCOC1 34a_100000717292_100012276601 [0,1,0,1,0,0|1,0,0]=3 25542 B11R1.172 CC(O)CCSC1CCCC1 62a_100011217020_100012276601 [0,1,0,1,0,0|0,1,0]=3 25543 B11R1.172 CC(O)CCSC1CCCC1 62a_100012276601_100000179811 [0,1,0,1,0,0|0,1,0]=3 25544 B11R1.172 CC(O)CCSC1CCOC1 62a_100012276601_100000690089 [0,1,0,1,0,0|1,1,0]=4 25545 B11R1.172 CC(O)CNCC1CCCC1 2230a_100000210904_100000740388 [0,1,0,1,0,0|2,0,0]=4 25546 B11R1.172 CC(O)CNCC1CCCC1 2230a_100000737975_100011218427 [0,1,0,1,0,0|2,0,0]=4 25547 B11R1.172 CC(O)CNCC1CCCC1 269862a_100000210904_100000746403 [0,1,0,1,0,0|2,0,0]=4 25548 B11R1.172 CC(O)CNCC1CCCC1 34a_100000210904_100000740388 [0,1,0,1,0,0|2,0,0]=4 25549 B11R1.172 CC(O)CNCC1CCCC1 34a_100000737975_100011218427 [0,1,0,1,0,0|2,0,0]=4 25550 B11R1.172 CC(O)COCC1CCCC1 34a_100000742336_100011218427 [0,1,0,1,0,0|2,0,0]=4 25551 B11R1.172 CC(O)COCC1CCCC1 7a_100000742336_100011218427 [0,1,0,1,0,0|2,0,0]=4 25552 B11R1.172 CC(O)CSCC1CCCC1 62a_100000740388_100011218427 [0,1,0,1,0,0|2,0,0]=4 25553 B11R1.172 CC(O)CSCC1CCCC1 62a_100011218427_100000740388 [0,1,0,1,0,0|2,0,0]=4 25554 B11R1.172 CN(C)CCCC1CCCC1 2230a_100015186261_200000210301 [0,1,0,1,0,0|2,0,0]=4 25555 B11R1.172 CN(C)CCCC1CCCC1 2230a_100102631434_100011713738 [0,1,0,1,0,0|2,0,0]=4 25556 B11R1.172 CN(C)CCCC1CCCC1 269982a_100015186261_200000210301 [0,1,0,1,0,0|2,0,0]=4 25557 B11R1.172 CN(C)CCCC1CCCC1 269982a_100102631434_100011713738 [0,1,0,1,0,0|2,0,0]=4 25558 B11R1.172 CN(C)CCCC1CCCC1 34a_100015186261_200000210301 [0,1,0,1,0,0|2,0,0]=4 25559 B11R1.172 CN(C)CCCN1CCCC1 2230a_100102631434_100011445909 [0,1,0,1,0,0|2,0,0]=4 25560 B11R1.172 CN(C)CCCN1CCCC1 269982a_100000188435_100000757444 [0,1,0,1,0,0|2,0,0]=4 25561 B11R1.172 CN(C)CCCN1CCCC1 269982a_100000233079_200000210301 [0,1,0,1,0,0|2,0,0]=4 25562 B11R1.172 CN(C)CCCN1CCCC1 269982a_100102631434_100011445909 [0,1,0,1,0,0|2,0,0]=4 25563 B11R1.172 CN(C)CCNC1CCCC1 270004a_100000210585_100000210133 [0,1,0,1,0,0|2,0,0]=4 25564 B11R1.172 CN(C)CCOC1CCCC1 7a_100000210269_100000755713 [0,1,0,1,0,0|1,0,0]=3 25565 B11R1.172 CN(C)CCOC1CCSC1 7a_100011232664_100000755713 [0,1,0,1,0,0|2,0,0]=4 25566 B11R1.172 CN(C)CCSC1CCCC1 62a_100011217020_100000755713 [0,1,0,1,0,0|1,1,0]=4 25567 B11R1.172 CN([13CH3])CCCC1CCCC1 2230a_100015186261_200025704644 [0,1,0,1,0,0|2,0,0]=4 25568 B11R1.172 CN([13CH3])CCCC1CCCC1 269982a_100015186261_200025704644 [0,1,0,1,0,0|2,0,0]=4 25569 B11R1.172 CN([13CH3])CCCC1CCCC1 34a_100015186261_200025704644 [0,1,0,1,0,0|2,0,0]=4 25570 B11R1.172 CN([13CH3])CCCN1CCCC1 269982a_100000233079_200025704644 [0,1,0,1,0,0|2,0,0]=4 25571 B11R1.172 C[C@@H](Cl)COCC1CCCC1 34a_100016084084_100000740388 [0,1,0,1,0,0|2,0,0]=4 25572 B11R1.172 C[C@@H](N)CCOC1CCCC1 34a_100000706166_100000179811 [0,1,0,1,0,0|0,0,0]=2 25573 B11R1.172 C[C@@H](N)CCOC1CCOC1 34a_100000706166_100000690089 [0,1,0,1,0,0|1,0,0]=3 25574 B11R1.172 C[C@@H](N)COCC1CCCC1 34a_100000737577_100000740388 [0,1,0,1,0,0|2,0,0]=4 25575 B11R1.172 C[C@@H](O)CNCC1CCCC1 2230a_100000737975_100009817552 [0,1,0,1,0,0|2,0,0]=4 25576 B11R1.172 C[C@@H](O)CNCC1CCCC1 34a_100000737975_100009817552 [0,1,0,1,0,0|2,0,0]=4 25577 B11R1.172 C[C@@H](O)COCC1CCCC1 34a_100000742336_100009817552 [0,1,0,1,0,0|2,0,0]=4 25578 B11R1.172 C[C@@H](O)COCC1CCCC1 7a_100000742336_100009817552 [0,1,0,1,0,0|2,0,0]=4 25579 B11R1.172 C[C@@H](O)CSCC1CCCC1 62a_100000740388_100009817552 [0,1,0,1,0,0|2,0,0]=4 25580 B11R1.172 C[C@@H](O)CSCC1CCCC1 62a_100009817552_100000740388 [0,1,0,1,0,0|2,0,0]=4 25581 B11R1.172 FC(F)CCOC1CCCC1 34a_100103093639_100000179811 [0,1,0,1,0,0|1,0,0]=3 25582 B11R1.172 FC(F)CCOC1CCOC1 34a_100103093639_100000690089 [0,1,0,1,0,0|2,0,0]=4 25583 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000210269_100000731001 [0,1,0,1,0,0|1,0,1]=4 25584 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000757172_100000179811 [0,1,0,1,0,0|1,0,1]=4 25585 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000210269_100000744528 [0,1,0,1,0,0|1,0,1]=4 25586 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000757172_100000179811 [0,1,0,1,0,0|1,0,1]=4 25587 B11R1.172 [13CH3]C(=O)CCCN1CCCC1 1458a_100000743284_200025704644 [0,1,0,1,0,0|1,0,1]=4 25588 B11R1.174 C=C(Br)CCOCC1CCC1 34a_100009813270_100000763275 [0,1,0,1,0,0|0,0,2]=4 25589 B11R1.174 C=C(C)CCNCC1CCC1 2230a_100000738700_100000730704 [0,1,0,1,0,0|1,0,1]=4 25590 B11R1.174 C=C(C)CCNCC1CCC1 34a_100000738700_100000730704 [0,1,0,1,0,0|1,0,1]=4 25591 B11R1.174 C=C(C)CCOCC1CCC1 34a_100000760304_100000730704 [0,1,0,1,0,0|0,0,1]=3 25592 B11R1.174 C=C(C)CCOCC1CCC1 34a_100000764851_100000763275 [0,1,0,1,0,0|0,0,1]=3 25593 B11R1.174 C=C(C)CCOCC1CCO1 34a_100000039022_100000730704 [0,1,0,1,0,0|1,0,1]=4 25594 B11R1.174 C=C(C)CCOCC1CCO1 34a_100000764851_100000103362 [0,1,0,1,0,0|1,0,1]=4 25595 B11R1.174 C=C(C)CCOCC1CNC1 34a_100016987283_100000730704 [0,1,0,1,0,0|1,0,1]=4 25596 B11R1.174 C=C(C)CCOCC1COC1 34a_100000060846_100000730704 [0,1,0,1,0,0|1,0,1]=4 25597 B11R1.174 C=C(C)CCOCC1COC1 34a_100000764851_100010264016 [0,1,0,1,0,0|1,0,1]=4 25598 B11R1.174 C=C(C)CCSCC1CCC1 62a_100000730704_100000763275 [0,1,0,1,0,0|0,1,1]=4 25599 B11R1.174 C=C(C)CCSCC1CCC1 62a_100000763275_100000730704 [0,1,0,1,0,0|0,1,1]=4 25600 B11R1.174 CC(=CCCOC1CCC1)C 34a_100000748187_100011217483 [0,1,0,1,0,0|0,0,2]=4 25601 B11R1.174 CC(=CCOCC1CCC1)C 34a_100000753907_100000763275 [0,1,0,1,0,0|0,0,2]=4 25602 B11R1.174 CC(=CCOCC1CCC1)C 34a_100000760304_100000761012 [0,1,0,1,0,0|0,0,2]=4 25603 B11R1.174 CC(=O)CCCNC1CCC1 34a_100000749019_100000685027 [0,1,0,1,0,0|1,0,1]=4 25604 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000748187_100000685027 [0,1,0,1,0,0|0,0,1]=3 25605 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000759063_100000749161 [0,1,0,1,0,0|0,0,1]=3 25606 B11R1.174 CC(=O)CCCOC1COC1 34a_100000759063_100009818527 [0,1,0,1,0,0|1,0,1]=4 25607 B11R1.174 CC(=O)CCCOC1COC1 7a_100000759063_100009818527 [0,1,0,1,0,0|1,0,1]=4 25608 B11R1.174 CC(=O)CCCOC1CSC1 7a_100000072292_100011215641 [0,1,0,1,0,0|1,0,1]=4 25609 B11R1.174 CC(=O)CCCSC1CCC1 62a_100011215641_100000749161 [0,1,0,1,0,0|0,1,1]=4 25610 B11R1.174 CC(=O)CCOCC1CCC1 34a_100000759926_100000763275 [0,1,0,1,0,0|0,0,1]=3 25611 B11R1.174 CC(=O)CCOCC1CCC1 7a_100000759926_100000763275 [0,1,0,1,0,0|0,0,1]=3 25612 B11R1.174 CC(=O)CCOCC1CCO1 34a_100000759926_100000103362 [0,1,0,1,0,0|1,0,1]=4 25613 B11R1.174 CC(=O)CCOCC1CCO1 7a_100000759926_100000103362 [0,1,0,1,0,0|1,0,1]=4 25614 B11R1.174 CC(=O)CCOCC1COC1 34a_100000759926_100010264016 [0,1,0,1,0,0|1,0,1]=4 25615 B11R1.174 CC(=O)CCOCC1COC1 7a_100000759926_100010264016 [0,1,0,1,0,0|1,0,1]=4 25616 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000053229_100000763275 [0,1,0,1,0,0|0,1,1]=4 25617 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000763275_100000053229 [0,1,0,1,0,0|0,1,1]=4 25618 B11R1.174 CC(=O)NCCOC1CCC1 34a_100000158858_100000749161 [0,1,0,1,0,0|1,0,1]=4 25619 B11R1.174 CC(=O)OCCOC1CCC1 34a_100000748187_100009814007 [0,1,0,1,0,0|1,0,1]=4 25620 B11R1.174 CC(=O)OCOCC1CCC1 34a_100000760304_100009813279 [0,1,0,1,0,0|1,0,1]=4 25621 B11R1.174 CC(Br)CCOCC1CCC1 34a_100009893172_100000763275 [0,1,0,1,0,0|0,0,0]=2 25622 B11R1.174 CC(Br)CCOCC1CCO1 34a_100009893172_100000103362 [0,1,0,1,0,0|1,0,0]=3 25623 B11R1.174 CC(Br)CCOCC1COC1 34a_100009893172_100010264016 [0,1,0,1,0,0|1,0,0]=3 25624 B11R1.174 CC(C)CCCCN1CCC1 269982a_100000754969_100011216152 [0,1,0,1,0,0|2,0,0]=4 25625 B11R1.174 CC(C)CCCNC1CCC1 2230a_100000749019_100011214892 [0,1,0,1,0,0|1,0,0]=3 25626 B11R1.174 CC(C)CCCNC1CCC1 270004a_200000737386_100000241760 [0,1,0,1,0,0|1,0,0]=3 25627 B11R1.174 CC(C)CCCNC1CCC1 34a_100000749019_100011214892 [0,1,0,1,0,0|1,0,0]=3 25628 B11R1.174 CC(C)CCCNC1CCC1 34a_200000737386_100000749161 [0,1,0,1,0,0|1,0,0]=3 25629 B11R1.174 CC(C)CCCNC1COC1 2230a_100016991112_100011214892 [0,1,0,1,0,0|2,0,0]=4 25630 B11R1.174 CC(C)CCCNC1COC1 34a_200000737386_100009818527 [0,1,0,1,0,0|2,0,0]=4 25631 B11R1.174 CC(C)CCCOC1CCC1 34a_100000210774_100000749161 [0,1,0,1,0,0|0,0,0]=2 25632 B11R1.174 CC(C)CCCOC1CCC1 34a_100000748187_100011214892 [0,1,0,1,0,0|0,0,0]=2 25633 B11R1.174 CC(C)CCCOC1COC1 34a_100000210774_100009818527 [0,1,0,1,0,0|1,0,0]=3 25634 B11R1.174 CC(C)CCCOC1COC1 7a_100000210774_100009818527 [0,1,0,1,0,0|1,0,0]=3 25635 B11R1.174 CC(C)CCCOC1CSC1 7a_100000072292_100011214892 [0,1,0,1,0,0|1,0,0]=3 25636 B11R1.174 CC(C)CCCSC1CCC1 62a_100011214892_100000749161 [0,1,0,1,0,0|0,1,0]=3 25637 B11R1.174 CC(C)CCCSC1COC1 62a_100011214892_100009818527 [0,1,0,1,0,0|1,1,0]=4 25638 B11R1.174 CC(C)CCNCC1CCC1 2230a_100000738700_100000210312 [0,1,0,1,0,0|1,0,0]=3 25639 B11R1.174 CC(C)CCNCC1CCC1 269862a_100000210545_100000753134 [0,1,0,1,0,0|1,0,0]=3 25640 B11R1.174 CC(C)CCNCC1CCC1 269862a_100000738700_100000185833 [0,1,0,1,0,0|1,0,0]=3 25641 B11R1.174 CC(C)CCNCC1CCC1 34a_100000738700_100000210312 [0,1,0,1,0,0|1,0,0]=3 25642 B11R1.174 CC(C)CCNCC1COC1 2230a_100015281925_100000210312 [0,1,0,1,0,0|2,0,0]=4 25643 B11R1.174 CC(C)CCNCC1COC1 269862a_100015281925_100000185833 [0,1,0,1,0,0|2,0,0]=4 25644 B11R1.174 CC(C)CCNCC1COC1 34a_100015281925_100000210312 [0,1,0,1,0,0|2,0,0]=4 25645 B11R1.174 CC(C)CCNC[C@@H]1CCO1 2230a_100020831831_100000210312 [0,1,0,1,0,0|2,0,0]=4 25646 B11R1.174 CC(C)CCNC[C@@H]1CCO1 269862a_100020831831_100000185833 [0,1,0,1,0,0|2,0,0]=4 25647 B11R1.174 CC(C)CCNC[C@@H]1CCO1 34a_100020831831_100000210312 [0,1,0,1,0,0|2,0,0]=4 25648 B11R1.174 CC(C)CCOCC1CCC1 34a_100000210254_100000763275 [0,1,0,1,0,0|0,0,0]=2 25649 B11R1.174 CC(C)CCOCC1CCC1 34a_100000760304_100000210312 [0,1,0,1,0,0|0,0,0]=2 25650 B11R1.174 CC(C)CCOCC1CCC1 7a_100000210254_100000763275 [0,1,0,1,0,0|0,0,0]=2 25651 B11R1.174 CC(C)CCOCC1CCO1 34a_100000039022_100000210312 [0,1,0,1,0,0|1,0,0]=3 25652 B11R1.174 CC(C)CCOCC1CCO1 34a_100000210254_100000103362 [0,1,0,1,0,0|1,0,0]=3 25653 B11R1.174 CC(C)CCOCC1CCO1 7a_100000210254_100000103362 [0,1,0,1,0,0|1,0,0]=3 25654 B11R1.174 CC(C)CCOCC1CNC1 34a_100016987283_100000210312 [0,1,0,1,0,0|1,0,0]=3 25655 B11R1.174 CC(C)CCOCC1COC1 34a_100000060846_100000210312 [0,1,0,1,0,0|1,0,0]=3 25656 B11R1.174 CC(C)CCOCC1COC1 34a_100000210254_100010264016 [0,1,0,1,0,0|1,0,0]=3 25657 B11R1.174 CC(C)CCOCC1COC1 7a_100000210254_100010264016 [0,1,0,1,0,0|1,0,0]=3 25658 B11R1.174 CC(C)CCSCC1CCC1 62a_100000210312_100000763275 [0,1,0,1,0,0|0,1,0]=3 25659 B11R1.174 CC(C)CCSCC1CCC1 62a_100000763275_100000210312 [0,1,0,1,0,0|0,1,0]=3 25660 B11R1.174 CC(C)CCSCC1CCO1 62a_100000103362_100000210312 [0,1,0,1,0,0|1,1,0]=4 25661 B11R1.174 CC(C)CCSCC1CCO1 62a_100000210312_100000103362 [0,1,0,1,0,0|1,1,0]=4 25662 B11R1.174 CC(C)CCSCC1COC1 62a_100000210312_100010264016 [0,1,0,1,0,0|1,1,0]=4 25663 B11R1.174 CC(C)CCSCC1COC1 62a_100010264016_100000210312 [0,1,0,1,0,0|1,1,0]=4 25664 B11R1.174 CC(C)NCCOC1CCC1 34a_100000224655_100000749161 [0,1,0,1,0,0|1,0,0]=3 25665 B11R1.174 CC(C)NCCOC1COC1 34a_100000224655_100009818527 [0,1,0,1,0,0|2,0,0]=4 25666 B11R1.174 CC(C)OCCNC1CCC1 2230a_100000749019_100000211751 [0,1,0,1,0,0|2,0,0]=4 25667 B11R1.174 CC(C)OCCNC1CCC1 270004a_100000701111_100000241760 [0,1,0,1,0,0|2,0,0]=4 25668 B11R1.174 CC(C)OCCNC1CCC1 34a_100000701111_100000749161 [0,1,0,1,0,0|2,0,0]=4 25669 B11R1.174 CC(C)OCCNC1CCC1 34a_100000749019_100000211751 [0,1,0,1,0,0|2,0,0]=4 25670 B11R1.174 CC(C)OCCOC1CCC1 34a_100000211219_100000749161 [0,1,0,1,0,0|1,0,0]=3 25671 B11R1.174 CC(C)OCCOC1CCC1 34a_100000748187_100000211751 [0,1,0,1,0,0|1,0,0]=3 25672 B11R1.174 CC(C)OCCOC1COC1 34a_100000211219_100009818527 [0,1,0,1,0,0|2,0,0]=4 25673 B11R1.174 CC(C)OCCOC1COC1 7a_100000211219_100009818527 [0,1,0,1,0,0|2,0,0]=4 25674 B11R1.174 CC(C)OCCOC1CSC1 7a_100000072292_100000211751 [0,1,0,1,0,0|2,0,0]=4 25675 B11R1.174 CC(C)OCCSC1CCC1 62a_100000211751_100000749161 [0,1,0,1,0,0|1,1,0]=4 25676 B11R1.174 CC(C)OCNCC1CCC1 2230a_100000738700_100000709892 [0,1,0,1,0,0|2,0,0]=4 25677 B11R1.174 CC(C)OCNCC1CCC1 34a_100000738700_100000709892 [0,1,0,1,0,0|2,0,0]=4 25678 B11R1.174 CC(C)OCOCC1CCC1 34a_100000760304_100000709892 [0,1,0,1,0,0|1,0,0]=3 25679 B11R1.174 CC(C)OCOCC1CCO1 34a_100000039022_100000709892 [0,1,0,1,0,0|2,0,0]=4 25680 B11R1.174 CC(C)OCOCC1CNC1 34a_100016987283_100000709892 [0,1,0,1,0,0|2,0,0]=4 25681 B11R1.174 CC(C)OCOCC1COC1 34a_100000060846_100000709892 [0,1,0,1,0,0|2,0,0]=4 25682 B11R1.174 CC(C)OCSCC1CCC1 62a_100000709892_100000763275 [0,1,0,1,0,0|1,1,0]=4 25683 B11R1.174 CC(C)OCSCC1CCC1 62a_100000763275_100000709892 [0,1,0,1,0,0|1,1,0]=4 25684 B11R1.174 CC(C)SCCNC1CCC1 2230a_100000749019_100000730970 [0,1,0,1,0,0|2,0,0]=4 25685 B11R1.174 CC(C)SCCNC1CCC1 270004a_100000731138_100000241760 [0,1,0,1,0,0|2,0,0]=4 25686 B11R1.174 CC(C)SCCNC1CCC1 34a_100000731138_100000749161 [0,1,0,1,0,0|2,0,0]=4 25687 B11R1.174 CC(C)SCCNC1CCC1 34a_100000749019_100000730970 [0,1,0,1,0,0|2,0,0]=4 25688 B11R1.174 CC(C)SCCOC1CCC1 34a_100000748187_100000730970 [0,1,0,1,0,0|1,0,0]=3 25689 B11R1.174 CC(C)SCCOC1CCC1 34a_200011212901_100000749161 [0,1,0,1,0,0|1,0,0]=3 25690 B11R1.174 CC(C)SCCOC1COC1 34a_200011212901_100009818527 [0,1,0,1,0,0|2,0,0]=4 25691 B11R1.174 CC(C)SCCOC1COC1 7a_200011212901_100009818527 [0,1,0,1,0,0|2,0,0]=4 25692 B11R1.174 CC(C)SCCOC1CSC1 7a_100000072292_100000730970 [0,1,0,1,0,0|2,0,0]=4 25693 B11R1.174 CC(C)SCCSC1CCC1 62a_100000730970_100000749161 [0,1,0,1,0,0|1,1,0]=4 25694 B11R1.174 CC(O)CCCNC1CCC1 2230a_100000749019_200000718107 [0,1,0,1,0,0|1,0,0]=3 25695 B11R1.174 CC(O)CCCNC1CCC1 34a_100000749019_200000718107 [0,1,0,1,0,0|1,0,0]=3 25696 B11R1.174 CC(O)CCCNC1COC1 2230a_100016991112_200000718107 [0,1,0,1,0,0|2,0,0]=4 25697 B11R1.174 CC(O)CCCOC1CCC1 34a_100000748187_200000718107 [0,1,0,1,0,0|0,0,0]=2 25698 B11R1.174 CC(O)CCCOC1CSC1 7a_100000072292_200000718107 [0,1,0,1,0,0|1,0,0]=3 25699 B11R1.174 CC(O)CCCSC1CCC1 62a_200000718107_100000749161 [0,1,0,1,0,0|0,1,0]=3 25700 B11R1.174 CC(O)CCCSC1COC1 62a_200000718107_100009818527 [0,1,0,1,0,0|1,1,0]=4 25701 B11R1.174 CC(O)CCNCC1CCC1 2230a_100000738700_100012276601 [0,1,0,1,0,0|1,0,0]=3 25702 B11R1.174 CC(O)CCNCC1CCC1 2230a_200000755665_100000763275 [0,1,0,1,0,0|1,0,0]=3 25703 B11R1.174 CC(O)CCNCC1CCC1 269862a_200000755665_100000753134 [0,1,0,1,0,0|1,0,0]=3 25704 B11R1.174 CC(O)CCNCC1CCC1 34a_100000738700_100012276601 [0,1,0,1,0,0|1,0,0]=3 25705 B11R1.174 CC(O)CCNCC1CCO1 2230a_200000755665_100000103362 [0,1,0,1,0,0|2,0,0]=4 25706 B11R1.174 CC(O)CCNCC1COC1 2230a_100015281925_100012276601 [0,1,0,1,0,0|2,0,0]=4 25707 B11R1.174 CC(O)CCNCC1COC1 2230a_200000755665_100010264016 [0,1,0,1,0,0|2,0,0]=4 25708 B11R1.174 CC(O)CCNCC1COC1 34a_100015281925_100012276601 [0,1,0,1,0,0|2,0,0]=4 25709 B11R1.174 CC(O)CCNC[C@@H]1CCO1 2230a_100020831831_100012276601 [0,1,0,1,0,0|2,0,0]=4 25710 B11R1.174 CC(O)CCNC[C@@H]1CCO1 34a_100020831831_100012276601 [0,1,0,1,0,0|2,0,0]=4 25711 B11R1.174 CC(O)CCOCC1CCC1 34a_100000760304_100012276601 [0,1,0,1,0,0|0,0,0]=2 25712 B11R1.174 CC(O)CCOCC1CCO1 34a_100000039022_100012276601 [0,1,0,1,0,0|1,0,0]=3 25713 B11R1.174 CC(O)CCOCC1CNC1 34a_100016987283_100012276601 [0,1,0,1,0,0|1,0,0]=3 25714 B11R1.174 CC(O)CCOCC1COC1 34a_100000060846_100012276601 [0,1,0,1,0,0|1,0,0]=3 25715 B11R1.174 CC(O)CCSCC1CCC1 62a_100000763275_100012276601 [0,1,0,1,0,0|0,1,0]=3 25716 B11R1.174 CC(O)CCSCC1CCC1 62a_100012276601_100000763275 [0,1,0,1,0,0|0,1,0]=3 25717 B11R1.174 CC(O)CCSCC1CCO1 62a_100000103362_100012276601 [0,1,0,1,0,0|1,1,0]=4 25718 B11R1.174 CC(O)CCSCC1CCO1 62a_100012276601_100000103362 [0,1,0,1,0,0|1,1,0]=4 25719 B11R1.174 CC(O)CCSCC1COC1 62a_100010264016_100012276601 [0,1,0,1,0,0|1,1,0]=4 25720 B11R1.174 CC(O)CCSCC1COC1 62a_100012276601_100010264016 [0,1,0,1,0,0|1,1,0]=4 25721 B11R1.174 CN(C)CCCNC1CCC1 270004a_102531767803_100000241760 [0,1,0,1,0,0|2,0,0]=4 25722 B11R1.174 CN(C)CCCOC1CSC1 7a_100000072292_100000757444 [0,1,0,1,0,0|2,0,0]=4 25723 B11R1.174 CN(C)CCNCC1CCC1 269862a_100000210585_100000753134 [0,1,0,1,0,0|2,0,0]=4 25724 B11R1.174 CN(C)CCSCC1CCC1 62a_100000763275_100000755713 [0,1,0,1,0,0|1,1,0]=4 25725 B11R1.174 CS(=O)CCCNC1CCC1 270004a_200000753449_100000241760 [0,1,0,1,0,0|2,0,0]=4 25726 B11R1.174 C[C@@H](N)CCOCC1CCC1 34a_100000706166_100000763275 [0,1,0,1,0,0|0,0,0]=2 25727 B11R1.174 C[C@@H](N)CCOCC1CCO1 34a_100000706166_100000103362 [0,1,0,1,0,0|1,0,0]=3 25728 B11R1.174 C[C@@H](N)CCOCC1COC1 34a_100000706166_100010264016 [0,1,0,1,0,0|1,0,0]=3 25729 B11R1.174 FC(F)CCOCC1CCC1 34a_100103093639_100000763275 [0,1,0,1,0,0|1,0,0]=3 25730 B11R1.174 FC(F)CCOCC1CCO1 34a_100103093639_100000103362 [0,1,0,1,0,0|2,0,0]=4 25731 B11R1.174 FC(F)CCOCC1COC1 34a_100103093639_100010264016 [0,1,0,1,0,0|2,0,0]=4 25732 B11R1.174 NC(=O)CCCOC1CCC1 34a_100000748187_100102525003 [0,1,0,1,0,0|1,0,1]=4 25733 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000757172_100000763275 [0,1,0,1,0,0|1,0,1]=4 25734 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000760304_100000731001 [0,1,0,1,0,0|1,0,1]=4 25735 B11R1.174 NC(=O)CCOCC1CCC1 7a_100000757172_100000763275 [0,1,0,1,0,0|1,0,1]=4 25736 B11R1.174 O=[N+]([O-])CCCOC1CCC1 34a_200000037920_100000749161 [0,1,0,1,0,0|2,0,0]=4 25737 B11R1.176 C=C(Br)CCOCCC1CC1 34a_100009813270_100000694398 [0,1,0,1,0,0|0,0,2]=4 25738 B11R1.176 C=C(C)CCNCCC1CC1 34a_100000764129_100000730704 [0,1,0,1,0,0|1,0,1]=4 25739 B11R1.176 C=C(C)CCOCCC1CC1 34a_100000754188_100000730704 [0,1,0,1,0,0|0,0,1]=3 25740 B11R1.176 C=C(C)CCOCCC1CC1 34a_100000764851_100000694398 [0,1,0,1,0,0|0,0,1]=3 25741 B11R1.176 C=C(C)CCOCCC1CC1 7a_100000754188_100000730704 [0,1,0,1,0,0|0,0,1]=3 25742 B11R1.176 C=C(C)CCOCCC1CO1 34a_100000764851_100000732470 [0,1,0,1,0,0|1,0,1]=4 25743 B11R1.176 C=C(C)CCOCC[C@@H]1CO1 34a_100009820653_100000730704 [0,1,0,1,0,0|1,0,1]=4 25744 B11R1.176 C=C(C)CCSCCC1CC1 62a_100000730704_100000764125 [0,1,0,1,0,0|0,1,1]=4 25745 B11R1.176 C=C(C)CCSCCC1CC1 62a_100000764125_100000730704 [0,1,0,1,0,0|0,1,1]=4 25746 B11R1.176 CC(=CCCOCC1CC1)C 34a_100000211283_100011217483 [0,1,0,1,0,0|0,0,2]=4 25747 B11R1.176 CC(=CCOCCC1CC1)C 34a_100000753907_100000694398 [0,1,0,1,0,0|0,0,2]=4 25748 B11R1.176 CC(=CCOCCC1CC1)C 34a_100000754188_100000761012 [0,1,0,1,0,0|0,0,2]=4 25749 B11R1.176 CC(=CCOCCC1CC1)C 7a_100000754188_100000761012 [0,1,0,1,0,0|0,0,2]=4 25750 B11R1.176 CC(=O)CCCNCC1CC1 34a_100000735609_100000685027 [0,1,0,1,0,0|1,0,1]=4 25751 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000211283_100000685027 [0,1,0,1,0,0|0,0,1]=3 25752 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000759063_100000742324 [0,1,0,1,0,0|0,0,1]=3 25753 B11R1.176 CC(=O)CCCOCC1CC1 7a_100000759063_100000742324 [0,1,0,1,0,0|0,0,1]=3 25754 B11R1.176 CC(=O)CCCOCC1CO1 34a_100000759063_102125554688 [0,1,0,1,0,0|1,0,1]=4 25755 B11R1.176 CC(=O)CCCOCC1CO1 7a_100000759063_102125554688 [0,1,0,1,0,0|1,0,1]=4 25756 B11R1.176 CC(=O)CCCOCC1CS1 7a_100000759063_100000031435 [0,1,0,1,0,0|1,0,1]=4 25757 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000685027 [0,1,0,1,0,0|1,0,1]=4 25758 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 7a_100000759063_100000745022 [0,1,0,1,0,0|1,0,1]=4 25759 B11R1.176 CC(=O)CCCSCC1CC1 62a_100000756562_100011215641 [0,1,0,1,0,0|0,1,1]=4 25760 B11R1.176 CC(=O)CCCSCC1CC1 62a_100011215641_100000742324 [0,1,0,1,0,0|0,1,1]=4 25761 B11R1.176 CC(=O)CCOCCC1CC1 34a_100000759926_100000694398 [0,1,0,1,0,0|0,0,1]=3 25762 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000754188_100000053229 [0,1,0,1,0,0|0,0,1]=3 25763 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000759926_100000764125 [0,1,0,1,0,0|0,0,1]=3 25764 B11R1.176 CC(=O)CCOCCC1CO1 34a_100000759926_100000732470 [0,1,0,1,0,0|1,0,1]=4 25765 B11R1.176 CC(=O)CCOCCC1CO1 7a_100000759926_100000732470 [0,1,0,1,0,0|1,0,1]=4 25766 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000053229_100000764125 [0,1,0,1,0,0|0,1,1]=4 25767 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000764125_100000053229 [0,1,0,1,0,0|0,1,1]=4 25768 B11R1.176 CC(=O)NCCOCC1CC1 34a_100000158858_100000742324 [0,1,0,1,0,0|1,0,1]=4 25769 B11R1.176 CC(=O)OCCOCC1CC1 34a_100000211283_100009814007 [0,1,0,1,0,0|1,0,1]=4 25770 B11R1.176 CC(=O)OCOCCC1CC1 34a_100000754188_100009813279 [0,1,0,1,0,0|1,0,1]=4 25771 B11R1.176 CC(Br)CCOCCC1CC1 34a_100009893172_100000694398 [0,1,0,1,0,0|0,0,0]=2 25772 B11R1.176 CC(Br)CCOCCC1CO1 34a_100009893172_100000732470 [0,1,0,1,0,0|1,0,0]=3 25773 B11R1.176 CC(C)CCCCNC1CC1 34a_100000212008_100011216152 [0,1,0,1,0,0|2,0,0]=4 25774 B11R1.176 CC(C)CCCCOC1CC1 34a_100011214890_100000211595 [0,1,0,1,0,0|2,0,0]=4 25775 B11R1.176 CC(C)CCCCSC1CC1 62a_100011216152_100000211595 [0,1,0,1,0,0|2,0,0]=4 25776 B11R1.176 CC(C)CCCNCC1CC1 2230a_100000735609_100011214892 [0,1,0,1,0,0|1,0,0]=3 25777 B11R1.176 CC(C)CCCNCC1CC1 2230a_200000737386_100000742324 [0,1,0,1,0,0|1,0,0]=3 25778 B11R1.176 CC(C)CCCNCC1CC1 269862a_200000737386_100000741477 [0,1,0,1,0,0|1,0,0]=3 25779 B11R1.176 CC(C)CCCNCC1CC1 34a_100000735609_100011214892 [0,1,0,1,0,0|1,0,0]=3 25780 B11R1.176 CC(C)CCCNCC1CC1 34a_200000737386_100000742324 [0,1,0,1,0,0|1,0,0]=3 25781 B11R1.176 CC(C)CCCNCC1CO1 2230a_200000737386_100011216344 [0,1,0,1,0,0|2,0,0]=4 25782 B11R1.176 CC(C)CCCNCC1CO1 34a_200000737386_102125554688 [0,1,0,1,0,0|2,0,0]=4 25783 B11R1.176 CC(C)CCCOCC1CC1 34a_100000210774_100000742324 [0,1,0,1,0,0|0,0,0]=2 25784 B11R1.176 CC(C)CCCOCC1CC1 34a_100000211283_100011214892 [0,1,0,1,0,0|0,0,0]=2 25785 B11R1.176 CC(C)CCCOCC1CC1 7a_100000210774_100000742324 [0,1,0,1,0,0|0,0,0]=2 25786 B11R1.176 CC(C)CCCOCC1CO1 34a_100000210774_102125554688 [0,1,0,1,0,0|1,0,0]=3 25787 B11R1.176 CC(C)CCCOCC1CO1 7a_100000210774_102125554688 [0,1,0,1,0,0|1,0,0]=3 25788 B11R1.176 CC(C)CCCOCC1CS1 7a_100000210774_100000031435 [0,1,0,1,0,0|1,0,0]=3 25789 B11R1.176 CC(C)CCCOC[C@@H]1CO1 34a_100000757423_100011214892 [0,1,0,1,0,0|1,0,0]=3 25790 B11R1.176 CC(C)CCCOC[C@@H]1CO1 7a_100000210774_100000745022 [0,1,0,1,0,0|1,0,0]=3 25791 B11R1.176 CC(C)CCCSCC1CC1 62a_100000756562_100011214892 [0,1,0,1,0,0|0,1,0]=3 25792 B11R1.176 CC(C)CCCSCC1CC1 62a_100011214892_100000742324 [0,1,0,1,0,0|0,1,0]=3 25793 B11R1.176 CC(C)CCCSCC1CO1 62a_100011214892_102125554688 [0,1,0,1,0,0|1,1,0]=4 25794 B11R1.176 CC(C)CCCSCC1CO1 62a_102125554688_100011214892 [0,1,0,1,0,0|1,1,0]=4 25795 B11R1.176 CC(C)CCCSCC1CS1 62a_100000031435_100011214892 [0,1,0,1,0,0|1,1,0]=4 25796 B11R1.176 CC(C)CCCSCC1CS1 62a_100011214892_100000031435 [0,1,0,1,0,0|1,1,0]=4 25797 B11R1.176 CC(C)CCCSC[C@@H]1CO1 62a_100000745022_100011214892 [0,1,0,1,0,0|1,1,0]=4 25798 B11R1.176 CC(C)CCCSC[C@@H]1CO1 62a_100011214892_100000745022 [0,1,0,1,0,0|1,1,0]=4 25799 B11R1.176 CC(C)CCNCCC1CC1 269862a_100000764129_100000185833 [0,1,0,1,0,0|1,0,0]=3 25800 B11R1.176 CC(C)CCNCCC1CC1 34a_100000764129_100000210312 [0,1,0,1,0,0|1,0,0]=3 25801 B11R1.176 CC(C)CCOCCC1CC1 34a_100000210254_100000694398 [0,1,0,1,0,0|0,0,0]=2 25802 B11R1.176 CC(C)CCOCCC1CC1 34a_100000754188_100000210312 [0,1,0,1,0,0|0,0,0]=2 25803 B11R1.176 CC(C)CCOCCC1CC1 7a_100000210254_100000764125 [0,1,0,1,0,0|0,0,0]=2 25804 B11R1.176 CC(C)CCOCCC1CC1 7a_100000754188_100000210626 [0,1,0,1,0,0|0,0,0]=2 25805 B11R1.176 CC(C)CCOCCC1CO1 34a_100000210254_100000732470 [0,1,0,1,0,0|1,0,0]=3 25806 B11R1.176 CC(C)CCOCCC1CO1 7a_100000210254_100000732470 [0,1,0,1,0,0|1,0,0]=3 25807 B11R1.176 CC(C)CCOCC[C@@H]1CO1 34a_100009820653_100000210312 [0,1,0,1,0,0|1,0,0]=3 25808 B11R1.176 CC(C)CCSCCC1CC1 62a_100000210312_100000764125 [0,1,0,1,0,0|0,1,0]=3 25809 B11R1.176 CC(C)CCSCCC1CC1 62a_100000764125_100000210312 [0,1,0,1,0,0|0,1,0]=3 25810 B11R1.176 CC(C)CCSCCC1CO1 62a_100000210312_100000732470 [0,1,0,1,0,0|1,1,0]=4 25811 B11R1.176 CC(C)CCSCCC1CO1 62a_100000732470_100000210312 [0,1,0,1,0,0|1,1,0]=4 25812 B11R1.176 CC(C)NCCOCC1CC1 34a_100000224655_100000742324 [0,1,0,1,0,0|1,0,0]=3 25813 B11R1.176 CC(C)NCCOCC1CO1 34a_100000224655_102125554688 [0,1,0,1,0,0|2,0,0]=4 25814 B11R1.176 CC(C)OCCNCC1CC1 2230a_100000701111_100000742324 [0,1,0,1,0,0|2,0,0]=4 25815 B11R1.176 CC(C)OCCNCC1CC1 2230a_100000735609_100000211751 [0,1,0,1,0,0|2,0,0]=4 25816 B11R1.176 CC(C)OCCNCC1CC1 269862a_100000701111_100000741477 [0,1,0,1,0,0|2,0,0]=4 25817 B11R1.176 CC(C)OCCNCC1CC1 34a_100000701111_100000742324 [0,1,0,1,0,0|2,0,0]=4 25818 B11R1.176 CC(C)OCCNCC1CC1 34a_100000735609_100000211751 [0,1,0,1,0,0|2,0,0]=4 25819 B11R1.176 CC(C)OCCOCC1CC1 34a_100000211219_100000742324 [0,1,0,1,0,0|1,0,0]=3 25820 B11R1.176 CC(C)OCCOCC1CC1 34a_100000211283_100000211751 [0,1,0,1,0,0|1,0,0]=3 25821 B11R1.176 CC(C)OCCOCC1CC1 7a_100000211219_100000742324 [0,1,0,1,0,0|1,0,0]=3 25822 B11R1.176 CC(C)OCCOCC1CO1 34a_100000211219_102125554688 [0,1,0,1,0,0|2,0,0]=4 25823 B11R1.176 CC(C)OCCOCC1CO1 7a_100000211219_102125554688 [0,1,0,1,0,0|2,0,0]=4 25824 B11R1.176 CC(C)OCCOCC1CS1 7a_100000211219_100000031435 [0,1,0,1,0,0|2,0,0]=4 25825 B11R1.176 CC(C)OCCOC[C@@H]1CO1 34a_100000757423_100000211751 [0,1,0,1,0,0|2,0,0]=4 25826 B11R1.176 CC(C)OCCOC[C@@H]1CO1 7a_100000211219_100000745022 [0,1,0,1,0,0|2,0,0]=4 25827 B11R1.176 CC(C)OCCSCC1CC1 62a_100000211751_100000742324 [0,1,0,1,0,0|1,1,0]=4 25828 B11R1.176 CC(C)OCCSCC1CC1 62a_100000756562_100000211751 [0,1,0,1,0,0|1,1,0]=4 25829 B11R1.176 CC(C)OCNCCC1CC1 34a_100000764129_100000709892 [0,1,0,1,0,0|2,0,0]=4 25830 B11R1.176 CC(C)OCOCCC1CC1 34a_100000754188_100000709892 [0,1,0,1,0,0|1,0,0]=3 25831 B11R1.176 CC(C)OCOCC[C@@H]1CO1 34a_100009820653_100000709892 [0,1,0,1,0,0|2,0,0]=4 25832 B11R1.176 CC(C)OCSCCC1CC1 62a_100000709892_100000764125 [0,1,0,1,0,0|1,1,0]=4 25833 B11R1.176 CC(C)OCSCCC1CC1 62a_100000764125_100000709892 [0,1,0,1,0,0|1,1,0]=4 25834 B11R1.176 CC(C)SCCNCC1CC1 2230a_100000731138_100000742324 [0,1,0,1,0,0|2,0,0]=4 25835 B11R1.176 CC(C)SCCNCC1CC1 2230a_100000735609_100000730970 [0,1,0,1,0,0|2,0,0]=4 25836 B11R1.176 CC(C)SCCNCC1CC1 269862a_100000731138_100000741477 [0,1,0,1,0,0|2,0,0]=4 25837 B11R1.176 CC(C)SCCNCC1CC1 34a_100000731138_100000742324 [0,1,0,1,0,0|2,0,0]=4 25838 B11R1.176 CC(C)SCCNCC1CC1 34a_100000735609_100000730970 [0,1,0,1,0,0|2,0,0]=4 25839 B11R1.176 CC(C)SCCOCC1CC1 34a_100000211283_100000730970 [0,1,0,1,0,0|1,0,0]=3 25840 B11R1.176 CC(C)SCCOCC1CC1 34a_200011212901_100000742324 [0,1,0,1,0,0|1,0,0]=3 25841 B11R1.176 CC(C)SCCOCC1CC1 7a_200011212901_100000742324 [0,1,0,1,0,0|1,0,0]=3 25842 B11R1.176 CC(C)SCCOCC1CO1 34a_200011212901_102125554688 [0,1,0,1,0,0|2,0,0]=4 25843 B11R1.176 CC(C)SCCOCC1CO1 7a_200011212901_102125554688 [0,1,0,1,0,0|2,0,0]=4 25844 B11R1.176 CC(C)SCCOCC1CS1 7a_200011212901_100000031435 [0,1,0,1,0,0|2,0,0]=4 25845 B11R1.176 CC(C)SCCOC[C@@H]1CO1 34a_100000757423_100000730970 [0,1,0,1,0,0|2,0,0]=4 25846 B11R1.176 CC(C)SCCOC[C@@H]1CO1 7a_200011212901_100000745022 [0,1,0,1,0,0|2,0,0]=4 25847 B11R1.176 CC(C)SCCSCC1CC1 62a_100000730970_100000742324 [0,1,0,1,0,0|1,1,0]=4 25848 B11R1.176 CC(C)SCCSCC1CC1 62a_100000756562_100000730970 [0,1,0,1,0,0|1,1,0]=4 25849 B11R1.176 CC(O)CCCNCC1CC1 2230a_100000735609_200000718107 [0,1,0,1,0,0|1,0,0]=3 25850 B11R1.176 CC(O)CCCNCC1CC1 34a_100000735609_200000718107 [0,1,0,1,0,0|1,0,0]=3 25851 B11R1.176 CC(O)CCCOCC1CC1 34a_100000211283_200000718107 [0,1,0,1,0,0|0,0,0]=2 25852 B11R1.176 CC(O)CCCOC[C@@H]1CO1 34a_100000757423_200000718107 [0,1,0,1,0,0|1,0,0]=3 25853 B11R1.176 CC(O)CCCSCC1CC1 62a_100000756562_200000718107 [0,1,0,1,0,0|0,1,0]=3 25854 B11R1.176 CC(O)CCCSCC1CC1 62a_200000718107_100000742324 [0,1,0,1,0,0|0,1,0]=3 25855 B11R1.176 CC(O)CCCSCC1CO1 62a_102125554688_200000718107 [0,1,0,1,0,0|1,1,0]=4 25856 B11R1.176 CC(O)CCCSCC1CO1 62a_200000718107_102125554688 [0,1,0,1,0,0|1,1,0]=4 25857 B11R1.176 CC(O)CCCSCC1CS1 62a_100000031435_200000718107 [0,1,0,1,0,0|1,1,0]=4 25858 B11R1.176 CC(O)CCCSCC1CS1 62a_200000718107_100000031435 [0,1,0,1,0,0|1,1,0]=4 25859 B11R1.176 CC(O)CCCSC[C@@H]1CO1 62a_100000745022_200000718107 [0,1,0,1,0,0|1,1,0]=4 25860 B11R1.176 CC(O)CCCSC[C@@H]1CO1 62a_200000718107_100000745022 [0,1,0,1,0,0|1,1,0]=4 25861 B11R1.176 CC(O)CCNCCC1CC1 2230a_200000755665_100000694398 [0,1,0,1,0,0|1,0,0]=3 25862 B11R1.176 CC(O)CCNCCC1CC1 34a_100000764129_100012276601 [0,1,0,1,0,0|1,0,0]=3 25863 B11R1.176 CC(O)CCNCCC1CO1 2230a_200000755665_100000732470 [0,1,0,1,0,0|2,0,0]=4 25864 B11R1.176 CC(O)CCOCCC1CC1 34a_100000754188_100012276601 [0,1,0,1,0,0|0,0,0]=2 25865 B11R1.176 CC(O)CCOCCC1CC1 7a_100000754188_100012276601 [0,1,0,1,0,0|0,0,0]=2 25866 B11R1.176 CC(O)CCOCC[C@@H]1CO1 34a_100009820653_100012276601 [0,1,0,1,0,0|1,0,0]=3 25867 B11R1.176 CC(O)CCSCCC1CC1 62a_100000764125_100012276601 [0,1,0,1,0,0|0,1,0]=3 25868 B11R1.176 CC(O)CCSCCC1CC1 62a_100012276601_100000764125 [0,1,0,1,0,0|0,1,0]=3 25869 B11R1.176 CC(O)CCSCCC1CO1 62a_100000732470_100012276601 [0,1,0,1,0,0|1,1,0]=4 25870 B11R1.176 CC(O)CCSCCC1CO1 62a_100012276601_100000732470 [0,1,0,1,0,0|1,1,0]=4 25871 B11R1.176 CN(C)CCCNCC1CC1 269862a_102531767803_100000741477 [0,1,0,1,0,0|2,0,0]=4 25872 B11R1.176 CN(C)CCCSCC1CC1 62a_100000756562_100000757444 [0,1,0,1,0,0|1,1,0]=4 25873 B11R1.176 CN(C)CCOCCC1CC1 7a_100000754188_100000755713 [0,1,0,1,0,0|1,0,0]=3 25874 B11R1.176 CN(C)CCSCCC1CC1 62a_100000764125_100000755713 [0,1,0,1,0,0|1,1,0]=4 25875 B11R1.176 CS(=O)CCCNCC1CC1 2230a_200000753449_100000742324 [0,1,0,1,0,0|2,0,0]=4 25876 B11R1.176 C[C@@H](N)CCOCCC1CC1 34a_100000706166_100000694398 [0,1,0,1,0,0|0,0,0]=2 25877 B11R1.176 C[C@@H](N)CCOCCC1CO1 34a_100000706166_100000732470 [0,1,0,1,0,0|1,0,0]=3 25878 B11R1.176 FC(F)CCOCCC1CC1 34a_100103093639_100000694398 [0,1,0,1,0,0|1,0,0]=3 25879 B11R1.176 FC(F)CCOCCC1CO1 34a_100103093639_100000732470 [0,1,0,1,0,0|2,0,0]=4 25880 B11R1.176 NC(=O)CCCOCC1CC1 34a_100000211283_100102525003 [0,1,0,1,0,0|1,0,1]=4 25881 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000754188_100000731001 [0,1,0,1,0,0|1,0,1]=4 25882 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000757172_100000694398 [0,1,0,1,0,0|1,0,1]=4 25883 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000754188_100000744528 [0,1,0,1,0,0|1,0,1]=4 25884 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000757172_100000764125 [0,1,0,1,0,0|1,0,1]=4 25885 B11R1.176 O=[N+]([O-])CCCOCC1CC1 34a_200000037920_100000742324 [0,1,0,1,0,0|2,0,0]=4 25886 B11R1.191 CCNC1CCCCC1(C)C 269862a_100015525214_100000031690 [0,1,0,1,0,0|2,0,0]=4 25887 B11R1.193 CCCC1CCCC1N(C)C 270004a_100102631434_100000723119 [0,1,0,1,0,0|2,0,0]=4 25888 B11R1.193 CCCN1CCCC1C(C)C 2230a_100000762757_100000210303 [0,1,0,1,0,0|2,0,0]=4 25889 B11R1.193 CCCN1CCCC1C(C)C 269982a_100000762757_100000210303 [0,1,0,1,0,0|2,0,0]=4 25890 B11R1.193 CCCN1CCCC1C(C)C 34a_100000762757_100000210303 [0,1,0,1,0,0|2,0,0]=4 25891 B11R1.233 CC1(CCCN1CCCF)C 2230a_100000761399_100011934791 [0,1,0,1,0,0|2,0,0]=4 25892 B11R1.233 CC1(CCCN1CCCF)C 269982a_100000761399_100011934791 [0,1,0,1,0,0|2,0,0]=4 25893 B11R1.233 CC1(CCCN1CCCF)C 34a_100000761399_100011934791 [0,1,0,1,0,0|2,0,0]=4 25894 B11R1.233 CC1(CCCN1CCCO)C 2230a_100000761399_100000230001 [0,1,0,1,0,0|2,0,0]=4 25895 B11R1.233 CC1(CCCN1CCCO)C 269982a_100000761399_100011215043 [0,1,0,1,0,0|2,0,0]=4 25896 B11R1.233 CC1(CCCN1CCCO)C 34a_100000761399_100000230001 [0,1,0,1,0,0|2,0,0]=4 25897 B11R1.233 CC1(CCCN1CCN[13CH3])C 2230a_100015204988_200025704644 [0,1,0,1,0,0|2,0,0]=4 25898 B11R1.233 CCCCN1CCCC1(C)C 2230a_100000761399_100000210211 [0,1,0,1,0,0|1,0,0]=3 25899 B11R1.233 CCCCN1CCCC1(C)C 269982a_100000761399_100000210211 [0,1,0,1,0,0|1,0,0]=3 25900 B11R1.233 CCCCN1CCCC1(C)C 34a_100000761399_100000210210 [0,1,0,1,0,0|1,0,0]=3 25901 B11R1.233 CCCCN1CCSC1(C)C 2230a_100011217261_100000210211 [0,1,0,1,0,0|2,0,0]=4 25902 B11R1.233 CCCCN1CCSC1(C)C 269982a_100011217261_100000210211 [0,1,0,1,0,0|2,0,0]=4 25903 B11R1.233 CCCCN1CCSC1(C)C 34a_100011217261_100000210210 [0,1,0,1,0,0|2,0,0]=4 25904 B11R1.233 CCCCN1COCC1(C)C 2230a_100000043020_100000210211 [0,1,0,1,0,0|2,0,0]=4 25905 B11R1.233 CCCCN1COCC1(C)C 269982a_100000043020_100000210211 [0,1,0,1,0,0|2,0,0]=4 25906 B11R1.233 CCCNC1CCCC1(C)C 269862a_100020643023_100000065263 [0,1,0,1,0,0|2,0,0]=4 25907 B11R1.233 CCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210303 [0,1,0,1,0,0|2,0,0]=4 25908 B11R1.233 CCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210303 [0,1,0,1,0,0|2,0,0]=4 25909 B11R1.233 CCCOC1CCCC1(C)C 34a_100000726220_100000210303 [0,1,0,1,0,0|2,0,0]=4 25910 B11R1.233 CCCOC1CCCC1(C)C 7a_100000726220_100000210303 [0,1,0,1,0,0|2,0,0]=4 25911 B11R1.233 CCOCN1CCCC1(C)C 269982a_100000761399_100000739092 [0,1,0,1,0,0|2,0,0]=4 25912 B11R1.233 CNCCN1CCCC1(C)C 2230a_100015204988_200000210301 [0,1,0,1,0,0|2,0,0]=4 25913 B11R1.233 COCCN1CCCC1(C)C 2230a_100000761399_100011201679 [0,1,0,1,0,0|2,0,0]=4 25914 B11R1.233 COCCN1CCCC1(C)C 269982a_100000761399_100000233755 [0,1,0,1,0,0|2,0,0]=4 25915 B11R1.233 COCCN1CCCC1(C)C 34a_100000761399_100011201679 [0,1,0,1,0,0|2,0,0]=4 25916 B11R1.233 CSCCN1CCCC1(C)C 2230a_100000761399_100000751147 [0,1,0,1,0,0|2,0,0]=4 25917 B11R1.233 CSCCN1CCCC1(C)C 269982a_100000761399_100000212216 [0,1,0,1,0,0|2,0,0]=4 25918 B11R1.233 CSCCN1CCCC1(C)C 34a_100000761399_100000212216 [0,1,0,1,0,0|2,0,0]=4 25919 B11R1.706 CC(C)N1CCCCCCC1 2230a_100000211400_100000210206 [0,1,0,1,0,0|2,0,0]=4 25920 B11R1.706 CC(C)N1CCCCCCC1 269982a_100000211400_100000210206 [0,1,0,1,0,0|2,0,0]=4 25921 B11R1.706 CC(C)N1CCCCCCC1 34a_100000211400_100000210206 [0,1,0,1,0,0|2,0,0]=4 25922 B11R1.706 CN(C)C1CCCCCCC1 270004a_100102631434_100000210524 [0,1,0,1,0,0|2,0,0]=4 25923 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,1,0,1,0,0|1,0,1]=4 25924 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,1,0,1,0,0|1,0,1]=4 25925 B11R1.742 CC(C)CN1CCCCCC1 2230a_100000185865_100000210760 [0,1,0,1,0,0|2,0,0]=4 25926 B11R1.742 CC(C)CN1CCCCCC1 269982a_100000185865_100000210624 [0,1,0,1,0,0|2,0,0]=4 25927 B11R1.742 CC(C)CN1CCCCCC1 270004a_100000185865_100000210432 [0,1,0,1,0,0|2,0,0]=4 25928 B11R1.742 CC(C)CN1CCCCCC1 34a_100000185865_100000210624 [0,1,0,1,0,0|2,0,0]=4 25929 B11R1.742 CC(C)NC1CCCCCC1 2230a_100000210984_100000210206 [0,1,0,1,0,0|2,0,0]=4 25930 B11R1.742 CC(C)NC1CCCCCC1 34a_100000210984_100000210206 [0,1,0,1,0,0|2,0,0]=4 25931 B11R1.742 CC(C)NC1CCCCCC1 34a_100138425928_100011217769 [0,1,0,1,0,0|2,0,0]=4 25932 B11R1.742 CC(C)OC1CCCCCC1 34a_100000210887_100000210206 [0,1,0,1,0,0|2,0,0]=4 25933 B11R1.742 CC(C)OC1CCCCCC1 34a_100000212225_100011217769 [0,1,0,1,0,0|2,0,0]=4 25934 B11R1.742 CC(C)OC1CCCCCC1 7a_100000210887_100000210206 [0,1,0,1,0,0|2,0,0]=4 25935 B11R1.742 CC(C)SC1CCCCCC1 62a_100000210206_100011217769 [0,1,0,1,0,0|2,0,0]=4 25936 B11R1.742 CC(C)SC1CCCCCC1 62a_100011217769_100000210206 [0,1,0,1,0,0|2,0,0]=4 25937 B11R1.742 CC(O)CN1CCCCCC1 2230a_100000185865_100011218427 [0,1,0,1,0,0|2,0,0]=4 25938 B11R1.742 CC(O)CN1CCCCCC1 269982a_100000185865_100011218427 [0,1,0,1,0,0|2,0,0]=4 25939 B11R1.742 CC(O)CN1CCCCCC1 34a_100000185865_100011218427 [0,1,0,1,0,0|2,0,0]=4 25940 B11R1.742 CN(C)CC1CCCCCC1 2230a_100102631434_200000696569 [0,1,0,1,0,0|2,0,0]=4 25941 B11R1.742 CN(C)CC1CCCCCC1 269982a_100102631434_200000696569 [0,1,0,1,0,0|2,0,0]=4 25942 B11R1.742 C[C@@H](O)CN1CCCCCC1 2230a_100000185865_100009817552 [0,1,0,1,0,0|2,0,0]=4 25943 B11R1.742 C[C@@H](O)CN1CCCCCC1 269982a_100000185865_100009817552 [0,1,0,1,0,0|2,0,0]=4 25944 B11R1.742 C[C@@H](O)CN1CCCCCC1 34a_100000185865_100009817552 [0,1,0,1,0,0|2,0,0]=4 25945 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,1,0,1,0,0|1,0,1]=4 25946 B11R1.898 C#CCCOCC1CC1(C)C 34a_100000728257_100000688953 [0,1,0,1,0,0|0,0,2]=4 25947 B11R1.898 C#CCCOCC1CC1(C)C 7a_100000728257_100000688953 [0,1,0,1,0,0|0,0,2]=4 25948 B11R1.898 C/C=C/COCC1CC1(C)C 34a_100000728257_100102629194 [0,1,0,1,0,0|0,0,2]=4 25949 B11R1.898 C/C=C/COCC1CC1(C)C 7a_100000728257_100102629194 [0,1,0,1,0,0|0,0,2]=4 25950 B11R1.898 C=CCCOCC1CC1(C)C 34a_100000728257_100000754431 [0,1,0,1,0,0|0,0,2]=4 25951 B11R1.898 C=CCCOCC1CC1(C)C 7a_100000728257_100000754431 [0,1,0,1,0,0|0,0,2]=4 25952 B11R1.898 CC#CCOCC1CC1(C)C 34a_100000728257_100000748600 [0,1,0,1,0,0|0,0,2]=4 25953 B11R1.898 CC#CCOCC1CC1(C)C 7a_100000728257_100000748600 [0,1,0,1,0,0|0,0,2]=4 25954 B11R1.898 CC1(CC1COCCC#N)C 7a_100000728257_100000184422 [0,1,0,1,0,0|1,0,1]=4 25955 B11R1.898 CC1(CC1COCCCF)C 34a_100000728257_100011934791 [0,1,0,1,0,0|1,0,0]=3 25956 B11R1.898 CC1(CC1COCCCF)C 7a_100000728257_100011934791 [0,1,0,1,0,0|1,0,0]=3 25957 B11R1.898 CC1(CC1COCCCO)C 34a_100000728257_100000230001 [0,1,0,1,0,0|1,0,0]=3 25958 B11R1.898 CC1(CC1COCCCO)C 7a_100000728257_100011215043 [0,1,0,1,0,0|1,0,0]=3 25959 B11R1.898 CC1(OC1COCCCF)C 34a_200010283642_100011934791 [0,1,0,1,0,0|2,0,0]=4 25960 B11R1.898 CC1(OC1COCCCF)C 7a_200010283642_100011934791 [0,1,0,1,0,0|2,0,0]=4 25961 B11R1.898 CC1(OC1COCCCO)C 34a_200010283642_100000230001 [0,1,0,1,0,0|2,0,0]=4 25962 B11R1.898 CC1(OC1COCCCO)C 7a_200010283642_100011215043 [0,1,0,1,0,0|2,0,0]=4 25963 B11R1.898 CC=CCOCC1CC1(C)C 34a_100000728257_100000070051 [0,1,0,1,0,0|0,0,2]=4 25964 B11R1.898 CC=CCOCC1CC1(C)C 7a_100000728257_100000070051 [0,1,0,1,0,0|0,0,2]=4 25965 B11R1.898 CCCCCNC1CC1(F)F 2230a_100020610826_100000210326 [0,1,0,1,0,0|2,0,0]=4 25966 B11R1.898 CCCCCNC1CC1(F)F 34a_100020610826_100000718602 [0,1,0,1,0,0|2,0,0]=4 25967 B11R1.898 CCCCNCC1CC1(F)F 2230a_100000102301_100009817841 [0,1,0,1,0,0|2,0,0]=4 25968 B11R1.898 CCCCNCC1CC1(F)F 7a_106832991798_100009817841 [0,1,0,1,0,0|2,0,0]=4 25969 B11R1.898 CCCCOCC1CC1(C)C 34a_100000728257_100000210210 [0,1,0,1,0,0|0,0,0]=2 25970 B11R1.898 CCCCOCC1CC1(C)C 7a_100000728257_100000210211 [0,1,0,1,0,0|0,0,0]=2 25971 B11R1.898 CCCCOCC1CC1(F)F 34a_100000056500_100000210210 [0,1,0,1,0,0|1,0,0]=3 25972 B11R1.898 CCCCOCC1CC1(F)F 34a_100000210227_100009817841 [0,1,0,1,0,0|1,0,0]=3 25973 B11R1.898 CCCCOCC1CC1(F)F 7a_100000056500_100000210211 [0,1,0,1,0,0|1,0,0]=3 25974 B11R1.898 CCCCOCC1CC1(F)F 7a_100000210227_100009817841 [0,1,0,1,0,0|1,0,0]=3 25975 B11R1.898 CCCCOCC1OC1(C)C 34a_200010283642_100000210210 [0,1,0,1,0,0|1,0,0]=3 25976 B11R1.898 CCCCOCC1OC1(C)C 7a_200010283642_100000210211 [0,1,0,1,0,0|1,0,0]=3 25977 B11R1.898 CCCCSCC1CC1(F)F 62a_100000210211_100009817841 [0,1,0,1,0,0|1,1,0]=4 25978 B11R1.898 CCCCSCC1CC1(F)F 62a_100009817841_100000210210 [0,1,0,1,0,0|1,1,0]=4 25979 B11R1.898 COCCOCC1CC1(C)C 34a_100000728257_100011201679 [0,1,0,1,0,0|1,0,0]=3 25980 B11R1.898 COCCOCC1CC1(C)C 7a_100000728257_100000233755 [0,1,0,1,0,0|1,0,0]=3 25981 B11R1.898 COCCOCC1CC1(F)F 34a_100000056500_100011201679 [0,1,0,1,0,0|2,0,0]=4 25982 B11R1.898 COCCOCC1CC1(F)F 34a_100000210237_100009817841 [0,1,0,1,0,0|2,0,0]=4 25983 B11R1.898 COCCOCC1CC1(F)F 7a_100000056500_100000233755 [0,1,0,1,0,0|2,0,0]=4 25984 B11R1.898 COCCOCC1OC1(C)C 34a_200010283642_100011201679 [0,1,0,1,0,0|2,0,0]=4 25985 B11R1.898 COCCOCC1OC1(C)C 7a_200010283642_100000233755 [0,1,0,1,0,0|2,0,0]=4 25986 B11R1.898 CSCCOCC1CC1(C)C 34a_100000728257_100000212216 [0,1,0,1,0,0|1,0,0]=3 25987 B11R1.898 CSCCOCC1CC1(C)C 7a_100000728257_100000212216 [0,1,0,1,0,0|1,0,0]=3 25988 B11R1.898 CSCCOCC1CC1(F)F 34a_100000056500_100000212216 [0,1,0,1,0,0|2,0,0]=4 25989 B11R1.898 CSCCOCC1CC1(F)F 34a_100000230434_100009817841 [0,1,0,1,0,0|2,0,0]=4 25990 B11R1.898 CSCCOCC1CC1(F)F 7a_100000056500_100000212216 [0,1,0,1,0,0|2,0,0]=4 25991 B11R1.898 CSCCOCC1CC1(F)F 7a_100000230434_100009817841 [0,1,0,1,0,0|2,0,0]=4 25992 B11R1.898 CSCCOCC1OC1(C)C 34a_200010283642_100000212216 [0,1,0,1,0,0|2,0,0]=4 25993 B11R1.898 CSCCOCC1OC1(C)C 7a_200010283642_100000212216 [0,1,0,1,0,0|2,0,0]=4 25994 B11R1.898 FC1(CC1COCCCBr)F 34a_100011217188_100009817841 [0,1,0,1,0,0|2,0,0]=4 25995 B11R1.898 FC1(CC1COCCCCl)F 34a_100000230001_100009817841 [0,1,0,1,0,0|2,0,0]=4 25996 B11R1.898 FCCCOCC1CC1(F)F 34a_100000056500_100011934791 [0,1,0,1,0,0|2,0,0]=4 25997 B11R1.898 FCCCOCC1CC1(F)F 34a_100000759539_100009817841 [0,1,0,1,0,0|2,0,0]=4 25998 B11R1.898 FCCCOCC1CC1(F)F 7a_100000056500_100011934791 [0,1,0,1,0,0|2,0,0]=4 25999 B11R1.898 NCCCOCC1CC1(F)F 34a_100000182051_100009817841 [0,1,0,1,0,0|2,0,0]=4 26000 B11R1.898 OCCCOCC1CC1(F)F 34a_100000056500_100000230001 [0,1,0,1,0,0|2,0,0]=4 26001 B11R1.898 OCCCOCC1CC1(F)F 7a_100000056500_100011215043 [0,1,0,1,0,0|2,0,0]=4 26002 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [0,1,0,1,0,0|2,0,0]=4 26003 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [0,1,0,1,0,0|2,0,0]=4 26004 B11R1.17 CC1CCCCC1NCCF 2230a_100000211402_100011217306 [0,1,0,1,0,0|2,0,0]=4 26005 B11R1.17 CC1CCCCC1NCCF 269862a_100000724931_100000210921 [0,1,0,1,0,0|2,0,0]=4 26006 B11R1.17 CC1CCCCC1NCCF 34a_100000211402_100011217306 [0,1,0,1,0,0|2,0,0]=4 26007 B11R1.17 CC1CCCCC1NCCO 2230a_100000211402_100000211926 [0,1,0,1,0,0|2,0,0]=4 26008 B11R1.17 CC1CCCCC1NCCO 269862a_100000210304_100000210921 [0,1,0,1,0,0|2,0,0]=4 26009 B11R1.17 CC1CCCCC1NCCO 270004a_100000210304_100000210921 [0,1,0,1,0,0|2,0,0]=4 26010 B11R1.17 CC1CCCCC1NCCO 34a_100000211402_100000211926 [0,1,0,1,0,0|2,0,0]=4 26011 B11R1.17 CC1CCCCC1OCCF 34a_100000211207_100011217306 [0,1,0,1,0,0|2,0,0]=4 26012 B11R1.17 CC1CCCCC1OCCF 7a_100000211207_100011217306 [0,1,0,1,0,0|2,0,0]=4 26013 B11R1.17 CC1CCCCC1OCCO 34a_100000211207_100000211926 [0,1,0,1,0,0|2,0,0]=4 26014 B11R1.17 CC1CCCCC1OCCO 7a_100000211207_100000211926 [0,1,0,1,0,0|2,0,0]=4 26015 B11R1.17 CC1CCCCN1CCCF 2230a_100000211376_100011934791 [0,1,0,1,0,0|2,0,0]=4 26016 B11R1.17 CC1CCCCN1CCCF 269982a_100000211376_100011934791 [0,1,0,1,0,0|2,0,0]=4 26017 B11R1.17 CC1CCCCN1CCCF 34a_100000211376_100011934791 [0,1,0,1,0,0|2,0,0]=4 26018 B11R1.17 CC1CCCCN1CCCO 2230a_100000211376_100000230001 [0,1,0,1,0,0|2,0,0]=4 26019 B11R1.17 CC1CCCCN1CCCO 269982a_100000211376_100011215043 [0,1,0,1,0,0|2,0,0]=4 26020 B11R1.17 CC1CCCCN1CCCO 34a_100000211376_100000230001 [0,1,0,1,0,0|2,0,0]=4 26021 B11R1.17 CC1CCCCN1CCN[13CH3] 2230a_100000739827_200025704644 [0,1,0,1,0,0|2,0,0]=4 26022 B11R1.17 CC1CCCCN1CCN[13CH3] 34a_100000739827_200025704644 [0,1,0,1,0,0|2,0,0]=4 26023 B11R1.17 CC1CCCCN1CCO[13CH3] 34a_100011305533_200025704644 [0,1,0,1,0,0|2,0,0]=4 26024 B11R1.17 CC1CCNCC1OCCF 34a_100000696640_100011217306 [0,1,0,1,0,0|2,0,0]=4 26025 B11R1.17 CC1CCNCC1OCCO 34a_100000696640_100000211926 [0,1,0,1,0,0|2,0,0]=4 26026 B11R1.17 CCCCN1CCCCC1C 2230a_100000211376_100000210211 [0,1,0,1,0,0|1,0,0]=3 26027 B11R1.17 CCCCN1CCCCC1C 269982a_100000211376_100000210211 [0,1,0,1,0,0|1,0,0]=3 26028 B11R1.17 CCCCN1CCCCC1C 34a_100000211376_100000210210 [0,1,0,1,0,0|1,0,0]=3 26029 B11R1.17 CCCCN1CCOC[C@@H]1C 2230a_100009815349_100000210211 [0,1,0,1,0,0|1,0,0]=3 26030 B11R1.17 CCCCN1CCOC[C@@H]1C 269982a_100009815349_100000210211 [0,1,0,1,0,0|1,0,0]=3 26031 B11R1.17 CCCCN1CCOC[C@@H]1C 34a_100009815349_100000210210 [0,1,0,1,0,0|1,0,0]=3 26032 B11R1.17 CCCNC1CCCCC1C 2230a_100000211402_100000210303 [0,1,0,1,0,0|1,0,0]=3 26033 B11R1.17 CCCNC1CCCCC1C 269862a_100020643023_100000210921 [0,1,0,1,0,0|1,0,0]=3 26034 B11R1.17 CCCNC1CCCCC1C 270004a_100020643023_100000210921 [0,1,0,1,0,0|1,0,0]=3 26035 B11R1.17 CCCNC1CCCCC1C 34a_100000211402_100000210303 [0,1,0,1,0,0|1,0,0]=3 26036 B11R1.17 CCCNC1CCNCC1C 270004a_100020643023_100000703950 [0,1,0,1,0,0|2,0,0]=4 26037 B11R1.17 CCCNC1CCOCC1C 270004a_100020643023_100000755695 [0,1,0,1,0,0|2,0,0]=4 26038 B11R1.17 CCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210303 [0,1,0,1,0,0|2,0,0]=4 26039 B11R1.17 CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210303 [0,1,0,1,0,0|2,0,0]=4 26040 B11R1.17 CCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210303 [0,1,0,1,0,0|1,0,0]=3 26041 B11R1.17 CCCOC1CCCCC1=O 34a_100000210258_100000754470 [0,1,0,1,0,0|2,0,0]=4 26042 B11R1.17 CCCOC1CCCCC1=O 34a_100011214950_100000210303 [0,1,0,1,0,0|2,0,0]=4 26043 B11R1.17 CCCOC1CCCCC1C 34a_100000211207_100000210303 [0,1,0,1,0,0|1,0,0]=3 26044 B11R1.17 CCCOC1CCCCC1C 7a_100000211207_100000210303 [0,1,0,1,0,0|1,0,0]=3 26045 B11R1.17 CCCOC1CCCCC1Cl 34a_100000038908_100000210303 [0,1,0,1,0,0|2,0,0]=4 26046 B11R1.17 CCCOC1CCCCC1Cl 7a_100000038908_100000210303 [0,1,0,1,0,0|2,0,0]=4 26047 B11R1.17 CCCOC1CCCCC1F 34a_100000210258_100015423560 [0,1,0,1,0,0|2,0,0]=4 26048 B11R1.17 CCCOC1CCCCC1O 34a_100000210258_100000038908 [0,1,0,1,0,0|2,0,0]=4 26049 B11R1.17 CCCOC1CCNCC1C 34a_100011998114_100000210303 [0,1,0,1,0,0|2,0,0]=4 26050 B11R1.17 CCCOC1CNCCC1C 34a_100000696640_100000210303 [0,1,0,1,0,0|1,0,0]=3 26051 B11R1.17 CCCOC1COCCC1=O 34a_100000210258_100012180262 [0,1,0,1,0,0|1,0,1]=4 26052 B11R1.17 CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210303 [0,1,0,1,0,0|2,0,0]=4 26053 B11R1.17 CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210303 [0,1,0,1,0,0|2,0,0]=4 26054 B11R1.17 CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210303 [0,1,0,1,0,0|2,0,0]=4 26055 B11R1.17 CCCO[C@H]1COCC[C@H]1N 34a_100016994285_100000210303 [0,1,0,1,0,0|1,0,0]=3 26056 B11R1.17 CCCSC1CCCCC1=O 62a_100000204591_100000210303 [0,1,0,1,0,0|2,0,0]=4 26057 B11R1.17 CCCSC1CCCCC1=O 62a_100000210303_100000204591 [0,1,0,1,0,0|2,0,0]=4 26058 B11R1.17 CCCSC1CCCCC1F 62a_100000210303_100015423560 [0,1,0,1,0,0|2,0,0]=4 26059 B11R1.17 CCCSC1CCCCC1F 62a_100015423560_100000210303 [0,1,0,1,0,0|2,0,0]=4 26060 B11R1.17 CCCSC1CCCCC1O 62a_100000038908_100000210303 [0,1,0,1,0,0|2,0,0]=4 26061 B11R1.17 CCCSC1CCCCC1O 62a_100000210303_100000038908 [0,1,0,1,0,0|2,0,0]=4 26062 B11R1.17 CCCSC1COCCC1=O 62a_100000210303_100012180262 [0,1,0,1,0,0|1,0,1]=4 26063 B11R1.17 CCCSC1COCCC1=O 62a_100012180262_100000210303 [0,1,0,1,0,0|1,0,1]=4 26064 B11R1.17 CCNCC1CC=CCC1C 269862a_100015525214_100000117039 [0,1,0,1,0,0|1,0,1]=4 26065 B11R1.17 CCNCC1CC=CCC1C 270004a_100015525214_100000117039 [0,1,0,1,0,0|1,0,1]=4 26066 B11R1.17 CCNCC1CCCCC1O 34a_100011216029_100000210202 [0,1,0,1,0,0|2,0,0]=4 26067 B11R1.17 CCNCC1CCCCN1C 34a_100011228421_100000210202 [0,1,0,1,0,0|2,0,0]=4 26068 B11R1.17 CCOCC1CC=CCC1C 34a_100000211322_100000210202 [0,1,0,1,0,0|1,0,1]=4 26069 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [0,1,0,1,0,0|2,0,0]=4 26070 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [0,1,0,1,0,0|2,0,0]=4 26071 B11R1.17 CCOCC1CCCCN1C 34a_100000225079_100000210202 [0,1,0,1,0,0|2,0,0]=4 26072 B11R1.17 CCOCC1CCCCN1C 34a_100121572206_100015186950 [0,1,0,1,0,0|2,0,0]=4 26073 B11R1.17 CCOCC1COCCC1N 34a_214813039666_100000210202 [0,1,0,1,0,0|1,0,0]=3 26074 B11R1.17 CCOCC1COCCN1C 34a_100013547906_100000210202 [0,1,0,1,0,0|1,0,0]=3 26075 B11R1.17 CCOCN1CCCCC1C 269982a_100000211376_100000739092 [0,1,0,1,0,0|2,0,0]=4 26076 B11R1.17 CCOCN1CCOC[C@@H]1C 269982a_100009815349_100000739092 [0,1,0,1,0,0|2,0,0]=4 26077 B11R1.17 CCSCC1CCCCN1C 62a_100000210202_100015185383 [0,1,0,1,0,0|2,0,0]=4 26078 B11R1.17 CCSCC1CCCCN1C 62a_100015185383_100000210202 [0,1,0,1,0,0|2,0,0]=4 26079 B11R1.17 CN1CCCCC1CCCO 2230a_100011934581_200000210301 [0,1,0,1,0,0|2,0,0]=4 26080 B11R1.17 CN1CCCCC1CCCO 269982a_100011934581_200000210301 [0,1,0,1,0,0|2,0,0]=4 26081 B11R1.17 CN1CCCCC1CCCO 34a_100011934581_200000210301 [0,1,0,1,0,0|2,0,0]=4 26082 B11R1.17 CN1CCCCC1CCS[13CH3] 62a_100000211948_200025704644 [0,1,0,1,0,0|2,0,0]=4 26083 B11R1.17 CN1CCCCC1CCS[13CH3] 62a_200025704644_100000211948 [0,1,0,1,0,0|2,0,0]=4 26084 B11R1.17 CN1CCOCC1COCF 34a_100013547906_100015361967 [0,1,0,1,0,0|2,0,0]=4 26085 B11R1.17 CNCCC1CCCCN1C 2230a_106832991635_100000211948 [0,1,0,1,0,0|2,0,0]=4 26086 B11R1.17 CNCCC1CCCCN1C 34a_100102657272_100000211948 [0,1,0,1,0,0|2,0,0]=4 26087 B11R1.17 CNCCC1CCCCN1C 7a_106832991635_100000211948 [0,1,0,1,0,0|2,0,0]=4 26088 B11R1.17 CNCCN1CCCCC1C 2230a_100000739827_200000210301 [0,1,0,1,0,0|2,0,0]=4 26089 B11R1.17 CNCCN1CCCCC1C 34a_100000739827_200000210301 [0,1,0,1,0,0|2,0,0]=4 26090 B11R1.17 COCCC1CCCCN1C 2230a_100015186528_200000210301 [0,1,0,1,0,0|2,0,0]=4 26091 B11R1.17 COCCC1CCCCN1C 269982a_100015186528_200000210301 [0,1,0,1,0,0|2,0,0]=4 26092 B11R1.17 COCCC1CCCCN1C 34a_100015186528_200000210301 [0,1,0,1,0,0|2,0,0]=4 26093 B11R1.17 COCCC1CCCCN1C 34a_100138415774_100000211948 [0,1,0,1,0,0|2,0,0]=4 26094 B11R1.17 COCCC1CCCCN1[13CH3] 2230a_100015186528_200025704644 [0,1,0,1,0,0|2,0,0]=4 26095 B11R1.17 COCCC1CCCCN1[13CH3] 269982a_100015186528_200025704644 [0,1,0,1,0,0|2,0,0]=4 26096 B11R1.17 COCCC1CCCCN1[13CH3] 34a_100015186528_200025704644 [0,1,0,1,0,0|2,0,0]=4 26097 B11R1.17 COCCN1CCCCC1C 2230a_100000211376_100011201679 [0,1,0,1,0,0|2,0,0]=4 26098 B11R1.17 COCCN1CCCCC1C 269982a_100000211376_100000233755 [0,1,0,1,0,0|2,0,0]=4 26099 B11R1.17 COCCN1CCCCC1C 34a_100000211376_100011201679 [0,1,0,1,0,0|2,0,0]=4 26100 B11R1.17 COCCN1CCCCC1C 34a_100011305533_200000210301 [0,1,0,1,0,0|2,0,0]=4 26101 B11R1.17 COCCN1CCOC[C@@H]1C 2230a_100009815349_100011201679 [0,1,0,1,0,0|2,0,0]=4 26102 B11R1.17 COCCN1CCOC[C@@H]1C 269982a_100009815349_100000233755 [0,1,0,1,0,0|2,0,0]=4 26103 B11R1.17 COCCN1CCOC[C@@H]1C 34a_100009815349_100011201679 [0,1,0,1,0,0|2,0,0]=4 26104 B11R1.17 COCNC1CCCCC1C 2230a_100000211402_100000766300 [0,1,0,1,0,0|2,0,0]=4 26105 B11R1.17 COCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000766300 [0,1,0,1,0,0|2,0,0]=4 26106 B11R1.17 CSCCC1CCCCN1C 62a_100000211948_200000210301 [0,1,0,1,0,0|2,0,0]=4 26107 B11R1.17 CSCCC1CCCCN1C 62a_200000210301_100000211948 [0,1,0,1,0,0|2,0,0]=4 26108 B11R1.17 CSCCN1CCCCC1C 2230a_100000211376_100000751147 [0,1,0,1,0,0|2,0,0]=4 26109 B11R1.17 CSCCN1CCCCC1C 269982a_100000211376_100000212216 [0,1,0,1,0,0|2,0,0]=4 26110 B11R1.17 CSCCN1CCCCC1C 34a_100000211376_100000212216 [0,1,0,1,0,0|2,0,0]=4 26111 B11R1.17 CSCCN1CCOC[C@@H]1C 2230a_100009815349_100000751147 [0,1,0,1,0,0|2,0,0]=4 26112 B11R1.17 CSCCN1CCOC[C@@H]1C 269982a_100009815349_100000212216 [0,1,0,1,0,0|2,0,0]=4 26113 B11R1.17 CSCCN1CCOC[C@@H]1C 34a_100009815349_100000212216 [0,1,0,1,0,0|2,0,0]=4 26114 B11R1.17 CSCNC1CCCCC1C 2230a_100000211402_100011218213 [0,1,0,1,0,0|2,0,0]=4 26115 B11R1.17 CSCNC1CCCCC1C 34a_100000211402_100011218213 [0,1,0,1,0,0|2,0,0]=4 26116 B11R1.17 CSCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100011218213 [0,1,0,1,0,0|2,0,0]=4 26117 B11R1.17 CSCOC1CCCCC1C 34a_100000211207_100011218213 [0,1,0,1,0,0|2,0,0]=4 26118 B11R1.17 CSCOC1CNCCC1C 34a_100000696640_100011218213 [0,1,0,1,0,0|2,0,0]=4 26119 B11R1.17 CSCO[C@H]1COCC[C@H]1N 34a_100016994285_100011218213 [0,1,0,1,0,0|2,0,0]=4 26120 B11R1.17 C[C@H]1COCCN1CCCF 2230a_100009815349_100011934791 [0,1,0,1,0,0|2,0,0]=4 26121 B11R1.17 C[C@H]1COCCN1CCCF 269982a_100009815349_100011934791 [0,1,0,1,0,0|2,0,0]=4 26122 B11R1.17 C[C@H]1COCCN1CCCF 34a_100009815349_100011934791 [0,1,0,1,0,0|2,0,0]=4 26123 B11R1.17 C[C@H]1COCCN1CCCO 2230a_100009815349_100000230001 [0,1,0,1,0,0|2,0,0]=4 26124 B11R1.17 C[C@H]1COCCN1CCCO 269982a_100009815349_100011215043 [0,1,0,1,0,0|2,0,0]=4 26125 B11R1.17 C[C@H]1COCCN1CCCO 34a_100009815349_100000230001 [0,1,0,1,0,0|2,0,0]=4 26126 B11R1.17 NC1CCOCC1COCF 34a_214813039666_100015361967 [0,1,0,1,0,0|2,0,0]=4 26127 B11R1.17 N[C@@H]1CCOC[C@@H]1OCCF 34a_100016994285_100011217306 [0,1,0,1,0,0|2,0,0]=4 26128 B11R1.17 N[C@@H]1CCOC[C@@H]1OCCO 34a_100016994285_100000211926 [0,1,0,1,0,0|2,0,0]=4 26129 B11R1.17 OCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000211926 [0,1,0,1,0,0|2,0,0]=4 26130 B11R1.17 O[C@H]1CCOC[C@@H]1NCCF 2230a_100015739063_100011217306 [0,1,0,1,0,0|2,0,0]=4 26131 B11R1.17 [13CH3]N1CCCCC1CCCO 2230a_100011934581_200025704644 [0,1,0,1,0,0|2,0,0]=4 26132 B11R1.17 [13CH3]N1CCCCC1CCCO 269982a_100011934581_200025704644 [0,1,0,1,0,0|2,0,0]=4 26133 B11R1.17 [13CH3]N1CCCCC1CCCO 34a_100011934581_200025704644 [0,1,0,1,0,0|2,0,0]=4 26134 B11R1.18 CCC1CCCC1NCCF 269862a_100000724931_100000749056 [0,1,0,1,0,0|2,0,0]=4 26135 B11R1.18 CCC1CCCC1NCCO 269862a_100000210304_100000749056 [0,1,0,1,0,0|2,0,0]=4 26136 B11R1.18 CCC1CCCC1NCCO 270004a_100000210304_100000749056 [0,1,0,1,0,0|2,0,0]=4 26137 B11R1.18 CCC1CCCN1CCCF 2230a_100000754278_100011934791 [0,1,0,1,0,0|2,0,0]=4 26138 B11R1.18 CCC1CCCN1CCCF 269982a_100000754278_100011934791 [0,1,0,1,0,0|2,0,0]=4 26139 B11R1.18 CCC1CCCN1CCCF 34a_100000754278_100011934791 [0,1,0,1,0,0|2,0,0]=4 26140 B11R1.18 CCC1CCCN1CCCO 2230a_100000754278_100000230001 [0,1,0,1,0,0|2,0,0]=4 26141 B11R1.18 CCC1CCCN1CCCO 269982a_100000754278_100011215043 [0,1,0,1,0,0|2,0,0]=4 26142 B11R1.18 CCC1CCCN1CCCO 34a_100000754278_100000230001 [0,1,0,1,0,0|2,0,0]=4 26143 B11R1.18 CCC1CCCN1CCOC 2230a_100000754278_100011201679 [0,1,0,1,0,0|2,0,0]=4 26144 B11R1.18 CCC1CCCN1CCOC 269982a_100000754278_100000233755 [0,1,0,1,0,0|2,0,0]=4 26145 B11R1.18 CCC1CCCN1CCOC 34a_100000754278_100011201679 [0,1,0,1,0,0|2,0,0]=4 26146 B11R1.18 CCC1CCCN1CCSC 2230a_100000754278_100000751147 [0,1,0,1,0,0|2,0,0]=4 26147 B11R1.18 CCC1CCCN1CCSC 269982a_100000754278_100000212216 [0,1,0,1,0,0|2,0,0]=4 26148 B11R1.18 CCC1CCCN1CCSC 34a_100000754278_100000212216 [0,1,0,1,0,0|2,0,0]=4 26149 B11R1.18 CCCCC1C=CCN1CC 2230a_100015184376_100000210202 [0,1,0,1,0,0|1,0,1]=4 26150 B11R1.18 CCCCC1C=CCN1CC 269982a_100015184376_100000204670 [0,1,0,1,0,0|1,0,1]=4 26151 B11R1.18 CCCCC1C=CCN1CC 34a_100015184376_100000210202 [0,1,0,1,0,0|1,0,1]=4 26152 B11R1.18 CCCCC1CCCC1NC 269862a_106832991636_100000750825 [0,1,0,1,0,0|1,0,0]=3 26153 B11R1.18 CCCCC1CCCC1NC 270004a_106832991635_100000750825 [0,1,0,1,0,0|1,0,0]=3 26154 B11R1.18 CCCCN1CC=CC1CC 2230a_100000730860_100000210211 [0,1,0,1,0,0|1,0,1]=4 26155 B11R1.18 CCCCN1CC=CC1CC 269982a_100000730860_100000210211 [0,1,0,1,0,0|1,0,1]=4 26156 B11R1.18 CCCCN1CC=CC1CC 34a_100000730860_100000210210 [0,1,0,1,0,0|1,0,1]=4 26157 B11R1.18 CCCCN1CCCC1C#N 2230a_100000701862_100000210211 [0,1,0,1,0,0|1,0,1]=4 26158 B11R1.18 CCCCN1CCCC1CC 2230a_100000754278_100000210211 [0,1,0,1,0,0|1,0,0]=3 26159 B11R1.18 CCCCN1CCCC1CC 269982a_100000754278_100000210211 [0,1,0,1,0,0|1,0,0]=3 26160 B11R1.18 CCCCN1CCCC1CC 34a_100000754278_100000210210 [0,1,0,1,0,0|1,0,0]=3 26161 B11R1.18 CCCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210211 [0,1,0,1,0,0|1,0,1]=4 26162 B11R1.18 CCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210211 [0,1,0,1,0,0|1,0,1]=4 26163 B11R1.18 CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210211 [0,1,0,1,0,0|1,0,0]=3 26164 B11R1.18 CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210211 [0,1,0,1,0,0|1,0,0]=3 26165 B11R1.18 CCCCN1CCC[C@@H]1CO 34a_100000745186_100000210210 [0,1,0,1,0,0|1,0,0]=3 26166 B11R1.18 CCCNC1CCCC1CC 269862a_100020643023_100000749056 [0,1,0,1,0,0|1,0,0]=3 26167 B11R1.18 CCCNC1CCCC1CC 270004a_100020643023_100000749056 [0,1,0,1,0,0|1,0,0]=3 26168 B11R1.18 CCNCC1CCCN1CC 2230a_100000211693_100000210202 [0,1,0,1,0,0|2,0,0]=4 26169 B11R1.18 CCOCN1CCCC1CC 269982a_100000754278_100000739092 [0,1,0,1,0,0|2,0,0]=4 26170 B11R1.18 CCOCN1CCC[C@@H]1CO 269982a_100000745186_100000739092 [0,1,0,1,0,0|2,0,0]=4 26171 B11R1.18 CCOC[C@H]1CCCN1CC 34a_100011739246_100000210202 [0,1,0,1,0,0|2,0,0]=4 26172 B11R1.18 CCOC[C@H]1CCCN1CC 7a_100011739246_100000210202 [0,1,0,1,0,0|2,0,0]=4 26173 B11R1.18 COCCN1CCC[C@@H]1CO 2230a_100000745186_100011201679 [0,1,0,1,0,0|2,0,0]=4 26174 B11R1.18 COCCN1CCC[C@@H]1CO 269982a_100000745186_100000233755 [0,1,0,1,0,0|2,0,0]=4 26175 B11R1.18 COCCN1CCC[C@@H]1CO 34a_100000745186_100011201679 [0,1,0,1,0,0|2,0,0]=4 26176 B11R1.18 CSCCN1CCC[C@@H]1CO 2230a_100000745186_100000751147 [0,1,0,1,0,0|2,0,0]=4 26177 B11R1.18 CSCCN1CCC[C@@H]1CO 269982a_100000745186_100000212216 [0,1,0,1,0,0|2,0,0]=4 26178 B11R1.18 CSCCN1CCC[C@@H]1CO 34a_100000745186_100000212216 [0,1,0,1,0,0|2,0,0]=4 26179 B11R1.18 OCCCN1CCC[C@@H]1CO 2230a_100000745186_100000230001 [0,1,0,1,0,0|2,0,0]=4 26180 B11R1.18 OCCCN1CCC[C@@H]1CO 269982a_100000745186_100011215043 [0,1,0,1,0,0|2,0,0]=4 26181 B11R1.18 OCCCN1CCC[C@@H]1CO 34a_100000745186_100000230001 [0,1,0,1,0,0|2,0,0]=4 26182 B11R1.18 OC[C@H]1CCCN1CCCF 2230a_100000745186_100011934791 [0,1,0,1,0,0|2,0,0]=4 26183 B11R1.18 OC[C@H]1CCCN1CCCF 269982a_100000745186_100011934791 [0,1,0,1,0,0|2,0,0]=4 26184 B11R1.18 OC[C@H]1CCCN1CCCF 34a_100000745186_100011934791 [0,1,0,1,0,0|2,0,0]=4 26185 B11R1.28 BrCCCOC1CCCCC1 34a_100011217188_100000210327 [0,1,0,1,0,0|1,0,0]=3 26186 B11R1.28 BrCCCOC1CCCOC1 34a_100011217188_100000693364 [0,1,0,1,0,0|1,0,0]=3 26187 B11R1.28 BrCCCOC1CCSCC1 34a_100011217188_100000069128 [0,1,0,1,0,0|1,0,0]=3 26188 B11R1.28 BrCCOCC1CCCCC1 34a_100000211926_100000211423 [0,1,0,1,0,0|2,0,0]=4 26189 B11R1.28 BrCCOCC1CCCCO1 34a_100000211926_100000211543 [0,1,0,1,0,0|1,0,0]=3 26190 B11R1.28 C#CCCOC1CCCCC1 34a_100000210231_100000688953 [0,1,0,1,0,0|0,0,2]=4 26191 B11R1.28 C#CCCOC1CCCCC1 34a_100011215631_100000210327 [0,1,0,1,0,0|0,0,2]=4 26192 B11R1.28 C#CCCOC1CCCCC1 7a_100000210231_100000688953 [0,1,0,1,0,0|0,0,2]=4 26193 B11R1.28 C#CCCOC1CCCCO1 34a_100000033831_100000688953 [0,1,0,1,0,0|0,0,2]=4 26194 B11R1.28 C#CCCOC1CCCOC1 34a_100000754041_100000688953 [0,1,0,1,0,0|0,0,2]=4 26195 B11R1.28 C#CCCOC1CCCOC1 34a_100011215631_100000693364 [0,1,0,1,0,0|0,0,2]=4 26196 B11R1.28 C#CCCOC1CCCSC1 7a_100015962668_100000688953 [0,1,0,1,0,0|0,0,2]=4 26197 B11R1.28 C#CCCOC1CCOCC1 34a_100000744328_100000688953 [0,1,0,1,0,0|0,0,2]=4 26198 B11R1.28 C#CCCOC1CCSCC1 34a_100000731022_100000688953 [0,1,0,1,0,0|0,0,2]=4 26199 B11R1.28 C#CCCOC1CCSCC1 34a_100011215631_100000069128 [0,1,0,1,0,0|0,0,2]=4 26200 B11R1.28 C#CCCOC1CCSCC1 7a_100000731022_100000688953 [0,1,0,1,0,0|0,0,2]=4 26201 B11R1.28 C#CCNCC1CCCCO1 2230a_100000174945_100000038162 [0,1,0,1,0,0|0,0,2]=4 26202 B11R1.28 C#CCNCC1CCCCO1 34a_100000174945_100000184674 [0,1,0,1,0,0|0,0,2]=4 26203 B11R1.28 C#CCNCC1CCCCO1 34a_100000212058_100000211543 [0,1,0,1,0,0|0,0,2]=4 26204 B11R1.28 C#CCOCC1CCCCO1 34a_100000210247_100000211543 [0,1,0,1,0,0|0,0,2]=4 26205 B11R1.28 C#CCOCC1CCCCO1 34a_100000211370_100000184674 [0,1,0,1,0,0|0,0,2]=4 26206 B11R1.28 C#CCOCC1CCCCO1 7a_100000211370_100000038162 [0,1,0,1,0,0|0,0,2]=4 26207 B11R1.28 C#CCSCC1CCCCO1 62a_100000038162_100000211543 [0,1,0,1,0,0|0,0,2]=4 26208 B11R1.28 C/C=C/COC1CCCCC1 34a_100000210231_100102629194 [0,1,0,1,0,0|0,0,2]=4 26209 B11R1.28 C/C=C/COC1CCCCC1 34a_100016270725_100000210327 [0,1,0,1,0,0|0,0,2]=4 26210 B11R1.28 C/C=C/COC1CCCCC1 7a_100000210231_100102629194 [0,1,0,1,0,0|0,0,2]=4 26211 B11R1.28 C/C=C/COC1CCCCO1 34a_100000033831_100102629194 [0,1,0,1,0,0|0,0,2]=4 26212 B11R1.28 C/C=C/COC1CCCOC1 34a_100000754041_100102629194 [0,1,0,1,0,0|0,0,2]=4 26213 B11R1.28 C/C=C/COC1CCCOC1 34a_100016270725_100000693364 [0,1,0,1,0,0|0,0,2]=4 26214 B11R1.28 C/C=C/COC1CCCSC1 7a_100015962668_100102629194 [0,1,0,1,0,0|0,0,2]=4 26215 B11R1.28 C/C=C/COC1CCOCC1 34a_100000744328_100102629194 [0,1,0,1,0,0|0,0,2]=4 26216 B11R1.28 C/C=C/COC1CCSCC1 34a_100000731022_100102629194 [0,1,0,1,0,0|0,0,2]=4 26217 B11R1.28 C/C=C/COC1CCSCC1 34a_100016270725_100000069128 [0,1,0,1,0,0|0,0,2]=4 26218 B11R1.28 C/C=C/COC1CCSCC1 7a_100000731022_100102629194 [0,1,0,1,0,0|0,0,2]=4 26219 B11R1.28 C=CCCOC1CCCCC1 34a_100000210231_100000754431 [0,1,0,1,0,0|0,0,2]=4 26220 B11R1.28 C=CCCOC1CCCCC1 34a_100011205117_100000210327 [0,1,0,1,0,0|0,0,2]=4 26221 B11R1.28 C=CCCOC1CCCCC1 7a_100000210231_100000754431 [0,1,0,1,0,0|0,0,2]=4 26222 B11R1.28 C=CCCOC1CCCCO1 34a_100000033831_100000754431 [0,1,0,1,0,0|0,0,2]=4 26223 B11R1.28 C=CCCOC1CCCOC1 34a_100000754041_100000754431 [0,1,0,1,0,0|0,0,2]=4 26224 B11R1.28 C=CCCOC1CCCOC1 34a_100011205117_100000693364 [0,1,0,1,0,0|0,0,2]=4 26225 B11R1.28 C=CCCOC1CCCSC1 7a_100015962668_100000754431 [0,1,0,1,0,0|0,0,2]=4 26226 B11R1.28 C=CCCOC1CCOCC1 34a_100000744328_100000754431 [0,1,0,1,0,0|0,0,2]=4 26227 B11R1.28 C=CCCOC1CCSCC1 34a_100000731022_100000754431 [0,1,0,1,0,0|0,0,2]=4 26228 B11R1.28 C=CCCOC1CCSCC1 34a_100011205117_100000069128 [0,1,0,1,0,0|0,0,2]=4 26229 B11R1.28 C=CCCOC1CCSCC1 7a_100000731022_100000754431 [0,1,0,1,0,0|0,0,2]=4 26230 B11R1.28 C=CCNCC1CCCCO1 2230a_100000174945_100000210623 [0,1,0,1,0,0|0,0,2]=4 26231 B11R1.28 C=CCNCC1CCCCO1 2230a_100020586998_100000211543 [0,1,0,1,0,0|0,0,2]=4 26232 B11R1.28 C=CCNCC1CCCCO1 34a_100000174945_100015514636 [0,1,0,1,0,0|0,0,2]=4 26233 B11R1.28 C=CCOCC1CCCCO1 34a_100000211370_100015514636 [0,1,0,1,0,0|0,0,2]=4 26234 B11R1.28 C=CCOCC1CCCCO1 34a_200000210373_100000211543 [0,1,0,1,0,0|0,0,2]=4 26235 B11R1.28 C=CCOCC1CCCCO1 7a_100000211370_100015514636 [0,1,0,1,0,0|0,0,2]=4 26236 B11R1.28 C=CCSCC1CCCCO1 62a_100000210623_100000211543 [0,1,0,1,0,0|0,0,2]=4 26237 B11R1.28 C=CCSCC1CCCCO1 62a_100000211543_100000210623 [0,1,0,1,0,0|0,0,2]=4 26238 B11R1.28 CC#CCOC1CCCCC1 34a_100000210231_100000748600 [0,1,0,1,0,0|0,0,2]=4 26239 B11R1.28 CC#CCOC1CCCCC1 34a_100000761923_100000210327 [0,1,0,1,0,0|0,0,2]=4 26240 B11R1.28 CC#CCOC1CCCCC1 7a_100000210231_100000748600 [0,1,0,1,0,0|0,0,2]=4 26241 B11R1.28 CC#CCOC1CCCCO1 34a_100000033831_100000748600 [0,1,0,1,0,0|0,0,2]=4 26242 B11R1.28 CC#CCOC1CCCOC1 34a_100000754041_100000748600 [0,1,0,1,0,0|0,0,2]=4 26243 B11R1.28 CC#CCOC1CCCOC1 34a_100000761923_100000693364 [0,1,0,1,0,0|0,0,2]=4 26244 B11R1.28 CC#CCOC1CCCSC1 7a_100015962668_100000748600 [0,1,0,1,0,0|0,0,2]=4 26245 B11R1.28 CC#CCOC1CCOCC1 34a_100000744328_100000748600 [0,1,0,1,0,0|0,0,2]=4 26246 B11R1.28 CC#CCOC1CCSCC1 34a_100000731022_100000748600 [0,1,0,1,0,0|0,0,2]=4 26247 B11R1.28 CC#CCOC1CCSCC1 34a_100000761923_100000069128 [0,1,0,1,0,0|0,0,2]=4 26248 B11R1.28 CC#CCOC1CCSCC1 7a_100000731022_100000748600 [0,1,0,1,0,0|0,0,2]=4 26249 B11R1.28 CC=CCOC1CCCCC1 34a_100000210231_100000070051 [0,1,0,1,0,0|0,0,2]=4 26250 B11R1.28 CC=CCOC1CCCCC1 7a_100000210231_100000070051 [0,1,0,1,0,0|0,0,2]=4 26251 B11R1.28 CC=CCOC1CCCCO1 34a_100000033831_100000070051 [0,1,0,1,0,0|0,0,2]=4 26252 B11R1.28 CC=CCOC1CCCOC1 34a_100000754041_100000070051 [0,1,0,1,0,0|0,0,2]=4 26253 B11R1.28 CC=CCOC1CCCSC1 7a_100015962668_100000070051 [0,1,0,1,0,0|0,0,2]=4 26254 B11R1.28 CC=CCOC1CCOCC1 34a_100000744328_100000070051 [0,1,0,1,0,0|0,0,2]=4 26255 B11R1.28 CC=CCOC1CCSCC1 34a_100000731022_100000070051 [0,1,0,1,0,0|0,0,2]=4 26256 B11R1.28 CC=CCOC1CCSCC1 7a_100000731022_100000070051 [0,1,0,1,0,0|0,0,2]=4 26257 B11R1.28 CCCCCN1CC=CCC1 2230a_100000698166_100000210326 [0,1,0,1,0,0|1,0,1]=4 26258 B11R1.28 CCCCCN1CC=CCC1 269982a_100000698166_100000210215 [0,1,0,1,0,0|1,0,1]=4 26259 B11R1.28 CCCCCN1CC=CCC1 34a_100000698166_100000718602 [0,1,0,1,0,0|1,0,1]=4 26260 B11R1.28 CCCCCN1CCCOC1 2230a_100000131196_100000210326 [0,1,0,1,0,0|1,0,0]=3 26261 B11R1.28 CCCCCN1CCCOC1 269982a_100000131196_100000210215 [0,1,0,1,0,0|1,0,0]=3 26262 B11R1.28 CCCCCN1CCCOC1 34a_100000131196_100000718602 [0,1,0,1,0,0|1,0,0]=3 26263 B11R1.28 CCCCCN1CCOCC1 2230a_100015191051_100000210326 [0,1,0,1,0,0|1,0,0]=3 26264 B11R1.28 CCCCCN1CCOCC1 269982a_100015191051_100000210215 [0,1,0,1,0,0|1,0,0]=3 26265 B11R1.28 CCCCCN1CCOCC1 34a_100015191051_100000718602 [0,1,0,1,0,0|1,0,0]=3 26266 B11R1.28 CCCCCN1CCSCC1 2230a_100000737611_100000210326 [0,1,0,1,0,0|1,0,0]=3 26267 B11R1.28 CCCCCN1CCSCC1 269982a_100000737611_100000210215 [0,1,0,1,0,0|1,0,0]=3 26268 B11R1.28 CCCCNC1C=CCCC1 2230a_100000102301_100000751183 [0,1,0,1,0,0|1,0,1]=4 26269 B11R1.28 CCCCNC1C=CCCC1 7a_106832991798_100000751183 [0,1,0,1,0,0|1,0,1]=4 26270 B11R1.28 CCCCNC1CCCCC1 2230a_100000182618_100000210211 [0,1,0,1,0,0|1,0,0]=3 26271 B11R1.28 CCCCNC1CCCCC1 270004a_100000102301_100000210434 [0,1,0,1,0,0|1,0,0]=3 26272 B11R1.28 CCCCNC1CCCCC1 34a_100000182618_100000210210 [0,1,0,1,0,0|1,0,0]=3 26273 B11R1.28 CCCCNC1CCCCC1 7a_106832991798_100000210327 [0,1,0,1,0,0|1,0,0]=3 26274 B11R1.28 CCCCNC1CCCOC1 2230a_100000719290_100000210211 [0,1,0,1,0,0|1,0,0]=3 26275 B11R1.28 CCCCNC1CCCOC1 270004a_100000102301_100000753404 [0,1,0,1,0,0|1,0,0]=3 26276 B11R1.28 CCCCNC1CCCOC1 34a_100000719290_100000210210 [0,1,0,1,0,0|1,0,0]=3 26277 B11R1.28 CCCCNC1CCCOC1 7a_106832991798_100000693364 [0,1,0,1,0,0|1,0,0]=3 26278 B11R1.28 CCCCNC1CCCSC1 270004a_100000102301_100000057913 [0,1,0,1,0,0|1,0,0]=3 26279 B11R1.28 CCCCNC1CCNCC1 270004a_100000102301_100015192401 [0,1,0,1,0,0|1,0,0]=3 26280 B11R1.28 CCCCNC1CCOCC1 2230a_100000741149_100000210211 [0,1,0,1,0,0|1,0,0]=3 26281 B11R1.28 CCCCNC1CCOCC1 270004a_100000102301_100011217826 [0,1,0,1,0,0|1,0,0]=3 26282 B11R1.28 CCCCNC1CCOCC1 34a_100000741149_100000210210 [0,1,0,1,0,0|1,0,0]=3 26283 B11R1.28 CCCCNC1CCOCC1 7a_106832991798_100000686592 [0,1,0,1,0,0|1,0,0]=3 26284 B11R1.28 CCCCNC1CCSCC1 2230a_100000748639_100000210211 [0,1,0,1,0,0|1,0,0]=3 26285 B11R1.28 CCCCNC1CCSCC1 270004a_100000102301_100000203788 [0,1,0,1,0,0|1,0,0]=3 26286 B11R1.28 CCCCNC1CCSCC1 34a_100000748639_100000210210 [0,1,0,1,0,0|1,0,0]=3 26287 B11R1.28 CCCCNC1CCSCC1 7a_106832991798_100011500858 [0,1,0,1,0,0|1,0,0]=3 26288 B11R1.28 CCCCOC1C=CCCC1 34a_100011215024_100000210210 [0,1,0,1,0,0|0,0,1]=3 26289 B11R1.28 CCCCOC1C=CCCC1 7a_100000210227_100000751183 [0,1,0,1,0,0|0,0,1]=3 26290 B11R1.28 CCCCOC1CC=CCC1 34a_100000073881_100000210210 [0,1,0,1,0,0|0,0,1]=3 26291 B11R1.28 CCCCOC1CCCCC1 34a_100000210227_100000210327 [0,1,0,1,0,0|0,0,0]=2 26292 B11R1.28 CCCCOC1CCCCC1 34a_100000210231_100000210210 [0,1,0,1,0,0|0,0,0]=2 26293 B11R1.28 CCCCOC1CCCCC1 7a_100000210227_100000210327 [0,1,0,1,0,0|0,0,0]=2 26294 B11R1.28 CCCCOC1CCCCC1 7a_100000210231_100000210211 [0,1,0,1,0,0|0,0,0]=2 26295 B11R1.28 CCCCOC1CCCCO1 34a_100000033831_100000210210 [0,1,0,1,0,0|0,0,0]=2 26296 B11R1.28 CCCCOC1CCCOC1 34a_100000210227_100000693364 [0,1,0,1,0,0|0,0,0]=2 26297 B11R1.28 CCCCOC1CCCOC1 34a_100000754041_100000210210 [0,1,0,1,0,0|0,0,0]=2 26298 B11R1.28 CCCCOC1CCCOC1 7a_100000210227_100000693364 [0,1,0,1,0,0|0,0,0]=2 26299 B11R1.28 CCCCOC1CCCSC1 7a_100015962668_100000210211 [0,1,0,1,0,0|0,0,0]=2 26300 B11R1.28 CCCCOC1CCOCC1 34a_100000744328_100000210210 [0,1,0,1,0,0|0,0,0]=2 26301 B11R1.28 CCCCOC1CCOCC1 7a_100000210227_100000686592 [0,1,0,1,0,0|0,0,0]=2 26302 B11R1.28 CCCCOC1CCSCC1 34a_100000210227_100000069128 [0,1,0,1,0,0|0,0,0]=2 26303 B11R1.28 CCCCOC1CCSCC1 34a_100000731022_100000210210 [0,1,0,1,0,0|0,0,0]=2 26304 B11R1.28 CCCCOC1CCSCC1 7a_100000210227_100011500858 [0,1,0,1,0,0|0,0,0]=2 26305 B11R1.28 CCCCOC1CCSCC1 7a_100000731022_100000210211 [0,1,0,1,0,0|0,0,0]=2 26306 B11R1.28 CCCCSC1C=CCCC1 62a_100000210211_100000751183 [0,1,0,1,0,0|0,1,1]=4 26307 B11R1.28 CCCCSC1C=CCCC1 62a_100000751183_100000210210 [0,1,0,1,0,0|0,1,1]=4 26308 B11R1.28 CCCCSC1CCCCC1 62a_100000210211_100000210327 [0,1,0,1,0,0|0,1,0]=3 26309 B11R1.28 CCCCSC1CCCCC1 62a_100000210327_100000210210 [0,1,0,1,0,0|0,1,0]=3 26310 B11R1.28 CCCCSC1CCCOC1 62a_100000210211_100000693364 [0,1,0,1,0,0|0,1,0]=3 26311 B11R1.28 CCCCSC1CCOCC1 62a_100000210211_100011324220 [0,1,0,1,0,0|0,1,0]=3 26312 B11R1.28 CCCCSC1CCSCC1 62a_100000210211_100000069128 [0,1,0,1,0,0|0,1,0]=3 26313 B11R1.28 CCCNCC1CCCCC1 2230a_100000210473_100000210303 [0,1,0,1,0,0|1,0,0]=3 26314 B11R1.28 CCCNCC1CCCCC1 269862a_100020643023_100000211278 [0,1,0,1,0,0|1,0,0]=3 26315 B11R1.28 CCCNCC1CCCCC1 34a_100000210473_100000210303 [0,1,0,1,0,0|1,0,0]=3 26316 B11R1.28 CCCNCC1CCCCO1 2230a_100000174945_100000210303 [0,1,0,1,0,0|0,0,0]=2 26317 B11R1.28 CCCNCC1CCCCO1 34a_100000174945_100000210303 [0,1,0,1,0,0|0,0,0]=2 26318 B11R1.28 CCCNCC1CCCOC1 2230a_100000720124_100000210303 [0,1,0,1,0,0|2,0,0]=4 26319 B11R1.28 CCCNCC1CCCOC1 34a_100000720124_100000210303 [0,1,0,1,0,0|2,0,0]=4 26320 B11R1.28 CCCNCC1CCOCC1 2230a_100000746373_100000210303 [0,1,0,1,0,0|2,0,0]=4 26321 B11R1.28 CCCNCC1CCOCC1 269862a_100020643023_100000749017 [0,1,0,1,0,0|2,0,0]=4 26322 B11R1.28 CCCNCC1CCOCC1 34a_100000746373_100000210303 [0,1,0,1,0,0|2,0,0]=4 26323 B11R1.28 CCCNCC1CCSCC1 2230a_100015188806_100000210303 [0,1,0,1,0,0|2,0,0]=4 26324 B11R1.28 CCCNCC1CCSCC1 269862a_100020643023_100000067145 [0,1,0,1,0,0|2,0,0]=4 26325 B11R1.28 CCCNCC1CCSCC1 270004a_100020643023_100000067145 [0,1,0,1,0,0|2,0,0]=4 26326 B11R1.28 CCCNCC1CCSCC1 34a_100015188806_100000210303 [0,1,0,1,0,0|2,0,0]=4 26327 B11R1.28 CCCNC[C@H]1COCCO1 2230a_100010981119_100000210303 [0,1,0,1,0,0|1,0,0]=3 26328 B11R1.28 CCCNC[C@H]1COCCO1 34a_100010981119_100000210303 [0,1,0,1,0,0|1,0,0]=3 26329 B11R1.28 CCCNN=C1CCCCC1 4a_100000740057_100000210434 [0,1,0,1,0,0|2,0,0]=4 26330 B11R1.28 CCCOCC1CCC=CO1 34a_100011217868_100000210303 [0,1,0,1,0,0|0,0,2]=4 26331 B11R1.28 CCCOCC1CCCCC1 34a_100000210258_100000211423 [0,1,0,1,0,0|1,0,0]=3 26332 B11R1.28 CCCOCC1CCCCC1 34a_100000212181_100000210303 [0,1,0,1,0,0|1,0,0]=3 26333 B11R1.28 CCCOCC1CCCCC1 7a_100000212181_100000210303 [0,1,0,1,0,0|1,0,0]=3 26334 B11R1.28 CCCOCC1CCCCN1 34a_100000210821_100000210303 [0,1,0,1,0,0|1,0,0]=3 26335 B11R1.28 CCCOCC1CCCCO1 34a_100000210258_100000211543 [0,1,0,1,0,0|0,0,0]=2 26336 B11R1.28 CCCOCC1CCCCO1 34a_100000211370_100000210303 [0,1,0,1,0,0|0,0,0]=2 26337 B11R1.28 CCCOCC1CCCCO1 7a_100000211370_100000210303 [0,1,0,1,0,0|0,0,0]=2 26338 B11R1.28 CCCOCC1CCCNC1 34a_100000211344_100000210303 [0,1,0,1,0,0|2,0,0]=4 26339 B11R1.28 CCCOCC1CCCOC1 34a_100000210258_100000741521 [0,1,0,1,0,0|2,0,0]=4 26340 B11R1.28 CCCOCC1CCCOC1 34a_100000741520_100000210303 [0,1,0,1,0,0|2,0,0]=4 26341 B11R1.28 CCCOCC1CCNCC1 34a_100000738675_100000210303 [0,1,0,1,0,0|2,0,0]=4 26342 B11R1.28 CCCOCC1CCOCC1 34a_100000210258_100000754603 [0,1,0,1,0,0|2,0,0]=4 26343 B11R1.28 CCCOCC1CCOCC1 34a_100000749013_100000210303 [0,1,0,1,0,0|2,0,0]=4 26344 B11R1.28 CCCOCC1CCSCC1 34a_100000070558_100000210303 [0,1,0,1,0,0|2,0,0]=4 26345 B11R1.28 CCCOCC1CCSCC1 7a_100000070558_100000210303 [0,1,0,1,0,0|2,0,0]=4 26346 B11R1.28 CCCOC[C@@H]1CNCCO1 34a_100015189573_100000210303 [0,1,0,1,0,0|1,0,0]=3 26347 B11R1.28 CCCOC[C@@H]1COCCN1 34a_100000717676_100000210303 [0,1,0,1,0,0|2,0,0]=4 26348 B11R1.28 CCCOC[C@H]1COCCO1 34a_100009875890_100000210303 [0,1,0,1,0,0|1,0,0]=3 26349 B11R1.28 CCCSCC1CCCCC1 62a_100000210303_100000211423 [0,1,0,1,0,0|1,0,0]=3 26350 B11R1.28 CCCSCC1CCCCC1 62a_100000211423_100000210303 [0,1,0,1,0,0|1,0,0]=3 26351 B11R1.28 CCCSCC1CCCCO1 62a_100000210303_100000211543 [0,1,0,1,0,0|0,0,0]=2 26352 B11R1.28 CCCSCC1CCCCO1 62a_100000211543_100000210303 [0,1,0,1,0,0|0,0,0]=2 26353 B11R1.28 CCCSCC1CCCOC1 62a_100000210303_100000741521 [0,1,0,1,0,0|2,0,0]=4 26354 B11R1.28 CCCSCC1CCCOC1 62a_100000741521_100000210303 [0,1,0,1,0,0|2,0,0]=4 26355 B11R1.28 CCCSCC1CCOCC1 62a_100000210303_100000749018 [0,1,0,1,0,0|2,0,0]=4 26356 B11R1.28 CCCSCC1CCOCC1 62a_100000754603_100000210303 [0,1,0,1,0,0|2,0,0]=4 26357 B11R1.28 CCNCCC1=CCCCC1 2230a_100000212019_100000210202 [0,1,0,1,0,0|1,0,1]=4 26358 B11R1.28 CCNCCC1=CCCCC1 34a_100000212019_100000210202 [0,1,0,1,0,0|1,0,1]=4 26359 B11R1.28 CCNCCC1CCCCC1 2230a_100000738074_100000210202 [0,1,0,1,0,0|1,0,0]=3 26360 B11R1.28 CCNCCC1CCCCC1 2230a_100015525214_100012355289 [0,1,0,1,0,0|1,0,0]=3 26361 B11R1.28 CCNCCC1CCCCC1 270004a_100015525214_100011713444 [0,1,0,1,0,0|1,0,0]=3 26362 B11R1.28 CCNCCC1CCCCC1 34a_100000738074_100000210202 [0,1,0,1,0,0|1,0,0]=3 26363 B11R1.28 CCNCCC1CCCCO1 2230a_100015183643_100000210202 [0,1,0,1,0,0|0,0,0]=2 26364 B11R1.28 CCNCCC1CCCCO1 34a_100015183643_100000210202 [0,1,0,1,0,0|0,0,0]=2 26365 B11R1.28 CCNCCC1CCOCC1 2230a_100000755988_100000210202 [0,1,0,1,0,0|2,0,0]=4 26366 B11R1.28 CCNCCC1CCOCC1 2230a_100015525214_100011934994 [0,1,0,1,0,0|2,0,0]=4 26367 B11R1.28 CCNCCC1CCOCC1 34a_100000755988_100000210202 [0,1,0,1,0,0|2,0,0]=4 26368 B11R1.28 CCNCCC1OCCCO1 2230a_100015525214_100000764188 [0,1,0,1,0,0|1,0,0]=3 26369 B11R1.28 CCNCCN1CCCCC1 2230a_100015525214_100000739454 [0,1,0,1,0,0|1,0,0]=3 26370 B11R1.28 CCNCCN1CCOCC1 2230a_100015525214_100025781966 [0,1,0,1,0,0|2,0,0]=4 26371 B11R1.28 CCNCCN1CCSCC1 2230a_100000755026_100000210202 [0,1,0,1,0,0|2,0,0]=4 26372 B11R1.28 CCNCOC1CCCCC1 2230a_100015525214_100011935260 [0,1,0,1,0,0|1,0,0]=3 26373 B11R1.28 CCOCCC1CCCCC1 34a_100011217863_100000210202 [0,1,0,1,0,0|1,0,0]=3 26374 B11R1.28 CCOCCC1CCCCC1 34a_100121572206_100011209188 [0,1,0,1,0,0|1,0,0]=3 26375 B11R1.28 CCOCCC1CCCCC1 7a_100011217863_100000210202 [0,1,0,1,0,0|1,0,0]=3 26376 B11R1.28 CCOCCC1CCCCN1 34a_100000211664_100000210202 [0,1,0,1,0,0|1,0,0]=3 26377 B11R1.28 CCOCCC1CCCNC1 34a_100000752241_100000210202 [0,1,0,1,0,0|2,0,0]=4 26378 B11R1.28 CCOCCC1CCNCC1 34a_100015190746_100000210202 [0,1,0,1,0,0|2,0,0]=4 26379 B11R1.28 CCOCCC1CCOCC1 34a_100011933979_100000210202 [0,1,0,1,0,0|2,0,0]=4 26380 B11R1.28 CCOCCC1CCOCC1 34a_100121572206_100011934994 [0,1,0,1,0,0|2,0,0]=4 26381 B11R1.28 CCOCCC1CCOCC1 7a_100011933979_100000210202 [0,1,0,1,0,0|2,0,0]=4 26382 B11R1.28 CCOCCC1OCCCO1 34a_100121572206_100000764188 [0,1,0,1,0,0|1,0,0]=3 26383 B11R1.28 CCOCCC1SCCCS1 34a_200011025297_100000210202 [0,1,0,1,0,0|1,1,0]=4 26384 B11R1.28 CCOCCC1SCCCS1 7a_200011025297_100000210202 [0,1,0,1,0,0|1,1,0]=4 26385 B11R1.28 CCOCCN1CCCCC1 34a_100121572206_100000739454 [0,1,0,1,0,0|1,0,0]=3 26386 B11R1.28 CCOCCN1CCCOC1 2230a_100000131196_100011215890 [0,1,0,1,0,0|2,0,0]=4 26387 B11R1.28 CCOCCN1CCCOC1 269982a_100000131196_100011215890 [0,1,0,1,0,0|2,0,0]=4 26388 B11R1.28 CCOCCN1CCCOC1 34a_100000131196_100000210147 [0,1,0,1,0,0|2,0,0]=4 26389 B11R1.28 CCOCCN1CCOCC1 2230a_100015191051_100011215890 [0,1,0,1,0,0|2,0,0]=4 26390 B11R1.28 CCOCCN1CCOCC1 269982a_100015191051_100011215890 [0,1,0,1,0,0|2,0,0]=4 26391 B11R1.28 CCOCCN1CCOCC1 34a_100015191051_100000210147 [0,1,0,1,0,0|2,0,0]=4 26392 B11R1.28 CCOCCN1CCSCC1 2230a_100000737611_100011215890 [0,1,0,1,0,0|2,0,0]=4 26393 B11R1.28 CCOCCN1CCSCC1 269982a_100000737611_100011215890 [0,1,0,1,0,0|2,0,0]=4 26394 B11R1.28 CCOCCN1CCSCC1 7a_100000686052_100000210202 [0,1,0,1,0,0|2,0,0]=4 26395 B11R1.28 CCOCC[C@@H]1CNCCN1 34a_100016989929_100000210202 [0,1,0,1,0,0|2,0,0]=4 26396 B11R1.28 CCOCOC1CCCCC1 34a_100121572206_100011935260 [0,1,0,1,0,0|1,0,0]=3 26397 B11R1.28 CCOCSC1CCCCC1 62a_100000210327_100000739092 [0,1,0,1,0,0|1,1,0]=4 26398 B11R1.28 CCOCSC1CCCCC1 62a_100000739092_100000210327 [0,1,0,1,0,0|1,1,0]=4 26399 B11R1.28 CCOCSC1CCCOC1 62a_100000739092_100000693364 [0,1,0,1,0,0|1,1,0]=4 26400 B11R1.28 CCOCSC1CCOCC1 62a_100000739092_100011324220 [0,1,0,1,0,0|1,1,0]=4 26401 B11R1.28 CCOCSC1CCSCC1 62a_100000739092_100000069128 [0,1,0,1,0,0|1,1,0]=4 26402 B11R1.28 CCSCCC1CCCCC1 62a_100000210202_100012355289 [0,1,0,1,0,0|1,0,0]=3 26403 B11R1.28 CCSCCC1CCCCC1 62a_100012355289_100000210202 [0,1,0,1,0,0|1,0,0]=3 26404 B11R1.28 CCSCCC1CCOCC1 62a_100000210202_100011934994 [0,1,0,1,0,0|2,0,0]=4 26405 B11R1.28 CCSCCC1CCOCC1 62a_100011934994_100000210202 [0,1,0,1,0,0|2,0,0]=4 26406 B11R1.28 CCSCCC1OCCCO1 62a_100000210202_100000764188 [0,1,0,1,0,0|1,0,0]=3 26407 B11R1.28 CCSCCC1OCCCO1 62a_100000764188_100000210202 [0,1,0,1,0,0|1,0,0]=3 26408 B11R1.28 CCSCCN1CCCCC1 62a_100000210202_100000739454 [0,1,0,1,0,0|1,0,0]=3 26409 B11R1.28 CCSCCN1CCCCC1 62a_100000739454_100000210202 [0,1,0,1,0,0|1,0,0]=3 26410 B11R1.28 CCSCCN1CCCOC1 2230a_100000131196_100000757381 [0,1,0,1,0,0|2,0,0]=4 26411 B11R1.28 CCSCCN1CCCOC1 269982a_100000131196_100000757381 [0,1,0,1,0,0|2,0,0]=4 26412 B11R1.28 CCSCCN1CCCOC1 34a_100000131196_100000757381 [0,1,0,1,0,0|2,0,0]=4 26413 B11R1.28 CCSCCN1CCOCC1 2230a_100015191051_100000757381 [0,1,0,1,0,0|2,0,0]=4 26414 B11R1.28 CCSCCN1CCOCC1 269982a_100015191051_100000757381 [0,1,0,1,0,0|2,0,0]=4 26415 B11R1.28 CCSCCN1CCOCC1 34a_100015191051_100000757381 [0,1,0,1,0,0|2,0,0]=4 26416 B11R1.28 CCSCCN1CCOCC1 62a_100000210202_100000211760 [0,1,0,1,0,0|2,0,0]=4 26417 B11R1.28 CCSCCN1CCSCC1 2230a_100000737611_100000757381 [0,1,0,1,0,0|2,0,0]=4 26418 B11R1.28 CCSCCN1CCSCC1 269982a_100000737611_100000757381 [0,1,0,1,0,0|2,0,0]=4 26419 B11R1.28 CCSCOC1CCCCC1 62a_100000210202_100011935260 [0,1,0,1,0,0|1,0,0]=3 26420 B11R1.28 CCSCOC1CCCCC1 62a_100011935260_100000210202 [0,1,0,1,0,0|1,0,0]=3 26421 B11R1.28 CNCCCC1CCCCC1 2230a_100011211642_200000210301 [0,1,0,1,0,0|1,0,0]=3 26422 B11R1.28 CNCCCC1CCCCC1 2230a_106832991635_100011713725 [0,1,0,1,0,0|1,0,0]=3 26423 B11R1.28 CNCCCC1CCCCC1 34a_100011211642_200000210301 [0,1,0,1,0,0|1,0,0]=3 26424 B11R1.28 CNCCCC1CCCCC1 34a_100102657272_100011713725 [0,1,0,1,0,0|1,0,0]=3 26425 B11R1.28 CNCCCC1CCCCC1 7a_106832991635_100011713725 [0,1,0,1,0,0|1,0,0]=3 26426 B11R1.28 CNCCCN1CCCCC1 2230a_106832991635_100000690320 [0,1,0,1,0,0|1,0,0]=3 26427 B11R1.28 CNCCCN1CCCCC1 34a_100102657272_100000690320 [0,1,0,1,0,0|1,0,0]=3 26428 B11R1.28 CNCCCN1CCCCC1 7a_106832991635_100000007876 [0,1,0,1,0,0|1,0,0]=3 26429 B11R1.28 CNCCCN1CCOCC1 2230a_106832991635_100000748698 [0,1,0,1,0,0|2,0,0]=4 26430 B11R1.28 CNCCCN1CCOCC1 34a_100102657272_100000748698 [0,1,0,1,0,0|2,0,0]=4 26431 B11R1.28 CNCCCN1CCOCC1 7a_106832991635_100000748698 [0,1,0,1,0,0|2,0,0]=4 26432 B11R1.28 CNCCOC1CCCCC1 2230a_106832991635_100011211530 [0,1,0,1,0,0|1,0,0]=3 26433 B11R1.28 CNCCOC1CCCCC1 34a_100015206981_200000210301 [0,1,0,1,0,0|1,0,0]=3 26434 B11R1.28 CNCCOC1CCCCC1 34a_100102657272_100011211530 [0,1,0,1,0,0|1,0,0]=3 26435 B11R1.28 CNCCOC1CCCCC1 7a_106832991635_100011211530 [0,1,0,1,0,0|1,0,0]=3 26436 B11R1.28 CNCCOC1CCCCO1 2230a_106832991635_100000744793 [0,1,0,1,0,0|1,0,0]=3 26437 B11R1.28 CNCCOC1CCCCO1 34a_100102657272_100000744793 [0,1,0,1,0,0|1,0,0]=3 26438 B11R1.28 CNCCOC1CCCCO1 7a_106832991635_100000744793 [0,1,0,1,0,0|1,0,0]=3 26439 B11R1.28 COCCCC1CCCCC1 34a_100000198086_200000210301 [0,1,0,1,0,0|1,0,0]=3 26440 B11R1.28 COCCCC1CCCCC1 34a_100138415774_100011713725 [0,1,0,1,0,0|1,0,0]=3 26441 B11R1.28 COCCCC1CCCCC1 7a_100000198086_200000210301 [0,1,0,1,0,0|1,0,0]=3 26442 B11R1.28 COCCCC1CCCCN1 34a_100011934581_200000210301 [0,1,0,1,0,0|1,0,0]=3 26443 B11R1.28 COCCCC1CCCNC1 34a_100150707839_200000210301 [0,1,0,1,0,0|2,0,0]=4 26444 B11R1.28 COCCCC1CCNCC1 34a_100016988962_200000210301 [0,1,0,1,0,0|2,0,0]=4 26445 B11R1.28 COCCCN1CCCCC1 34a_100000212458_200000210301 [0,1,0,1,0,0|1,0,0]=3 26446 B11R1.28 COCCCN1CCCCC1 34a_100138415774_100000690320 [0,1,0,1,0,0|1,0,0]=3 26447 B11R1.28 COCCCN1CCCOC1 2230a_100000131196_100000740836 [0,1,0,1,0,0|2,0,0]=4 26448 B11R1.28 COCCCN1CCCOC1 269982a_100000131196_100000740836 [0,1,0,1,0,0|2,0,0]=4 26449 B11R1.28 COCCCN1CCCOC1 34a_100000131196_100000740836 [0,1,0,1,0,0|2,0,0]=4 26450 B11R1.28 COCCCN1CCOCC1 2230a_100015191051_100000740836 [0,1,0,1,0,0|2,0,0]=4 26451 B11R1.28 COCCCN1CCOCC1 269982a_100015191051_100000740836 [0,1,0,1,0,0|2,0,0]=4 26452 B11R1.28 COCCCN1CCOCC1 34a_100000212840_200000210301 [0,1,0,1,0,0|2,0,0]=4 26453 B11R1.28 COCCCN1CCOCC1 34a_100015191051_100000740836 [0,1,0,1,0,0|2,0,0]=4 26454 B11R1.28 COCCCN1CCOCC1 34a_100138415774_100000748698 [0,1,0,1,0,0|2,0,0]=4 26455 B11R1.28 COCCCN1CCSCC1 2230a_100000737611_100000740836 [0,1,0,1,0,0|2,0,0]=4 26456 B11R1.28 COCCCN1CCSCC1 269982a_100000737611_100000740836 [0,1,0,1,0,0|2,0,0]=4 26457 B11R1.28 COCCNC1CCCCC1 2230a_100000182618_100011201679 [0,1,0,1,0,0|2,0,0]=4 26458 B11R1.28 COCCNC1CCCCC1 270004a_100000209980_100000210434 [0,1,0,1,0,0|2,0,0]=4 26459 B11R1.28 COCCNC1CCCCC1 34a_100000182618_100011201679 [0,1,0,1,0,0|2,0,0]=4 26460 B11R1.28 COCCNC1CCCCC1 34a_100000200466_200000210301 [0,1,0,1,0,0|2,0,0]=4 26461 B11R1.28 COCCNC1CCCOC1 2230a_100000719290_100011201679 [0,1,0,1,0,0|2,0,0]=4 26462 B11R1.28 COCCNC1CCCOC1 270004a_100000209980_100000753404 [0,1,0,1,0,0|2,0,0]=4 26463 B11R1.28 COCCNC1CCCOC1 34a_100000719290_100011201679 [0,1,0,1,0,0|2,0,0]=4 26464 B11R1.28 COCCNC1CCCSC1 270004a_100000209980_100000057913 [0,1,0,1,0,0|2,0,0]=4 26465 B11R1.28 COCCNC1CCNCC1 270004a_100000209980_100015192401 [0,1,0,1,0,0|2,0,0]=4 26466 B11R1.28 COCCNC1CCOCC1 2230a_100000741149_100011201679 [0,1,0,1,0,0|2,0,0]=4 26467 B11R1.28 COCCNC1CCOCC1 270004a_100000209980_100011217826 [0,1,0,1,0,0|2,0,0]=4 26468 B11R1.28 COCCNC1CCOCC1 34a_100000708129_200000210301 [0,1,0,1,0,0|2,0,0]=4 26469 B11R1.28 COCCNC1CCOCC1 34a_100000741149_100011201679 [0,1,0,1,0,0|2,0,0]=4 26470 B11R1.28 COCCNC1CCSCC1 2230a_100000748639_100011201679 [0,1,0,1,0,0|2,0,0]=4 26471 B11R1.28 COCCNC1CCSCC1 270004a_100000209980_100000203788 [0,1,0,1,0,0|2,0,0]=4 26472 B11R1.28 COCCNC1CCSCC1 34a_100000748639_100011201679 [0,1,0,1,0,0|2,0,0]=4 26473 B11R1.28 COCCOC1C=CCCC1 34a_100011215024_100011201679 [0,1,0,1,0,0|1,0,1]=4 26474 B11R1.28 COCCOC1CC=CCC1 34a_100000073881_100011201679 [0,1,0,1,0,0|1,0,1]=4 26475 B11R1.28 COCCOC1CCCCC1 34a_100000210231_100011201679 [0,1,0,1,0,0|1,0,0]=3 26476 B11R1.28 COCCOC1CCCCC1 34a_100000210237_100000210327 [0,1,0,1,0,0|1,0,0]=3 26477 B11R1.28 COCCOC1CCCCC1 34a_100011249652_200000210301 [0,1,0,1,0,0|1,0,0]=3 26478 B11R1.28 COCCOC1CCCCC1 34a_100138415774_100011211530 [0,1,0,1,0,0|1,0,0]=3 26479 B11R1.28 COCCOC1CCCCC1 7a_100000210231_100000233755 [0,1,0,1,0,0|1,0,0]=3 26480 B11R1.28 COCCOC1CCCCC1 7a_100011249652_200000210301 [0,1,0,1,0,0|1,0,0]=3 26481 B11R1.28 COCCOC1CCCCO1 34a_100000033831_100011201679 [0,1,0,1,0,0|1,0,0]=3 26482 B11R1.28 COCCOC1CCCCO1 34a_100000034223_200000210301 [0,1,0,1,0,0|1,0,0]=3 26483 B11R1.28 COCCOC1CCCCO1 34a_100138415774_100000744793 [0,1,0,1,0,0|1,0,0]=3 26484 B11R1.28 COCCOC1CCCCO1 7a_100000034223_200000210301 [0,1,0,1,0,0|1,0,0]=3 26485 B11R1.28 COCCOC1CCCOC1 34a_100000210237_100000693364 [0,1,0,1,0,0|1,0,0]=3 26486 B11R1.28 COCCOC1CCCOC1 34a_100000754041_100011201679 [0,1,0,1,0,0|1,0,0]=3 26487 B11R1.28 COCCOC1CCCSC1 7a_100015962668_100000233755 [0,1,0,1,0,0|1,0,0]=3 26488 B11R1.28 COCCOC1CCOCC1 34a_100000744328_100011201679 [0,1,0,1,0,0|1,0,0]=3 26489 B11R1.28 COCCOC1CCSCC1 34a_100000210237_100000069128 [0,1,0,1,0,0|1,0,0]=3 26490 B11R1.28 COCCOC1CCSCC1 34a_100000731022_100011201679 [0,1,0,1,0,0|1,0,0]=3 26491 B11R1.28 COCCOC1CCSCC1 7a_100000731022_100000233755 [0,1,0,1,0,0|1,0,0]=3 26492 B11R1.28 COCCSC1CCCCC1 62a_100000210327_100000233755 [0,1,0,1,0,0|1,1,0]=4 26493 B11R1.28 COCCSC1CCCCC1 62a_100000233755_100000210327 [0,1,0,1,0,0|1,1,0]=4 26494 B11R1.28 COCCSC1CCCOC1 62a_100000233755_100000693364 [0,1,0,1,0,0|1,1,0]=4 26495 B11R1.28 COCCSC1CCOCC1 62a_100000233755_100011324220 [0,1,0,1,0,0|1,1,0]=4 26496 B11R1.28 COCCSC1CCSCC1 62a_100000233755_100000069128 [0,1,0,1,0,0|1,1,0]=4 26497 B11R1.28 COCNCC1CCCCC1 2230a_100000210473_100000766300 [0,1,0,1,0,0|2,0,0]=4 26498 B11R1.28 COCNCC1CCCCO1 2230a_100000174945_100000766300 [0,1,0,1,0,0|1,0,0]=3 26499 B11R1.28 COCNC[C@H]1COCCO1 2230a_100010981119_100000766300 [0,1,0,1,0,0|2,0,0]=4 26500 B11R1.28 COCSCC1CCCCC1 62a_100000211423_100000766300 [0,1,0,1,0,0|2,0,0]=4 26501 B11R1.28 COCSCC1CCCCC1 62a_100000766300_100000211423 [0,1,0,1,0,0|2,0,0]=4 26502 B11R1.28 COCSCC1CCCCO1 62a_100000211543_100000766300 [0,1,0,1,0,0|1,0,0]=3 26503 B11R1.28 COCSCC1CCCCO1 62a_100000766300_100000211543 [0,1,0,1,0,0|1,0,0]=3 26504 B11R1.28 CSCCCC1CCCCC1 62a_100011713725_200000210301 [0,1,0,1,0,0|1,0,0]=3 26505 B11R1.28 CSCCCC1CCCCC1 62a_200000210301_100011713725 [0,1,0,1,0,0|1,0,0]=3 26506 B11R1.28 CSCCCN1CCCCC1 62a_100132302099_200000210301 [0,1,0,1,0,0|1,0,0]=3 26507 B11R1.28 CSCCCN1CCCCC1 62a_200000210301_100000007876 [0,1,0,1,0,0|1,0,0]=3 26508 B11R1.28 CSCCCN1CCOCC1 62a_200000210301_100000748698 [0,1,0,1,0,0|2,0,0]=4 26509 B11R1.28 CSCCNC1CCCCC1 2230a_100000182618_100000751147 [0,1,0,1,0,0|2,0,0]=4 26510 B11R1.28 CSCCNC1CCCCC1 270004a_100020590264_100000210434 [0,1,0,1,0,0|2,0,0]=4 26511 B11R1.28 CSCCNC1CCCCC1 34a_100000182618_100000212216 [0,1,0,1,0,0|2,0,0]=4 26512 B11R1.28 CSCCNC1CCCOC1 2230a_100000719290_100000751147 [0,1,0,1,0,0|2,0,0]=4 26513 B11R1.28 CSCCNC1CCCOC1 270004a_100020590264_100000753404 [0,1,0,1,0,0|2,0,0]=4 26514 B11R1.28 CSCCNC1CCCOC1 34a_100000719290_100000212216 [0,1,0,1,0,0|2,0,0]=4 26515 B11R1.28 CSCCNC1CCCSC1 270004a_100020590264_100000057913 [0,1,0,1,0,0|2,0,0]=4 26516 B11R1.28 CSCCNC1CCNCC1 270004a_100020590264_100015192401 [0,1,0,1,0,0|2,0,0]=4 26517 B11R1.28 CSCCNC1CCOCC1 2230a_100000741149_100000751147 [0,1,0,1,0,0|2,0,0]=4 26518 B11R1.28 CSCCNC1CCOCC1 270004a_100020590264_100011217826 [0,1,0,1,0,0|2,0,0]=4 26519 B11R1.28 CSCCNC1CCOCC1 34a_100000741149_100000212216 [0,1,0,1,0,0|2,0,0]=4 26520 B11R1.28 CSCCNC1CCSCC1 2230a_100000748639_100000751147 [0,1,0,1,0,0|2,0,0]=4 26521 B11R1.28 CSCCNC1CCSCC1 270004a_100020590264_100000203788 [0,1,0,1,0,0|2,0,0]=4 26522 B11R1.28 CSCCNC1CCSCC1 34a_100000748639_100000212216 [0,1,0,1,0,0|2,0,0]=4 26523 B11R1.28 CSCCOC1C=CCCC1 34a_100011215024_100000212216 [0,1,0,1,0,0|1,0,1]=4 26524 B11R1.28 CSCCOC1C=CCCC1 7a_100000230434_100000751183 [0,1,0,1,0,0|1,0,1]=4 26525 B11R1.28 CSCCOC1CC=CCC1 34a_100000073881_100000212216 [0,1,0,1,0,0|1,0,1]=4 26526 B11R1.28 CSCCOC1CCCCC1 34a_100000210231_100000212216 [0,1,0,1,0,0|1,0,0]=3 26527 B11R1.28 CSCCOC1CCCCC1 34a_100000230434_100000210327 [0,1,0,1,0,0|1,0,0]=3 26528 B11R1.28 CSCCOC1CCCCC1 62a_100011211530_200000210301 [0,1,0,1,0,0|1,0,0]=3 26529 B11R1.28 CSCCOC1CCCCC1 62a_200000210301_100011211530 [0,1,0,1,0,0|1,0,0]=3 26530 B11R1.28 CSCCOC1CCCCC1 7a_100000210231_100000212216 [0,1,0,1,0,0|1,0,0]=3 26531 B11R1.28 CSCCOC1CCCCC1 7a_100000230434_100000210327 [0,1,0,1,0,0|1,0,0]=3 26532 B11R1.28 CSCCOC1CCCCO1 34a_100000033831_100000212216 [0,1,0,1,0,0|1,0,0]=3 26533 B11R1.28 CSCCOC1CCCCO1 62a_100000744793_200000210301 [0,1,0,1,0,0|1,0,0]=3 26534 B11R1.28 CSCCOC1CCCCO1 62a_200000210301_100000744793 [0,1,0,1,0,0|1,0,0]=3 26535 B11R1.28 CSCCOC1CCCOC1 34a_100000230434_100000693364 [0,1,0,1,0,0|1,0,0]=3 26536 B11R1.28 CSCCOC1CCCOC1 34a_100000754041_100000212216 [0,1,0,1,0,0|1,0,0]=3 26537 B11R1.28 CSCCOC1CCCOC1 7a_100000230434_100000693364 [0,1,0,1,0,0|1,0,0]=3 26538 B11R1.28 CSCCOC1CCCSC1 7a_100015962668_100000212216 [0,1,0,1,0,0|1,0,0]=3 26539 B11R1.28 CSCCOC1CCOCC1 34a_100000744328_100000212216 [0,1,0,1,0,0|1,0,0]=3 26540 B11R1.28 CSCCOC1CCOCC1 7a_100000230434_100000686592 [0,1,0,1,0,0|1,0,0]=3 26541 B11R1.28 CSCCOC1CCSCC1 34a_100000230434_100000069128 [0,1,0,1,0,0|1,0,0]=3 26542 B11R1.28 CSCCOC1CCSCC1 34a_100000731022_100000212216 [0,1,0,1,0,0|1,0,0]=3 26543 B11R1.28 CSCCOC1CCSCC1 7a_100000230434_100011500858 [0,1,0,1,0,0|1,0,0]=3 26544 B11R1.28 CSCCOC1CCSCC1 7a_100000731022_100000212216 [0,1,0,1,0,0|1,0,0]=3 26545 B11R1.28 CSCCSC1CCCCC1 62a_100000210327_100000751147 [0,1,0,1,0,0|1,1,0]=4 26546 B11R1.28 CSCCSC1CCCCC1 62a_100000212216_100000210327 [0,1,0,1,0,0|1,1,0]=4 26547 B11R1.28 CSCCSC1CCCOC1 62a_100000212216_100000693364 [0,1,0,1,0,0|1,1,0]=4 26548 B11R1.28 CSCCSC1CCOCC1 62a_100000212216_100011324220 [0,1,0,1,0,0|1,1,0]=4 26549 B11R1.28 CSCCSC1CCSCC1 62a_100000212216_100000069128 [0,1,0,1,0,0|1,1,0]=4 26550 B11R1.28 CSCNCC1CCCCC1 2230a_100000210473_100011218213 [0,1,0,1,0,0|2,0,0]=4 26551 B11R1.28 CSCNCC1CCCCC1 34a_100000210473_100011218213 [0,1,0,1,0,0|2,0,0]=4 26552 B11R1.28 CSCNCC1CCCCO1 2230a_100000174945_100011218213 [0,1,0,1,0,0|1,0,0]=3 26553 B11R1.28 CSCNCC1CCCCO1 34a_100000174945_100011218213 [0,1,0,1,0,0|1,0,0]=3 26554 B11R1.28 CSCNC[C@H]1COCCO1 2230a_100010981119_100011218213 [0,1,0,1,0,0|2,0,0]=4 26555 B11R1.28 CSCNC[C@H]1COCCO1 34a_100010981119_100011218213 [0,1,0,1,0,0|2,0,0]=4 26556 B11R1.28 CSCOCC1CCCCC1 34a_100000212181_100011218213 [0,1,0,1,0,0|2,0,0]=4 26557 B11R1.28 CSCOCC1CCCCN1 34a_100000210821_100011218213 [0,1,0,1,0,0|2,0,0]=4 26558 B11R1.28 CSCOCC1CCCCO1 34a_100000211370_100011218213 [0,1,0,1,0,0|1,0,0]=3 26559 B11R1.28 CSCOC[C@@H]1CNCCO1 34a_100015189573_100011218213 [0,1,0,1,0,0|2,0,0]=4 26560 B11R1.28 CSCOC[C@H]1COCCO1 34a_100009875890_100011218213 [0,1,0,1,0,0|2,0,0]=4 26561 B11R1.28 CSCSCC1CCCCC1 62a_100000211423_100011218213 [0,1,0,1,0,0|2,0,0]=4 26562 B11R1.28 CSCSCC1CCCCC1 62a_100011218213_100000211423 [0,1,0,1,0,0|2,0,0]=4 26563 B11R1.28 CSCSCC1CCCCO1 62a_100000211543_100011218213 [0,1,0,1,0,0|1,0,0]=3 26564 B11R1.28 CSCSCC1CCCCO1 62a_100011218213_100000211543 [0,1,0,1,0,0|1,0,0]=3 26565 B11R1.28 ClCCCOC1CCCCC1 34a_100000230001_100000210327 [0,1,0,1,0,0|1,0,0]=3 26566 B11R1.28 ClCCCOC1CCCOC1 34a_100000230001_100000693364 [0,1,0,1,0,0|1,0,0]=3 26567 B11R1.28 ClCCCOC1CCSCC1 34a_100000230001_100000069128 [0,1,0,1,0,0|1,0,0]=3 26568 B11R1.28 FCCCCN1CCCOC1 2230a_100000131196_100000729493 [0,1,0,1,0,0|2,0,0]=4 26569 B11R1.28 FCCCCN1CCCOC1 269982a_100000131196_100000729493 [0,1,0,1,0,0|2,0,0]=4 26570 B11R1.28 FCCCCN1CCCOC1 34a_100000131196_100000729493 [0,1,0,1,0,0|2,0,0]=4 26571 B11R1.28 FCCCCN1CCOCC1 2230a_100015191051_100000729493 [0,1,0,1,0,0|2,0,0]=4 26572 B11R1.28 FCCCCN1CCOCC1 269982a_100015191051_100000729493 [0,1,0,1,0,0|2,0,0]=4 26573 B11R1.28 FCCCCN1CCOCC1 34a_100015191051_100000729493 [0,1,0,1,0,0|2,0,0]=4 26574 B11R1.28 FCCCCN1CCSCC1 2230a_100000737611_100000729493 [0,1,0,1,0,0|2,0,0]=4 26575 B11R1.28 FCCCCN1CCSCC1 269982a_100000737611_100000729493 [0,1,0,1,0,0|2,0,0]=4 26576 B11R1.28 FCCCNC1CCCCC1 2230a_100000182618_100011934791 [0,1,0,1,0,0|2,0,0]=4 26577 B11R1.28 FCCCNC1CCCCC1 270004a_100015189416_100000210434 [0,1,0,1,0,0|2,0,0]=4 26578 B11R1.28 FCCCNC1CCCCC1 34a_100000182618_100011934791 [0,1,0,1,0,0|2,0,0]=4 26579 B11R1.28 FCCCNC1CCCCC1 34a_100015189416_100000210327 [0,1,0,1,0,0|2,0,0]=4 26580 B11R1.28 FCCCNC1CCCOC1 2230a_100000719290_100011934791 [0,1,0,1,0,0|2,0,0]=4 26581 B11R1.28 FCCCNC1CCCOC1 270004a_100015189416_100000753404 [0,1,0,1,0,0|2,0,0]=4 26582 B11R1.28 FCCCNC1CCCOC1 34a_100000719290_100011934791 [0,1,0,1,0,0|2,0,0]=4 26583 B11R1.28 FCCCNC1CCCOC1 34a_100015189416_100000693364 [0,1,0,1,0,0|2,0,0]=4 26584 B11R1.28 FCCCNC1CCCSC1 270004a_100015189416_100000057913 [0,1,0,1,0,0|2,0,0]=4 26585 B11R1.28 FCCCNC1CCNCC1 270004a_100015189416_100015192401 [0,1,0,1,0,0|2,0,0]=4 26586 B11R1.28 FCCCNC1CCOCC1 2230a_100000741149_100011934791 [0,1,0,1,0,0|2,0,0]=4 26587 B11R1.28 FCCCNC1CCOCC1 270004a_100015189416_100011217826 [0,1,0,1,0,0|2,0,0]=4 26588 B11R1.28 FCCCNC1CCOCC1 34a_100000741149_100011934791 [0,1,0,1,0,0|2,0,0]=4 26589 B11R1.28 FCCCNC1CCSCC1 2230a_100000748639_100011934791 [0,1,0,1,0,0|2,0,0]=4 26590 B11R1.28 FCCCNC1CCSCC1 270004a_100015189416_100000203788 [0,1,0,1,0,0|2,0,0]=4 26591 B11R1.28 FCCCNC1CCSCC1 34a_100000748639_100011934791 [0,1,0,1,0,0|2,0,0]=4 26592 B11R1.28 FCCCNC1CCSCC1 34a_100015189416_100000069128 [0,1,0,1,0,0|2,0,0]=4 26593 B11R1.28 FCCCOC1C=CCCC1 34a_100011215024_100011934791 [0,1,0,1,0,0|1,0,1]=4 26594 B11R1.28 FCCCOC1CC=CCC1 34a_100000073881_100011934791 [0,1,0,1,0,0|1,0,1]=4 26595 B11R1.28 FCCCOC1CCCCC1 34a_100000210231_100011934791 [0,1,0,1,0,0|1,0,0]=3 26596 B11R1.28 FCCCOC1CCCCC1 34a_100000759539_100000210327 [0,1,0,1,0,0|1,0,0]=3 26597 B11R1.28 FCCCOC1CCCCC1 7a_100000210231_100011934791 [0,1,0,1,0,0|1,0,0]=3 26598 B11R1.28 FCCCOC1CCCCO1 34a_100000033831_100011934791 [0,1,0,1,0,0|1,0,0]=3 26599 B11R1.28 FCCCOC1CCCOC1 34a_100000754041_100011934791 [0,1,0,1,0,0|1,0,0]=3 26600 B11R1.28 FCCCOC1CCCOC1 34a_100000759539_100000693364 [0,1,0,1,0,0|1,0,0]=3 26601 B11R1.28 FCCCOC1CCCSC1 7a_100015962668_100011934791 [0,1,0,1,0,0|1,0,0]=3 26602 B11R1.28 FCCCOC1CCOCC1 34a_100000744328_100011934791 [0,1,0,1,0,0|1,0,0]=3 26603 B11R1.28 FCCCOC1CCSCC1 34a_100000731022_100011934791 [0,1,0,1,0,0|1,0,0]=3 26604 B11R1.28 FCCCOC1CCSCC1 34a_100000759539_100000069128 [0,1,0,1,0,0|1,0,0]=3 26605 B11R1.28 FCCCOC1CCSCC1 7a_100000731022_100011934791 [0,1,0,1,0,0|1,0,0]=3 26606 B11R1.28 FCCCSC1CCCCC1 62a_100000210327_100011934791 [0,1,0,1,0,0|1,1,0]=4 26607 B11R1.28 FCCCSC1CCCCC1 62a_100011934791_100000210327 [0,1,0,1,0,0|1,1,0]=4 26608 B11R1.28 FCCCSC1CCCOC1 62a_100011934791_100000693364 [0,1,0,1,0,0|1,1,0]=4 26609 B11R1.28 FCCCSC1CCOCC1 62a_100011934791_100011324220 [0,1,0,1,0,0|1,1,0]=4 26610 B11R1.28 FCCCSC1CCSCC1 62a_100011934791_100000069128 [0,1,0,1,0,0|1,1,0]=4 26611 B11R1.28 FCCNCC1CCCCC1 2230a_100000210473_100011217306 [0,1,0,1,0,0|2,0,0]=4 26612 B11R1.28 FCCNCC1CCCCC1 269862a_100000724931_100000211278 [0,1,0,1,0,0|2,0,0]=4 26613 B11R1.28 FCCNCC1CCCCC1 34a_100000210473_100011217306 [0,1,0,1,0,0|2,0,0]=4 26614 B11R1.28 FCCNCC1CCCCC1 34a_100000724931_100000211423 [0,1,0,1,0,0|2,0,0]=4 26615 B11R1.28 FCCNCC1CCCCO1 2230a_100000174945_100011217306 [0,1,0,1,0,0|1,0,0]=3 26616 B11R1.28 FCCNCC1CCCCO1 34a_100000174945_100011217306 [0,1,0,1,0,0|1,0,0]=3 26617 B11R1.28 FCCNCC1CCCCO1 34a_100000724931_100000211543 [0,1,0,1,0,0|1,0,0]=3 26618 B11R1.28 FCCNC[C@H]1COCCO1 2230a_100010981119_100011217306 [0,1,0,1,0,0|2,0,0]=4 26619 B11R1.28 FCCNC[C@H]1COCCO1 34a_100010981119_100011217306 [0,1,0,1,0,0|2,0,0]=4 26620 B11R1.28 FCCOCC1CCCCC1 34a_100000212181_100011217306 [0,1,0,1,0,0|2,0,0]=4 26621 B11R1.28 FCCOCC1CCCCC1 7a_100000212181_100011217306 [0,1,0,1,0,0|2,0,0]=4 26622 B11R1.28 FCCOCC1CCCCN1 34a_100000210821_100011217306 [0,1,0,1,0,0|2,0,0]=4 26623 B11R1.28 FCCOCC1CCCCO1 34a_100000211370_100011217306 [0,1,0,1,0,0|1,0,0]=3 26624 B11R1.28 FCCOCC1CCCCO1 7a_100000211370_100011217306 [0,1,0,1,0,0|1,0,0]=3 26625 B11R1.28 FCCOC[C@@H]1CNCCO1 34a_100015189573_100011217306 [0,1,0,1,0,0|2,0,0]=4 26626 B11R1.28 FCCOC[C@H]1COCCO1 34a_100009875890_100011217306 [0,1,0,1,0,0|2,0,0]=4 26627 B11R1.28 FCCSCC1CCCCC1 62a_100000211423_100011217306 [0,1,0,1,0,0|2,0,0]=4 26628 B11R1.28 FCCSCC1CCCCC1 62a_100011217306_100000211423 [0,1,0,1,0,0|2,0,0]=4 26629 B11R1.28 FCCSCC1CCCCO1 62a_100000211543_100011217306 [0,1,0,1,0,0|1,0,0]=3 26630 B11R1.28 FCCSCC1CCCCO1 62a_100011217306_100000211543 [0,1,0,1,0,0|1,0,0]=3 26631 B11R1.28 FCNCCC1CCCCC1 34a_100000738074_100015361967 [0,1,0,1,0,0|2,0,0]=4 26632 B11R1.28 FCNCCC1CCCCO1 34a_100015183643_100015361967 [0,1,0,1,0,0|1,0,0]=3 26633 B11R1.28 FCOCCC1CCCCC1 34a_100011217863_100015361967 [0,1,0,1,0,0|2,0,0]=4 26634 B11R1.28 FCOCCC1CCCCC1 7a_100011217863_100015361967 [0,1,0,1,0,0|2,0,0]=4 26635 B11R1.28 FCOCCC1CCCCN1 34a_100000211664_100015361967 [0,1,0,1,0,0|2,0,0]=4 26636 B11R1.28 FCSCCC1CCCCC1 62a_100012355289_100015361967 [0,1,0,1,0,0|2,0,0]=4 26637 B11R1.28 FCSCCC1CCCCC1 62a_100015361967_100012355289 [0,1,0,1,0,0|2,0,0]=4 26638 B11R1.28 FCSCCC1OCCCO1 62a_100000764188_100015361967 [0,1,0,1,0,0|2,0,0]=4 26639 B11R1.28 FCSCCC1OCCCO1 62a_100015361967_100000764188 [0,1,0,1,0,0|2,0,0]=4 26640 B11R1.28 FCSCCN1CCCCC1 62a_100000739454_100015361967 [0,1,0,1,0,0|2,0,0]=4 26641 B11R1.28 FCSCCN1CCCCC1 62a_100015361967_100000739454 [0,1,0,1,0,0|2,0,0]=4 26642 B11R1.28 FCSCOC1CCCCC1 62a_100011935260_100015361967 [0,1,0,1,0,0|2,0,0]=4 26643 B11R1.28 FCSCOC1CCCCC1 62a_100015361967_100011935260 [0,1,0,1,0,0|2,0,0]=4 26644 B11R1.28 N#CCCOC1CCCCC1 7a_100000210231_100000184422 [0,1,0,1,0,0|1,0,1]=4 26645 B11R1.28 N#CCCOC1CCCSC1 7a_100015962668_100000184422 [0,1,0,1,0,0|1,0,1]=4 26646 B11R1.28 N#CCCOC1CCSCC1 7a_100000731022_100000184422 [0,1,0,1,0,0|1,0,1]=4 26647 B11R1.28 N#CCNCC1CCCCO1 2230a_100000174945_100011215382 [0,1,0,1,0,0|1,0,1]=4 26648 B11R1.28 N#CCOCC1CCCCO1 7a_100000211370_100011215382 [0,1,0,1,0,0|1,0,1]=4 26649 B11R1.28 N#CCSCC1CCCCO1 62a_100000211543_100011215382 [0,1,0,1,0,0|1,0,1]=4 26650 B11R1.28 N#CCSCC1CCCCO1 62a_100011215382_100000211543 [0,1,0,1,0,0|1,0,1]=4 26651 B11R1.28 NCCCOC1CCCCC1 34a_100000182051_100000210327 [0,1,0,1,0,0|1,0,0]=3 26652 B11R1.28 NCCCOC1CCCOC1 34a_100000182051_100000693364 [0,1,0,1,0,0|1,0,0]=3 26653 B11R1.28 NCCCOC1CCSCC1 34a_100000182051_100000069128 [0,1,0,1,0,0|1,0,0]=3 26654 B11R1.28 NCCOCC1CCCCC1 34a_100000210304_100000211423 [0,1,0,1,0,0|2,0,0]=4 26655 B11R1.28 NCCOCC1CCCCO1 34a_100000210304_100000211543 [0,1,0,1,0,0|1,0,0]=3 26656 B11R1.28 NOCCOC1CCCCC1 34a_100000700252_100000210327 [0,1,0,1,0,0|2,0,0]=4 26657 B11R1.28 NOCCOC1CCCOC1 34a_100000700252_100000693364 [0,1,0,1,0,0|2,0,0]=4 26658 B11R1.28 NOCCOC1CCSCC1 34a_100000700252_100000069128 [0,1,0,1,0,0|2,0,0]=4 26659 B11R1.28 O=CCNCC1CCCCO1 2230a_100000174945_200015260668 [0,1,0,1,0,0|1,0,1]=4 26660 B11R1.28 O=CCNCC1CCCCO1 34a_100000174945_200009817547 [0,1,0,1,0,0|1,0,1]=4 26661 B11R1.28 O=CCOCC1CCCCO1 34a_100000211370_200009817547 [0,1,0,1,0,0|1,0,1]=4 26662 B11R1.28 O=CCOCC1CCCCO1 7a_100000211370_200015260668 [0,1,0,1,0,0|1,0,1]=4 26663 B11R1.28 O=CCSCC1CCCCO1 62a_100000211543_200015260668 [0,1,0,1,0,0|1,0,1]=4 26664 B11R1.28 O=CCSCC1CCCCO1 62a_200015260668_100000211543 [0,1,0,1,0,0|1,0,1]=4 26665 B11R1.28 OCCCCN1CCCOC1 2230a_100000131196_100000210776 [0,1,0,1,0,0|2,0,0]=4 26666 B11R1.28 OCCCCN1CCCOC1 269982a_100000131196_100000210776 [0,1,0,1,0,0|2,0,0]=4 26667 B11R1.28 OCCCCN1CCCOC1 34a_100000131196_100011216708 [0,1,0,1,0,0|2,0,0]=4 26668 B11R1.28 OCCCCN1CCOCC1 2230a_100015191051_100000210776 [0,1,0,1,0,0|2,0,0]=4 26669 B11R1.28 OCCCCN1CCOCC1 269982a_100015191051_100000210776 [0,1,0,1,0,0|2,0,0]=4 26670 B11R1.28 OCCCCN1CCOCC1 34a_100015191051_100011216708 [0,1,0,1,0,0|2,0,0]=4 26671 B11R1.28 OCCCCN1CCSCC1 2230a_100000737611_100000210776 [0,1,0,1,0,0|2,0,0]=4 26672 B11R1.28 OCCCCN1CCSCC1 269982a_100000737611_100000210776 [0,1,0,1,0,0|2,0,0]=4 26673 B11R1.28 OCCCNC1CCCCC1 2230a_100000182618_100000230001 [0,1,0,1,0,0|2,0,0]=4 26674 B11R1.28 OCCCNC1CCCCC1 270004a_100000182051_100000210434 [0,1,0,1,0,0|2,0,0]=4 26675 B11R1.28 OCCCNC1CCCCC1 34a_100000182618_100000230001 [0,1,0,1,0,0|2,0,0]=4 26676 B11R1.28 OCCCNC1CCCOC1 2230a_100000719290_100000230001 [0,1,0,1,0,0|2,0,0]=4 26677 B11R1.28 OCCCNC1CCCOC1 270004a_100000182051_100000753404 [0,1,0,1,0,0|2,0,0]=4 26678 B11R1.28 OCCCNC1CCCOC1 34a_100000719290_100000230001 [0,1,0,1,0,0|2,0,0]=4 26679 B11R1.28 OCCCNC1CCCSC1 270004a_100000182051_100000057913 [0,1,0,1,0,0|2,0,0]=4 26680 B11R1.28 OCCCNC1CCNCC1 270004a_100000182051_100015192401 [0,1,0,1,0,0|2,0,0]=4 26681 B11R1.28 OCCCNC1CCOCC1 2230a_100000741149_100000230001 [0,1,0,1,0,0|2,0,0]=4 26682 B11R1.28 OCCCNC1CCOCC1 270004a_100000182051_100011217826 [0,1,0,1,0,0|2,0,0]=4 26683 B11R1.28 OCCCNC1CCOCC1 34a_100000741149_100000230001 [0,1,0,1,0,0|2,0,0]=4 26684 B11R1.28 OCCCNC1CCSCC1 2230a_100000748639_100000230001 [0,1,0,1,0,0|2,0,0]=4 26685 B11R1.28 OCCCNC1CCSCC1 270004a_100000182051_100000203788 [0,1,0,1,0,0|2,0,0]=4 26686 B11R1.28 OCCCNC1CCSCC1 34a_100000748639_100000230001 [0,1,0,1,0,0|2,0,0]=4 26687 B11R1.28 OCCCOC1C=CCCC1 34a_100011215024_100000230001 [0,1,0,1,0,0|1,0,1]=4 26688 B11R1.28 OCCCOC1CC=CCC1 34a_100000073881_100000230001 [0,1,0,1,0,0|1,0,1]=4 26689 B11R1.28 OCCCOC1CCCCC1 34a_100000210231_100000230001 [0,1,0,1,0,0|1,0,0]=3 26690 B11R1.28 OCCCOC1CCCCC1 7a_100000210231_100011215043 [0,1,0,1,0,0|1,0,0]=3 26691 B11R1.28 OCCCOC1CCCCO1 34a_100000033831_100000230001 [0,1,0,1,0,0|1,0,0]=3 26692 B11R1.28 OCCCOC1CCCOC1 34a_100000754041_100000230001 [0,1,0,1,0,0|1,0,0]=3 26693 B11R1.28 OCCCOC1CCCSC1 7a_100015962668_100011215043 [0,1,0,1,0,0|1,0,0]=3 26694 B11R1.28 OCCCOC1CCOCC1 34a_100000744328_100000230001 [0,1,0,1,0,0|1,0,0]=3 26695 B11R1.28 OCCCOC1CCSCC1 34a_100000731022_100000230001 [0,1,0,1,0,0|1,0,0]=3 26696 B11R1.28 OCCCOC1CCSCC1 7a_100000731022_100011215043 [0,1,0,1,0,0|1,0,0]=3 26697 B11R1.28 OCCCSC1CCCCC1 62a_100000210327_100011215043 [0,1,0,1,0,0|1,1,0]=4 26698 B11R1.28 OCCCSC1CCCCC1 62a_100011215043_100000210327 [0,1,0,1,0,0|1,1,0]=4 26699 B11R1.28 OCCCSC1CCCOC1 62a_100011215043_100000693364 [0,1,0,1,0,0|1,1,0]=4 26700 B11R1.28 OCCCSC1CCOCC1 62a_100011215043_100011324220 [0,1,0,1,0,0|1,1,0]=4 26701 B11R1.28 OCCCSC1CCSCC1 62a_100011215043_100000069128 [0,1,0,1,0,0|1,1,0]=4 26702 B11R1.28 OCCNCC1CCCCC1 2230a_100000210473_100000211926 [0,1,0,1,0,0|2,0,0]=4 26703 B11R1.28 OCCNCC1CCCCC1 2230a_100016997473_100000211423 [0,1,0,1,0,0|2,0,0]=4 26704 B11R1.28 OCCNCC1CCCCC1 269862a_100000210304_100000211278 [0,1,0,1,0,0|2,0,0]=4 26705 B11R1.28 OCCNCC1CCCCC1 34a_100000210473_100000211926 [0,1,0,1,0,0|2,0,0]=4 26706 B11R1.28 OCCNCC1CCCCC1 34a_100016990907_100000211423 [0,1,0,1,0,0|2,0,0]=4 26707 B11R1.28 OCCNCC1CCCCO1 2230a_100000174945_100000211926 [0,1,0,1,0,0|1,0,0]=3 26708 B11R1.28 OCCNCC1CCCCO1 2230a_100016997473_100000211543 [0,1,0,1,0,0|1,0,0]=3 26709 B11R1.28 OCCNCC1CCCCO1 34a_100000174945_100000211926 [0,1,0,1,0,0|1,0,0]=3 26710 B11R1.28 OCCNCC1CCCCO1 34a_100016990907_100000211543 [0,1,0,1,0,0|1,0,0]=3 26711 B11R1.28 OCCNC[C@H]1COCCO1 2230a_100010981119_100000211926 [0,1,0,1,0,0|2,0,0]=4 26712 B11R1.28 OCCNC[C@H]1COCCO1 34a_100010981119_100000211926 [0,1,0,1,0,0|2,0,0]=4 26713 B11R1.28 OCCOCC1CCCCC1 34a_100000212181_100000211926 [0,1,0,1,0,0|2,0,0]=4 26714 B11R1.28 OCCOCC1CCCCC1 7a_100000212181_100000211926 [0,1,0,1,0,0|2,0,0]=4 26715 B11R1.28 OCCOCC1CCCCN1 34a_100000210821_100000211926 [0,1,0,1,0,0|2,0,0]=4 26716 B11R1.28 OCCOCC1CCCCO1 34a_100000211370_100000211926 [0,1,0,1,0,0|1,0,0]=3 26717 B11R1.28 OCCOCC1CCCCO1 7a_100000211370_100000211926 [0,1,0,1,0,0|1,0,0]=3 26718 B11R1.28 OCCOC[C@@H]1CNCCO1 34a_100015189573_100000211926 [0,1,0,1,0,0|2,0,0]=4 26719 B11R1.28 OCCOC[C@H]1COCCO1 34a_100009875890_100000211926 [0,1,0,1,0,0|2,0,0]=4 26720 B11R1.28 OCCSCC1CCCCC1 62a_100000211423_100000211926 [0,1,0,1,0,0|2,0,0]=4 26721 B11R1.28 OCCSCC1CCCCC1 62a_100000211926_100000211423 [0,1,0,1,0,0|2,0,0]=4 26722 B11R1.28 OCCSCC1CCCCO1 62a_100000211543_100000211926 [0,1,0,1,0,0|1,0,0]=3 26723 B11R1.28 OCCSCC1CCCCO1 62a_100000211926_100000211543 [0,1,0,1,0,0|1,0,0]=3 26724 B11R1.28 [13CH3]NCCCC1CCCCC1 2230a_100011211642_200025704644 [0,1,0,1,0,0|1,0,0]=3 26725 B11R1.28 [13CH3]NCCCC1CCCCC1 34a_100011211642_200025704644 [0,1,0,1,0,0|1,0,0]=3 26726 B11R1.28 [13CH3]NCCOC1CCCCC1 34a_100015206981_200025704644 [0,1,0,1,0,0|1,0,0]=3 26727 B11R1.28 [13CH3]OCCCC1CCCCC1 34a_100000198086_200025704644 [0,1,0,1,0,0|1,0,0]=3 26728 B11R1.28 [13CH3]OCCCC1CCCCC1 7a_100000198086_200025704644 [0,1,0,1,0,0|1,0,0]=3 26729 B11R1.28 [13CH3]OCCCC1CCCCN1 34a_100011934581_200025704644 [0,1,0,1,0,0|1,0,0]=3 26730 B11R1.28 [13CH3]OCCCC1CCCNC1 34a_100150707839_200025704644 [0,1,0,1,0,0|2,0,0]=4 26731 B11R1.28 [13CH3]OCCCC1CCNCC1 34a_100016988962_200025704644 [0,1,0,1,0,0|2,0,0]=4 26732 B11R1.28 [13CH3]OCCCN1CCCCC1 34a_100000212458_200025704644 [0,1,0,1,0,0|1,0,0]=3 26733 B11R1.28 [13CH3]OCCCN1CCOCC1 34a_100000212840_200025704644 [0,1,0,1,0,0|2,0,0]=4 26734 B11R1.28 [13CH3]OCCNC1CCCCC1 34a_100000200466_200025704644 [0,1,0,1,0,0|2,0,0]=4 26735 B11R1.28 [13CH3]OCCNC1CCOCC1 34a_100000708129_200025704644 [0,1,0,1,0,0|2,0,0]=4 26736 B11R1.28 [13CH3]OCCOC1CCCCC1 34a_100011249652_200025704644 [0,1,0,1,0,0|1,0,0]=3 26737 B11R1.28 [13CH3]OCCOC1CCCCC1 7a_100011249652_200025704644 [0,1,0,1,0,0|1,0,0]=3 26738 B11R1.28 [13CH3]OCCOC1CCCCO1 34a_100000034223_200025704644 [0,1,0,1,0,0|1,0,0]=3 26739 B11R1.28 [13CH3]OCCOC1CCCCO1 7a_100000034223_200025704644 [0,1,0,1,0,0|1,0,0]=3 26740 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_100011713725_200025704644 [0,1,0,1,0,0|1,0,0]=3 26741 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_200025704644_100011713725 [0,1,0,1,0,0|1,0,0]=3 26742 B11R1.28 [13CH3]SCCCN1CCCCC1 62a_100132302099_200025704644 [0,1,0,1,0,0|1,0,0]=3 26743 B11R1.28 [13CH3]SCCCN1CCCCC1 62a_200025704644_100000007876 [0,1,0,1,0,0|1,0,0]=3 26744 B11R1.28 [13CH3]SCCCN1CCOCC1 62a_200025704644_100000748698 [0,1,0,1,0,0|2,0,0]=4 26745 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_100011211530_200025704644 [0,1,0,1,0,0|1,0,0]=3 26746 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_200025704644_100011211530 [0,1,0,1,0,0|1,0,0]=3 26747 B11R1.28 [13CH3]SCCOC1CCCCO1 62a_100000744793_200025704644 [0,1,0,1,0,0|1,0,0]=3 26748 B11R1.28 [13CH3]SCCOC1CCCCO1 62a_200025704644_100000744793 [0,1,0,1,0,0|1,0,0]=3 26749 B11R1.41 C#CCN1CCOC[C@@H]1CC 2230a_100016988097_100000038162 [0,1,0,1,0,0|0,0,2]=4 26750 B11R1.41 C#CCN1CCOC[C@@H]1CC 34a_100016988097_100000184674 [0,1,0,1,0,0|0,0,2]=4 26751 B11R1.41 C=CCN1CCOC[C@@H]1CC 2230a_100016988097_100000210623 [0,1,0,1,0,0|0,0,2]=4 26752 B11R1.41 C=CCN1CCOC[C@@H]1CC 269982a_100016988097_100000210623 [0,1,0,1,0,0|0,0,2]=4 26753 B11R1.41 C=CCN1CCOC[C@@H]1CC 34a_100016988097_100015514636 [0,1,0,1,0,0|0,0,2]=4 26754 B11R1.41 CCC1CCCCC1OCF 34a_100000210738_100015361967 [0,1,0,1,0,0|2,0,0]=4 26755 B11R1.41 CCC1CCCCC1OCF 7a_100000210738_100015361967 [0,1,0,1,0,0|2,0,0]=4 26756 B11R1.41 CCC1CCCCN1CCF 2230a_100000210034_100011217306 [0,1,0,1,0,0|2,0,0]=4 26757 B11R1.41 CCC1CCCCN1CCF 269982a_100000210034_100011217306 [0,1,0,1,0,0|2,0,0]=4 26758 B11R1.41 CCC1CCCCN1CCF 34a_100000210034_100011217306 [0,1,0,1,0,0|2,0,0]=4 26759 B11R1.41 CCC1CCCCN1CCO 2230a_100000210034_100000211926 [0,1,0,1,0,0|2,0,0]=4 26760 B11R1.41 CCC1CCCCN1CCO 269982a_100000210034_100000211926 [0,1,0,1,0,0|2,0,0]=4 26761 B11R1.41 CCC1CCCCN1CCO 34a_100000210034_100000211926 [0,1,0,1,0,0|2,0,0]=4 26762 B11R1.41 CCC1CCCCN1COC 2230a_100000210034_100000766300 [0,1,0,1,0,0|2,0,0]=4 26763 B11R1.41 CCC1CCCCN1COC 269982a_100000210034_100000766300 [0,1,0,1,0,0|2,0,0]=4 26764 B11R1.41 CCC1CCCCN1CSC 2230a_100000210034_100011218213 [0,1,0,1,0,0|2,0,0]=4 26765 B11R1.41 CCC1CCCCN1CSC 269982a_100000210034_100011218213 [0,1,0,1,0,0|2,0,0]=4 26766 B11R1.41 CCC1CCCCN1CSC 34a_100000210034_100011218213 [0,1,0,1,0,0|2,0,0]=4 26767 B11R1.41 CCCC1CCCCC1NC 269862a_106832991636_100011218038 [0,1,0,1,0,0|1,0,0]=3 26768 B11R1.41 CCCC1CCCCC1NC 270004a_106832991635_100011218038 [0,1,0,1,0,0|1,0,0]=3 26769 B11R1.41 CCCC1CCCCC1OC 34a_100011217265_200000210301 [0,1,0,1,0,0|1,0,0]=3 26770 B11R1.41 CCCC1CCCCC1OC 7a_100011217265_200000210301 [0,1,0,1,0,0|1,0,0]=3 26771 B11R1.41 CCCC1CCCCC1O[13CH3] 34a_100011217265_200025704644 [0,1,0,1,0,0|1,0,0]=3 26772 B11R1.41 CCCC1CCCCC1O[13CH3] 7a_100011217265_200025704644 [0,1,0,1,0,0|1,0,0]=3 26773 B11R1.41 CCCC1CCCCN1CC 2230a_100000701414_100000210202 [0,1,0,1,0,0|1,0,0]=3 26774 B11R1.41 CCCC1CCCCN1CC 269982a_100000701414_100000204670 [0,1,0,1,0,0|1,0,0]=3 26775 B11R1.41 CCCC1CCCCN1CC 34a_100000701414_100000210202 [0,1,0,1,0,0|1,0,0]=3 26776 B11R1.41 CCCC1CCCCN1CF 269982a_100000701414_100015361967 [0,1,0,1,0,0|2,0,0]=4 26777 B11R1.41 CCCC1CCCCN1CF 34a_100000701414_100015361967 [0,1,0,1,0,0|2,0,0]=4 26778 B11R1.41 CCCC1COCCN1CC 2230a_102495339903_100000210202 [0,1,0,1,0,0|0,0,0]=2 26779 B11R1.41 CCCC1COCCN1CC 269982a_102495339903_100000204670 [0,1,0,1,0,0|0,0,0]=2 26780 B11R1.41 CCCC1COCCN1CC 34a_102495339903_100000210202 [0,1,0,1,0,0|0,0,0]=2 26781 B11R1.41 CCCC1COCCN1CF 269982a_102495339903_100015361967 [0,1,0,1,0,0|1,0,0]=3 26782 B11R1.41 CCCC1COCCN1CF 34a_102495339903_100015361967 [0,1,0,1,0,0|1,0,0]=3 26783 B11R1.41 CCCN1CCCCC1CC 2230a_100000210034_100000210303 [0,1,0,1,0,0|1,0,0]=3 26784 B11R1.41 CCCN1CCCCC1CC 269982a_100000210034_100000210303 [0,1,0,1,0,0|1,0,0]=3 26785 B11R1.41 CCCN1CCCCC1CC 34a_100000210034_100000210303 [0,1,0,1,0,0|1,0,0]=3 26786 B11R1.41 CCCN1CCCCC1CO 2230a_100000210821_100000210303 [0,1,0,1,0,0|2,0,0]=4 26787 B11R1.41 CCCN1CCCCC1CO 269982a_100000210821_100000210303 [0,1,0,1,0,0|2,0,0]=4 26788 B11R1.41 CCCN1CCCCC1CO 34a_100000210821_100000210303 [0,1,0,1,0,0|2,0,0]=4 26789 B11R1.41 CCCN1CCOC[C@@H]1CC 2230a_100016988097_100000210303 [0,1,0,1,0,0|0,0,0]=2 26790 B11R1.41 CCCN1CCOC[C@@H]1CC 269982a_100016988097_100000210303 [0,1,0,1,0,0|0,0,0]=2 26791 B11R1.41 CCCN1CCOC[C@@H]1CC 34a_100016988097_100000210303 [0,1,0,1,0,0|0,0,0]=2 26792 B11R1.41 CCCN1CCOC[C@H]1CO 2230a_100000717676_100000210303 [0,1,0,1,0,0|1,0,0]=3 26793 B11R1.41 CCCN1CCOC[C@H]1CO 269982a_100000717676_100000210303 [0,1,0,1,0,0|1,0,0]=3 26794 B11R1.41 CCCN1CCOC[C@H]1CO 34a_100000717676_100000210303 [0,1,0,1,0,0|1,0,0]=3 26795 B11R1.41 CCN1CCCCC1CCO 2230a_100000211664_100000210202 [0,1,0,1,0,0|2,0,0]=4 26796 B11R1.41 CCN1CCCCC1CCO 269982a_100000211664_100000204670 [0,1,0,1,0,0|2,0,0]=4 26797 B11R1.41 CCN1CCCCC1CCO 34a_100000211664_100000210202 [0,1,0,1,0,0|2,0,0]=4 26798 B11R1.41 CCN1CCCCC1CNC 2230a_100000754393_200000210301 [0,1,0,1,0,0|2,0,0]=4 26799 B11R1.41 CCN1CCCCC1CNC 34a_100000754393_200000210301 [0,1,0,1,0,0|2,0,0]=4 26800 B11R1.41 CCN1CCCCC1CN[13CH3] 2230a_100000754393_200025704644 [0,1,0,1,0,0|2,0,0]=4 26801 B11R1.41 CCN1CCCCC1CN[13CH3] 34a_100000754393_200025704644 [0,1,0,1,0,0|2,0,0]=4 26802 B11R1.41 CCN1CCCCC1COC 2230a_100015184032_100000210202 [0,1,0,1,0,0|2,0,0]=4 26803 B11R1.41 CCN1CCCCC1COC 269982a_100015184032_100000204670 [0,1,0,1,0,0|2,0,0]=4 26804 B11R1.41 CCN1CCCCC1COC 34a_100000225091_200000210301 [0,1,0,1,0,0|2,0,0]=4 26805 B11R1.41 CCN1CCCCC1COC 34a_100015184032_100000210202 [0,1,0,1,0,0|2,0,0]=4 26806 B11R1.41 CCN1CCCCC1COC 7a_100000225091_200000210301 [0,1,0,1,0,0|2,0,0]=4 26807 B11R1.41 CCN1CCCCC1CO[13CH3] 34a_100000225091_200025704644 [0,1,0,1,0,0|2,0,0]=4 26808 B11R1.41 CCN1CCCCC1CO[13CH3] 7a_100000225091_200025704644 [0,1,0,1,0,0|2,0,0]=4 26809 B11R1.41 CCN1CCOC[C@@H]1COC 2230a_100016989928_100000210202 [0,1,0,1,0,0|1,0,0]=3 26810 B11R1.41 CCN1CCOC[C@@H]1COC 269982a_100016989928_100000204670 [0,1,0,1,0,0|1,0,0]=3 26811 B11R1.41 CCN1CCOC[C@@H]1COC 34a_100016989928_100000210202 [0,1,0,1,0,0|1,0,0]=3 26812 B11R1.41 CCNC1CCCCC1CC 269862a_100015525214_100000757040 [0,1,0,1,0,0|1,0,0]=3 26813 B11R1.41 CCNC1CCCCC1CC 270004a_100015525214_100000757040 [0,1,0,1,0,0|1,0,0]=3 26814 B11R1.41 CCNC1CCCCC1CO 270004a_100015525214_100009861125 [0,1,0,1,0,0|2,0,0]=4 26815 B11R1.41 CCNC1CCCCC1OC 270004a_100015525214_100000740605 [0,1,0,1,0,0|2,0,0]=4 26816 B11R1.41 CCNC1CCCCC1OC 34a_100011208099_100000210202 [0,1,0,1,0,0|2,0,0]=4 26817 B11R1.41 CCNC1CCOCC1CO 2230a_214813039666_100000210202 [0,1,0,1,0,0|1,0,0]=3 26818 B11R1.41 CCNC1CCOCC1CO 34a_214813039666_100000210202 [0,1,0,1,0,0|1,0,0]=3 26819 B11R1.41 CCNC1CCOCC1OC 270004a_100015525214_100000095984 [0,1,0,1,0,0|1,0,0]=3 26820 B11R1.41 CCOC1CCCCC1CC 34a_100000210738_100000210202 [0,1,0,1,0,0|1,0,0]=3 26821 B11R1.41 CCOC1CCCCC1CC 7a_100000210738_100000210202 [0,1,0,1,0,0|1,0,0]=3 26822 B11R1.41 CCOC1CCCCC1CN 34a_100011216029_100000210202 [0,1,0,1,0,0|2,0,0]=4 26823 B11R1.41 CCOC1CCCCC1NC 270004a_106832991635_200000031474 [0,1,0,1,0,0|2,0,0]=4 26824 B11R1.41 CCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210202 [0,1,0,1,0,0|2,0,0]=4 26825 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210202 [0,1,0,1,0,0|2,0,0]=4 26826 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210202 [0,1,0,1,0,0|2,0,0]=4 26827 B11R1.41 CC[C@H]1COCCN1CC#N 2230a_100016988097_100011215382 [0,1,0,1,0,0|1,0,1]=4 26828 B11R1.41 CC[C@H]1COCCN1CC#N 269982a_100016988097_100011214920 [0,1,0,1,0,0|1,0,1]=4 26829 B11R1.41 CC[C@H]1COCCN1CC=O 2230a_100016988097_200015260668 [0,1,0,1,0,0|1,0,1]=4 26830 B11R1.41 CC[C@H]1COCCN1CC=O 269982a_100016988097_200015260668 [0,1,0,1,0,0|1,0,1]=4 26831 B11R1.41 CC[C@H]1COCCN1CC=O 34a_100016988097_200009817547 [0,1,0,1,0,0|1,0,1]=4 26832 B11R1.41 CC[C@H]1COCCN1CCF 2230a_100016988097_100011217306 [0,1,0,1,0,0|1,0,0]=3 26833 B11R1.41 CC[C@H]1COCCN1CCF 269982a_100016988097_100011217306 [0,1,0,1,0,0|1,0,0]=3 26834 B11R1.41 CC[C@H]1COCCN1CCF 34a_100016988097_100011217306 [0,1,0,1,0,0|1,0,0]=3 26835 B11R1.41 CC[C@H]1COCCN1CCO 2230a_100016988097_100000211926 [0,1,0,1,0,0|1,0,0]=3 26836 B11R1.41 CC[C@H]1COCCN1CCO 269982a_100016988097_100000211926 [0,1,0,1,0,0|1,0,0]=3 26837 B11R1.41 CC[C@H]1COCCN1CCO 34a_100016988097_100000211926 [0,1,0,1,0,0|1,0,0]=3 26838 B11R1.41 CC[C@H]1COCCN1COC 2230a_100016988097_100000766300 [0,1,0,1,0,0|1,0,0]=3 26839 B11R1.41 CC[C@H]1COCCN1COC 269982a_100016988097_100000766300 [0,1,0,1,0,0|1,0,0]=3 26840 B11R1.41 CC[C@H]1COCCN1CSC 2230a_100016988097_100011218213 [0,1,0,1,0,0|1,0,0]=3 26841 B11R1.41 CC[C@H]1COCCN1CSC 269982a_100016988097_100011218213 [0,1,0,1,0,0|1,0,0]=3 26842 B11R1.41 CC[C@H]1COCCN1CSC 34a_100016988097_100011218213 [0,1,0,1,0,0|1,0,0]=3 26843 B11R1.41 COCN1CCOC[C@H]1CO 2230a_100000717676_100000766300 [0,1,0,1,0,0|2,0,0]=4 26844 B11R1.41 COCN1CCOC[C@H]1CO 269982a_100000717676_100000766300 [0,1,0,1,0,0|2,0,0]=4 26845 B11R1.41 COC[C@H]1COCCN1CF 269982a_100016989928_100015361967 [0,1,0,1,0,0|2,0,0]=4 26846 B11R1.41 COC[C@H]1COCCN1CF 34a_100016989928_100015361967 [0,1,0,1,0,0|2,0,0]=4 26847 B11R1.41 CSCN1CCOC[C@H]1CO 2230a_100000717676_100011218213 [0,1,0,1,0,0|2,0,0]=4 26848 B11R1.41 CSCN1CCOC[C@H]1CO 269982a_100000717676_100011218213 [0,1,0,1,0,0|2,0,0]=4 26849 B11R1.41 CSCN1CCOC[C@H]1CO 34a_100000717676_100011218213 [0,1,0,1,0,0|2,0,0]=4 26850 B11R1.41 OCC1COCCC1NCF 34a_214813039666_100015361967 [0,1,0,1,0,0|2,0,0]=4 26851 B11R1.41 OCCN1CCOC[C@H]1CO 2230a_100000717676_100000211926 [0,1,0,1,0,0|2,0,0]=4 26852 B11R1.41 OCCN1CCOC[C@H]1CO 269982a_100000717676_100000211926 [0,1,0,1,0,0|2,0,0]=4 26853 B11R1.41 OCCN1CCOC[C@H]1CO 34a_100000717676_100000211926 [0,1,0,1,0,0|2,0,0]=4 26854 B11R1.41 OC[C@@H]1COCCN1CCF 2230a_100000717676_100011217306 [0,1,0,1,0,0|2,0,0]=4 26855 B11R1.41 OC[C@@H]1COCCN1CCF 269982a_100000717676_100011217306 [0,1,0,1,0,0|2,0,0]=4 26856 B11R1.41 OC[C@@H]1COCCN1CCF 34a_100000717676_100011217306 [0,1,0,1,0,0|2,0,0]=4 26857 B11R1.47 BrCCCCCOC1CCC1 34a_100000746331_100000749161 [0,1,0,1,0,0|0,0,0]=2 26858 B11R1.47 BrCCCCCOC1COC1 34a_100000746331_100009818527 [0,1,0,1,0,0|1,0,0]=3 26859 B11R1.47 BrCCCCCOC1COC1 7a_100000746331_100009818527 [0,1,0,1,0,0|1,0,0]=3 26860 B11R1.47 BrCCCCOCC1CCC1 34a_100011216708_100000763275 [0,1,0,1,0,0|0,0,0]=2 26861 B11R1.47 BrCCCCOCC1CCO1 34a_100011216708_100000103362 [0,1,0,1,0,0|1,0,0]=3 26862 B11R1.47 BrCCCCOCC1COC1 34a_100011216708_100010264016 [0,1,0,1,0,0|1,0,0]=3 26863 B11R1.47 BrCCOCCOC1CCC1 34a_100000692535_100000749161 [0,1,0,1,0,0|1,0,0]=3 26864 B11R1.47 BrCCOCCOC1COC1 34a_100000692535_100009818527 [0,1,0,1,0,0|2,0,0]=4 26865 B11R1.47 BrCCOCCOC1COC1 7a_100000692535_100009818527 [0,1,0,1,0,0|2,0,0]=4 26866 B11R1.47 C#CCCCCNC1CCC1 2230a_100000749019_100010269958 [0,1,0,1,0,0|1,0,1]=4 26867 B11R1.47 C#CCCCCNC1CCC1 34a_100000706060_100000749161 [0,1,0,1,0,0|1,0,1]=4 26868 B11R1.47 C#CCCCCNC1CCC1 34a_100000749019_100010269958 [0,1,0,1,0,0|1,0,1]=4 26869 B11R1.47 C#CCCCCOC1CCC1 34a_100000748187_100010269958 [0,1,0,1,0,0|0,0,1]=3 26870 B11R1.47 C#CCCCCOC1CCC1 34a_100000766709_100000749161 [0,1,0,1,0,0|0,0,1]=3 26871 B11R1.47 C#CCCCCOC1COC1 34a_100000766709_100009818527 [0,1,0,1,0,0|1,0,1]=4 26872 B11R1.47 C#CCCCCOC1COC1 7a_100000766709_100009818527 [0,1,0,1,0,0|1,0,1]=4 26873 B11R1.47 C#CCCCCOC1CSC1 7a_100000072292_100010269958 [0,1,0,1,0,0|1,0,1]=4 26874 B11R1.47 C#CCCCCSC1CCC1 62a_100010269958_100000749161 [0,1,0,1,0,0|0,1,1]=4 26875 B11R1.47 C#CCCCNCC1CCC1 2230a_100000738700_100000731252 [0,1,0,1,0,0|1,0,1]=4 26876 B11R1.47 C#CCCCNCC1CCC1 34a_100000718082_100000763275 [0,1,0,1,0,0|1,0,1]=4 26877 B11R1.47 C#CCCCNCC1CCC1 34a_100000738700_100000695029 [0,1,0,1,0,0|1,0,1]=4 26878 B11R1.47 C#CCCCOCC1CCC1 34a_100000215630_100000763275 [0,1,0,1,0,0|0,0,1]=3 26879 B11R1.47 C#CCCCOCC1CCC1 34a_100000760304_100000695029 [0,1,0,1,0,0|0,0,1]=3 26880 B11R1.47 C#CCCCOCC1CCC1 7a_100000215630_100000763275 [0,1,0,1,0,0|0,0,1]=3 26881 B11R1.47 C#CCCCOCC1CCO1 34a_100000039022_100000695029 [0,1,0,1,0,0|0,0,2]=4 26882 B11R1.47 C#CCCCOCC1CCO1 34a_100000215630_100000103362 [0,1,0,1,0,0|0,0,2]=4 26883 B11R1.47 C#CCCCOCC1CCO1 7a_100000215630_100000103362 [0,1,0,1,0,0|0,0,2]=4 26884 B11R1.47 C#CCCCOCC1CNC1 34a_100016987283_100000695029 [0,1,0,1,0,0|0,0,2]=4 26885 B11R1.47 C#CCCCOCC1COC1 34a_100000060846_100000695029 [0,1,0,1,0,0|0,0,2]=4 26886 B11R1.47 C#CCCCOCC1COC1 34a_100000215630_100010264016 [0,1,0,1,0,0|0,0,2]=4 26887 B11R1.47 C#CCCCOCC1COC1 7a_100000215630_100010264016 [0,1,0,1,0,0|0,0,2]=4 26888 B11R1.47 C#CCCCSCC1CCC1 62a_100000763275_100011215417 [0,1,0,1,0,0|0,1,1]=4 26889 B11R1.47 C#CCCCSCC1CCC1 62a_100011215417_100000763275 [0,1,0,1,0,0|0,1,1]=4 26890 B11R1.47 C#CCCOCCC1COC1 34a_100009855314_100000688953 [0,1,0,1,0,0|0,0,2]=4 26891 B11R1.47 C#CCOCCOC1CCC1 34a_100000054580_100000749161 [0,1,0,1,0,0|0,0,2]=4 26892 B11R1.47 C#CCOCCOC1CCC1 34a_100000748187_100010402529 [0,1,0,1,0,0|0,0,2]=4 26893 B11R1.47 C/C=C/CCOCC1CCC1 34a_100016278192_100000763275 [0,1,0,1,0,0|0,0,1]=3 26894 B11R1.47 C/C=C/CCOCC1CCO1 34a_100016278192_100000103362 [0,1,0,1,0,0|0,0,2]=4 26895 B11R1.47 C/C=C/CCOCC1COC1 34a_100016278192_100010264016 [0,1,0,1,0,0|0,0,2]=4 26896 B11R1.47 C/C=C/COCCC1COC1 34a_100009855314_100102629194 [0,1,0,1,0,0|0,0,2]=4 26897 B11R1.47 C=CCCCCNC1CCC1 2230a_100000749019_100011215482 [0,1,0,1,0,0|1,0,1]=4 26898 B11R1.47 C=CCCCCNC1CCC1 270004a_100000703577_100000241760 [0,1,0,1,0,0|1,0,1]=4 26899 B11R1.47 C=CCCCCNC1CCC1 34a_100000703577_100000749161 [0,1,0,1,0,0|1,0,1]=4 26900 B11R1.47 C=CCCCCNC1CCC1 34a_100000749019_100011215482 [0,1,0,1,0,0|1,0,1]=4 26901 B11R1.47 C=CCCCCOC1CCC1 34a_100000748187_100011215482 [0,1,0,1,0,0|0,0,1]=3 26902 B11R1.47 C=CCCCCOC1CCC1 34a_100000766645_100000749161 [0,1,0,1,0,0|0,0,1]=3 26903 B11R1.47 C=CCCCCOC1COC1 34a_100000766645_100009818527 [0,1,0,1,0,0|1,0,1]=4 26904 B11R1.47 C=CCCCCOC1COC1 7a_100000766645_100009818527 [0,1,0,1,0,0|1,0,1]=4 26905 B11R1.47 C=CCCCCOC1CSC1 7a_100000072292_100011215482 [0,1,0,1,0,0|1,0,1]=4 26906 B11R1.47 C=CCCCCSC1CCC1 62a_100011215482_100000749161 [0,1,0,1,0,0|0,1,1]=4 26907 B11R1.47 C=CCCCNCC1CCC1 2230a_100000700776_100000763275 [0,1,0,1,0,0|1,0,1]=4 26908 B11R1.47 C=CCCCNCC1CCC1 2230a_100000738700_100011713584 [0,1,0,1,0,0|1,0,1]=4 26909 B11R1.47 C=CCCCNCC1CCC1 269862a_100000700776_100000753134 [0,1,0,1,0,0|1,0,1]=4 26910 B11R1.47 C=CCCCNCC1CCC1 34a_100000700776_100000763275 [0,1,0,1,0,0|1,0,1]=4 26911 B11R1.47 C=CCCCNCC1CCC1 34a_100000738700_100000757094 [0,1,0,1,0,0|1,0,1]=4 26912 B11R1.47 C=CCCCOCC1CCC1 34a_100000758997_100000763275 [0,1,0,1,0,0|0,0,1]=3 26913 B11R1.47 C=CCCCOCC1CCC1 34a_100000760304_100000757094 [0,1,0,1,0,0|0,0,1]=3 26914 B11R1.47 C=CCCCOCC1CCC1 7a_100000758997_100000763275 [0,1,0,1,0,0|0,0,1]=3 26915 B11R1.47 C=CCCCOCC1CCO1 34a_100000039022_100000757094 [0,1,0,1,0,0|0,0,2]=4 26916 B11R1.47 C=CCCCOCC1CCO1 34a_100000758997_100000103362 [0,1,0,1,0,0|0,0,2]=4 26917 B11R1.47 C=CCCCOCC1CCO1 7a_100000758997_100000103362 [0,1,0,1,0,0|0,0,2]=4 26918 B11R1.47 C=CCCCOCC1CNC1 34a_100016987283_100000757094 [0,1,0,1,0,0|0,0,2]=4 26919 B11R1.47 C=CCCCOCC1COC1 34a_100000060846_100000757094 [0,1,0,1,0,0|0,0,2]=4 26920 B11R1.47 C=CCCCOCC1COC1 34a_100000758997_100010264016 [0,1,0,1,0,0|0,0,2]=4 26921 B11R1.47 C=CCCCOCC1COC1 7a_100000758997_100010264016 [0,1,0,1,0,0|0,0,2]=4 26922 B11R1.47 C=CCCCSCC1CCC1 62a_100000763275_100000757094 [0,1,0,1,0,0|0,1,1]=4 26923 B11R1.47 C=CCCCSCC1CCC1 62a_100011713584_100000763275 [0,1,0,1,0,0|0,1,1]=4 26924 B11R1.47 C=CCCOCCC1COC1 34a_100009855314_100000754431 [0,1,0,1,0,0|0,0,2]=4 26925 B11R1.47 C=CCOCCOC1CCC1 34a_100000037705_100000749161 [0,1,0,1,0,0|0,0,2]=4 26926 B11R1.47 C=COCCOCC1CCC1 34a_100000033082_100000763275 [0,1,0,1,0,0|0,0,2]=4 26927 B11R1.47 C=COCCOCC1CCC1 34a_100000760304_100000039644 [0,1,0,1,0,0|0,0,2]=4 26928 B11R1.47 CC#CCCOCC1CCC1 34a_100000750427_100000763275 [0,1,0,1,0,0|0,0,1]=3 26929 B11R1.47 CC#CCCOCC1CCO1 34a_100000750427_100000103362 [0,1,0,1,0,0|0,0,2]=4 26930 B11R1.47 CC#CCCOCC1COC1 34a_100000750427_100010264016 [0,1,0,1,0,0|0,0,2]=4 26931 B11R1.47 CC#CCOCCC1COC1 34a_100009855314_100000748600 [0,1,0,1,0,0|0,0,2]=4 26932 B11R1.47 CC/C=C\CCNC1CCC1 2230a_100000749019_100015370543 [0,1,0,1,0,0|1,0,1]=4 26933 B11R1.47 CC/C=C\CCNC1CCC1 34a_100000749019_100015370543 [0,1,0,1,0,0|1,0,1]=4 26934 B11R1.47 CC/C=C\CCOC1CCC1 34a_100000748187_100015370543 [0,1,0,1,0,0|0,0,1]=3 26935 B11R1.47 CC/C=C\CCOC1CCC1 34a_100016288707_100000749161 [0,1,0,1,0,0|0,0,1]=3 26936 B11R1.47 CC/C=C\CCOC1COC1 34a_100016288707_100009818527 [0,1,0,1,0,0|1,0,1]=4 26937 B11R1.47 CC/C=C\CCOC1COC1 7a_100016288707_100009818527 [0,1,0,1,0,0|1,0,1]=4 26938 B11R1.47 CC/C=C\CCOC1CSC1 7a_100000072292_100015370543 [0,1,0,1,0,0|1,0,1]=4 26939 B11R1.47 CC/C=C\CCSC1CCC1 62a_100015370543_100000749161 [0,1,0,1,0,0|0,1,1]=4 26940 B11R1.47 CC/C=C\CNCC1CCC1 2230a_100000738700_100103147603 [0,1,0,1,0,0|1,0,1]=4 26941 B11R1.47 CC/C=C\CNCC1CCC1 34a_100000738700_100103147603 [0,1,0,1,0,0|1,0,1]=4 26942 B11R1.47 CC/C=C\COCC1CCC1 34a_100000760304_100103147603 [0,1,0,1,0,0|0,0,1]=3 26943 B11R1.47 CC/C=C\COCC1CCC1 34a_100016268518_100000763275 [0,1,0,1,0,0|0,0,1]=3 26944 B11R1.47 CC/C=C\COCC1CCO1 34a_100000039022_100103147603 [0,1,0,1,0,0|0,0,2]=4 26945 B11R1.47 CC/C=C\COCC1CCO1 34a_100016268518_100000103362 [0,1,0,1,0,0|0,0,2]=4 26946 B11R1.47 CC/C=C\COCC1CNC1 34a_100016987283_100103147603 [0,1,0,1,0,0|0,0,2]=4 26947 B11R1.47 CC/C=C\COCC1COC1 34a_100000060846_100103147603 [0,1,0,1,0,0|0,0,2]=4 26948 B11R1.47 CC/C=C\COCC1COC1 34a_100016268518_100010264016 [0,1,0,1,0,0|0,0,2]=4 26949 B11R1.47 CC/C=C\CSCC1CCC1 62a_100000763275_100103147603 [0,1,0,1,0,0|0,1,1]=4 26950 B11R1.47 CC/C=C\CSCC1CCC1 62a_100103147603_100000763275 [0,1,0,1,0,0|0,1,1]=4 26951 B11R1.47 CC=C=CCCOC1CCC1 34a_100011020354_100000749161 [0,1,0,1,0,0|0,0,2]=4 26952 B11R1.47 CC=CCCCOC1CCC1 34a_100020645299_100000749161 [0,1,0,1,0,0|0,0,1]=3 26953 B11R1.47 CC=CCCCOC1COC1 34a_100020645299_100009818527 [0,1,0,1,0,0|1,0,1]=4 26954 B11R1.47 CC=CCOCCC1COC1 34a_100009855314_100000070051 [0,1,0,1,0,0|0,0,2]=4 26955 B11R1.47 CCC#CCCOC1CCC1 34a_100000036655_100000749161 [0,1,0,1,0,0|0,0,1]=3 26956 B11R1.47 CCC#CCCOC1COC1 34a_100000036655_100009818527 [0,1,0,1,0,0|1,0,1]=4 26957 B11R1.47 CCC#CCCOC1COC1 7a_100000036655_100009818527 [0,1,0,1,0,0|1,0,1]=4 26958 B11R1.47 CCC#CCNCC1CCC1 2230a_100000738700_100009813939 [0,1,0,1,0,0|1,0,1]=4 26959 B11R1.47 CCC#CCNCC1CCC1 34a_100000738700_100009813939 [0,1,0,1,0,0|1,0,1]=4 26960 B11R1.47 CCC#CCOCC1CCC1 34a_100000032950_100000763275 [0,1,0,1,0,0|0,0,1]=3 26961 B11R1.47 CCC#CCOCC1CCC1 34a_100000760304_100009813939 [0,1,0,1,0,0|0,0,1]=3 26962 B11R1.47 CCC#CCOCC1CCO1 34a_100000032950_100000103362 [0,1,0,1,0,0|0,0,2]=4 26963 B11R1.47 CCC#CCOCC1CCO1 34a_100000039022_100009813939 [0,1,0,1,0,0|0,0,2]=4 26964 B11R1.47 CCC#CCOCC1CNC1 34a_100016987283_100009813939 [0,1,0,1,0,0|0,0,2]=4 26965 B11R1.47 CCC#CCOCC1COC1 34a_100000032950_100010264016 [0,1,0,1,0,0|0,0,2]=4 26966 B11R1.47 CCC#CCOCC1COC1 34a_100000060846_100009813939 [0,1,0,1,0,0|0,0,2]=4 26967 B11R1.47 CCC#CCSCC1CCC1 62a_100000763275_100009813939 [0,1,0,1,0,0|0,1,1]=4 26968 B11R1.47 CCC#CCSCC1CCC1 62a_100009813939_100000763275 [0,1,0,1,0,0|0,1,1]=4 26969 B11R1.47 CCC/C=C/COC1CCC1 34a_100016278788_100000749161 [0,1,0,1,0,0|0,0,1]=3 26970 B11R1.47 CCC/C=C/COC1COC1 34a_100016278788_100009818527 [0,1,0,1,0,0|1,0,1]=4 26971 B11R1.47 CCC/C=C/COC1COC1 7a_100016278788_100009818527 [0,1,0,1,0,0|1,0,1]=4 26972 B11R1.47 CCCC#CCOC1CCC1 34a_100000034806_100000749161 [0,1,0,1,0,0|0,0,1]=3 26973 B11R1.47 CCCC#CCOC1COC1 34a_100000034806_100009818527 [0,1,0,1,0,0|1,0,1]=4 26974 B11R1.47 CCCC#CCOC1COC1 7a_100000034806_100009818527 [0,1,0,1,0,0|1,0,1]=4 26975 B11R1.47 CCCC=NNCC1CCC1 4a_200020586977_100000185831 [0,1,0,1,0,0|1,0,1]=4 26976 B11R1.47 CCCCC=NNC1CCC1 4a_100000736358_100000210104 [0,1,0,1,0,0|1,0,1]=4 26977 B11R1.47 CCCCCCCN1CCC1 269982a_100000754969_100000210681 [0,1,0,1,0,0|1,0,0]=3 26978 B11R1.47 CCCCCCNC1CCC1 2230a_100000749019_100000210314 [0,1,0,1,0,0|1,0,0]=3 26979 B11R1.47 CCCCCCNC1CCC1 270004a_100000210581_100000241760 [0,1,0,1,0,0|1,0,0]=3 26980 B11R1.47 CCCCCCNC1CCC1 34a_100000749019_100000210314 [0,1,0,1,0,0|1,0,0]=3 26981 B11R1.47 CCCCCCNC1COC1 2230a_100016991112_100000210314 [0,1,0,1,0,0|2,0,0]=4 26982 B11R1.47 CCCCCCOC1CCC1 34a_100000210259_100000749161 [0,1,0,1,0,0|0,0,0]=2 26983 B11R1.47 CCCCCCOC1CCC1 34a_100000748187_100000210314 [0,1,0,1,0,0|0,0,0]=2 26984 B11R1.47 CCCCCCOC1COC1 34a_100000210259_100009818527 [0,1,0,1,0,0|1,0,0]=3 26985 B11R1.47 CCCCCCOC1COC1 7a_100000210259_100009818527 [0,1,0,1,0,0|1,0,0]=3 26986 B11R1.47 CCCCCCOC1CSC1 7a_100000072292_100000210314 [0,1,0,1,0,0|1,0,0]=3 26987 B11R1.47 CCCCCCSC1CCC1 62a_100000210314_100000749161 [0,1,0,1,0,0|0,1,0]=3 26988 B11R1.47 CCCCCCSC1COC1 62a_100000210314_100009818527 [0,1,0,1,0,0|1,1,0]=4 26989 B11R1.47 CCCCCNCC1CCC1 2230a_100000209983_100000763275 [0,1,0,1,0,0|1,0,0]=3 26990 B11R1.47 CCCCCNCC1CCC1 2230a_100000738700_100000210326 [0,1,0,1,0,0|1,0,0]=3 26991 B11R1.47 CCCCCNCC1CCC1 269862a_100000209983_100000753134 [0,1,0,1,0,0|1,0,0]=3 26992 B11R1.47 CCCCCNCC1CCC1 34a_100000738700_100000718602 [0,1,0,1,0,0|1,0,0]=3 26993 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [0,1,0,1,0,0|1,0,0]=3 26994 B11R1.47 CCCCCNCC1COC1 2230a_100000209983_100010264016 [0,1,0,1,0,0|1,0,0]=3 26995 B11R1.47 CCCCCNCC1COC1 2230a_100015281925_100000210326 [0,1,0,1,0,0|1,0,0]=3 26996 B11R1.47 CCCCCNCC1COC1 34a_100015281925_100000718602 [0,1,0,1,0,0|1,0,0]=3 26997 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [0,1,0,1,0,0|1,0,0]=3 26998 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [0,1,0,1,0,0|1,0,0]=3 26999 B11R1.47 CCCCCNN=C1CCC1 4a_100000694160_100000241760 [0,1,0,1,0,0|1,0,1]=4 27000 B11R1.47 CCCCCOCC1CCC1 34a_100000210253_100000763275 [0,1,0,1,0,0|0,0,0]=2 27001 B11R1.47 CCCCCOCC1CCC1 34a_100000760304_100000718602 [0,1,0,1,0,0|0,0,0]=2 27002 B11R1.47 CCCCCOCC1CCC1 7a_100000210253_100000763275 [0,1,0,1,0,0|0,0,0]=2 27003 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [0,1,0,1,0,0|0,0,0]=2 27004 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [0,1,0,1,0,0|0,0,0]=2 27005 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [0,1,0,1,0,0|0,0,0]=2 27006 B11R1.47 CCCCCOCC1CNC1 34a_100016987283_100000718602 [0,1,0,1,0,0|0,0,0]=2 27007 B11R1.47 CCCCCOCC1COC1 34a_100000060846_100000718602 [0,1,0,1,0,0|0,0,0]=2 27008 B11R1.47 CCCCCOCC1COC1 34a_100000210253_100010264016 [0,1,0,1,0,0|0,0,0]=2 27009 B11R1.47 CCCCCOCC1COC1 7a_100000210253_100010264016 [0,1,0,1,0,0|0,0,0]=2 27010 B11R1.47 CCCCCSCC1CCC1 62a_100000210326_100000763275 [0,1,0,1,0,0|0,1,0]=3 27011 B11R1.47 CCCCCSCC1CCC1 62a_100000763275_100000210326 [0,1,0,1,0,0|0,1,0]=3 27012 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [0,1,0,1,0,0|0,1,0]=3 27013 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [0,1,0,1,0,0|0,1,0]=3 27014 B11R1.47 CCCCCSCC1COC1 62a_100000210326_100010264016 [0,1,0,1,0,0|0,1,0]=3 27015 B11R1.47 CCCCCSCC1COC1 62a_100010264016_100000210326 [0,1,0,1,0,0|0,1,0]=3 27016 B11R1.47 CCCCNN=CC1CCC1 4a_100025702795_100000753134 [0,1,0,1,0,0|1,0,1]=4 27017 B11R1.47 CCCCOCCC1COC1 34a_100009855314_100000210210 [0,1,0,1,0,0|0,0,0]=2 27018 B11R1.47 CCCCOCCN1CCC1 269982a_100000754969_100000743108 [0,1,0,1,0,0|0,0,0]=2 27019 B11R1.47 CCCCOCNC1CCC1 2230a_100000749019_100011995733 [0,1,0,1,0,0|0,0,0]=2 27020 B11R1.47 CCCCOCNC1CCC1 34a_100000749019_100011995733 [0,1,0,1,0,0|0,0,0]=2 27021 B11R1.47 CCCCOCNC1COC1 2230a_100016991112_100011995733 [0,1,0,1,0,0|1,0,0]=3 27022 B11R1.47 CCCCOCOC1CCC1 34a_100000748187_100011995733 [0,1,0,1,0,0|0,0,0]=2 27023 B11R1.47 CCCCOCSC1CCC1 62a_100011995733_100000749161 [0,1,0,1,0,0|0,0,0]=2 27024 B11R1.47 CCCCOCSC1COC1 62a_100011995733_100009818527 [0,1,0,1,0,0|1,0,0]=3 27025 B11R1.47 CCCOCCNC1CCC1 2230a_100000749019_100011215938 [0,1,0,1,0,0|1,0,0]=3 27026 B11R1.47 CCCOCCNC1CCC1 270004a_100161115042_100000241760 [0,1,0,1,0,0|1,0,0]=3 27027 B11R1.47 CCCOCCNC1CCC1 34a_100000749019_100011215938 [0,1,0,1,0,0|1,0,0]=3 27028 B11R1.47 CCCOCCNC1CCC1 34a_100161115042_100000749161 [0,1,0,1,0,0|1,0,0]=3 27029 B11R1.47 CCCOCCNC1COC1 2230a_100016991112_100011215938 [0,1,0,1,0,0|2,0,0]=4 27030 B11R1.47 CCCOCCNC1COC1 34a_100161115042_100009818527 [0,1,0,1,0,0|2,0,0]=4 27031 B11R1.47 CCCOCCOC1CCC1 34a_100000748187_100011215938 [0,1,0,1,0,0|0,0,0]=2 27032 B11R1.47 CCCOCCOC1CCC1 34a_100000752267_100000749161 [0,1,0,1,0,0|0,0,0]=2 27033 B11R1.47 CCCOCCOC1COC1 34a_100000752267_100009818527 [0,1,0,1,0,0|1,0,0]=3 27034 B11R1.47 CCCOCCOC1COC1 7a_100000752267_100009818527 [0,1,0,1,0,0|1,0,0]=3 27035 B11R1.47 CCCOCCOC1CSC1 7a_100000072292_100011215938 [0,1,0,1,0,0|1,0,0]=3 27036 B11R1.47 CCCOCCSC1CCC1 62a_100011215938_100000749161 [0,1,0,1,0,0|0,1,0]=3 27037 B11R1.47 CCCOCCSC1COC1 62a_100011215938_100009818527 [0,1,0,1,0,0|1,1,0]=4 27038 B11R1.47 CCCSCCNC1CCC1 270004a_100020603323_100000241760 [0,1,0,1,0,0|1,0,0]=3 27039 B11R1.47 CCCSCCOC1CCC1 34a_200000230433_100000749161 [0,1,0,1,0,0|0,0,0]=2 27040 B11R1.47 CCCSCCOC1COC1 34a_200000230433_100009818527 [0,1,0,1,0,0|1,0,0]=3 27041 B11R1.47 CCCSCCOC1COC1 7a_200000230433_100009818527 [0,1,0,1,0,0|1,0,0]=3 27042 B11R1.47 CCOCCCNC1CCC1 2230a_100000749019_100012232248 [0,1,0,1,0,0|1,0,0]=3 27043 B11R1.47 CCOCCCNC1CCC1 270004a_100000210961_100000241760 [0,1,0,1,0,0|1,0,0]=3 27044 B11R1.47 CCOCCCNC1CCC1 34a_100000210961_100000749161 [0,1,0,1,0,0|1,0,0]=3 27045 B11R1.47 CCOCCCNC1CCC1 34a_100000749019_100012232248 [0,1,0,1,0,0|1,0,0]=3 27046 B11R1.47 CCOCCCNC1COC1 2230a_100016991112_100012232248 [0,1,0,1,0,0|2,0,0]=4 27047 B11R1.47 CCOCCCNC1COC1 34a_100000210961_100009818527 [0,1,0,1,0,0|2,0,0]=4 27048 B11R1.47 CCOCCCOC1CCC1 34a_100000748187_100012232248 [0,1,0,1,0,0|0,0,0]=2 27049 B11R1.47 CCOCCCOC1CCC1 34a_100000757476_100000749161 [0,1,0,1,0,0|0,0,0]=2 27050 B11R1.47 CCOCCCOC1COC1 34a_100000757476_100009818527 [0,1,0,1,0,0|1,0,0]=3 27051 B11R1.47 CCOCCCOC1COC1 7a_100000757476_100009818527 [0,1,0,1,0,0|1,0,0]=3 27052 B11R1.47 CCOCCCOC1CSC1 7a_100000072292_100012232248 [0,1,0,1,0,0|1,0,0]=3 27053 B11R1.47 CCOCCCSC1CCC1 62a_100012232248_100000749161 [0,1,0,1,0,0|0,1,0]=3 27054 B11R1.47 CCOCCCSC1COC1 62a_100012232248_100009818527 [0,1,0,1,0,0|1,1,0]=4 27055 B11R1.47 CCOCCNCC1CCC1 2230a_100000738700_100011215890 [0,1,0,1,0,0|1,0,0]=3 27056 B11R1.47 CCOCCNCC1CCC1 2230a_102516460346_100000763275 [0,1,0,1,0,0|1,0,0]=3 27057 B11R1.47 CCOCCNCC1CCC1 269862a_100011200944_100000753134 [0,1,0,1,0,0|1,0,0]=3 27058 B11R1.47 CCOCCNCC1CCC1 34a_100000738700_100000210147 [0,1,0,1,0,0|1,0,0]=3 27059 B11R1.47 CCOCCNCC1CCC1 34a_102516460346_100000763275 [0,1,0,1,0,0|1,0,0]=3 27060 B11R1.47 CCOCCNCC1CCO1 2230a_102516460346_100000103362 [0,1,0,1,0,0|2,0,0]=4 27061 B11R1.47 CCOCCNCC1CCO1 34a_102516460346_100000103362 [0,1,0,1,0,0|2,0,0]=4 27062 B11R1.47 CCOCCNCC1COC1 2230a_100015281925_100011215890 [0,1,0,1,0,0|2,0,0]=4 27063 B11R1.47 CCOCCNCC1COC1 2230a_102516460346_100010264016 [0,1,0,1,0,0|2,0,0]=4 27064 B11R1.47 CCOCCNCC1COC1 34a_100015281925_100000210147 [0,1,0,1,0,0|2,0,0]=4 27065 B11R1.47 CCOCCNCC1COC1 34a_102516460346_100010264016 [0,1,0,1,0,0|2,0,0]=4 27066 B11R1.47 CCOCCNC[C@@H]1CCO1 2230a_100020831831_100011215890 [0,1,0,1,0,0|2,0,0]=4 27067 B11R1.47 CCOCCNC[C@@H]1CCO1 34a_100020831831_100000210147 [0,1,0,1,0,0|2,0,0]=4 27068 B11R1.47 CCOCCOCC1CCC1 34a_100000210136_100000763275 [0,1,0,1,0,0|0,0,0]=2 27069 B11R1.47 CCOCCOCC1CCC1 34a_100000760304_100000210147 [0,1,0,1,0,0|0,0,0]=2 27070 B11R1.47 CCOCCOCC1CCC1 7a_100000210136_100000763275 [0,1,0,1,0,0|0,0,0]=2 27071 B11R1.47 CCOCCOCC1CCO1 34a_100000039022_100000210147 [0,1,0,1,0,0|1,0,0]=3 27072 B11R1.47 CCOCCOCC1CCO1 34a_100000210136_100000103362 [0,1,0,1,0,0|1,0,0]=3 27073 B11R1.47 CCOCCOCC1CCO1 7a_100000210136_100000103362 [0,1,0,1,0,0|1,0,0]=3 27074 B11R1.47 CCOCCOCC1CNC1 34a_100016987283_100000210147 [0,1,0,1,0,0|1,0,0]=3 27075 B11R1.47 CCOCCOCC1COC1 34a_100000060846_100000210147 [0,1,0,1,0,0|1,0,0]=3 27076 B11R1.47 CCOCCOCC1COC1 34a_100000210136_100010264016 [0,1,0,1,0,0|1,0,0]=3 27077 B11R1.47 CCOCCOCC1COC1 7a_100000210136_100010264016 [0,1,0,1,0,0|1,0,0]=3 27078 B11R1.47 CCOCCSCC1CCC1 62a_100000210147_100000763275 [0,1,0,1,0,0|0,1,0]=3 27079 B11R1.47 CCOCCSCC1CCC1 62a_100000763275_100011215890 [0,1,0,1,0,0|0,1,0]=3 27080 B11R1.47 CCOCCSCC1CCO1 62a_100000103362_100011215890 [0,1,0,1,0,0|1,1,0]=4 27081 B11R1.47 CCOCCSCC1CCO1 62a_100000210147_100000103362 [0,1,0,1,0,0|1,1,0]=4 27082 B11R1.47 CCOCCSCC1COC1 62a_100000210147_100010264016 [0,1,0,1,0,0|1,1,0]=4 27083 B11R1.47 CCOCCSCC1COC1 62a_100010264016_100011215890 [0,1,0,1,0,0|1,1,0]=4 27084 B11R1.47 CCSCCCOC1CCC1 34a_100011216438_100000749161 [0,1,0,1,0,0|0,0,0]=2 27085 B11R1.47 CCSCCCOC1COC1 34a_100011216438_100009818527 [0,1,0,1,0,0|1,0,0]=3 27086 B11R1.47 CCSCCCOC1COC1 7a_100011216438_100009818527 [0,1,0,1,0,0|1,0,0]=3 27087 B11R1.47 CCSCCNCC1CCC1 2230a_100000106463_100000763275 [0,1,0,1,0,0|1,0,0]=3 27088 B11R1.47 CCSCCNCC1CCC1 2230a_100000738700_100000757381 [0,1,0,1,0,0|1,0,0]=3 27089 B11R1.47 CCSCCNCC1CCC1 269862a_100000106463_100000753134 [0,1,0,1,0,0|1,0,0]=3 27090 B11R1.47 CCSCCNCC1CCC1 34a_100000738700_100000757381 [0,1,0,1,0,0|1,0,0]=3 27091 B11R1.47 CCSCCNCC1CCO1 2230a_100000106463_100000103362 [0,1,0,1,0,0|2,0,0]=4 27092 B11R1.47 CCSCCNCC1COC1 2230a_100000106463_100010264016 [0,1,0,1,0,0|2,0,0]=4 27093 B11R1.47 CCSCCNCC1COC1 2230a_100015281925_100000757381 [0,1,0,1,0,0|2,0,0]=4 27094 B11R1.47 CCSCCNCC1COC1 34a_100015281925_100000757381 [0,1,0,1,0,0|2,0,0]=4 27095 B11R1.47 CCSCCNC[C@@H]1CCO1 2230a_100020831831_100000757381 [0,1,0,1,0,0|2,0,0]=4 27096 B11R1.47 CCSCCNC[C@@H]1CCO1 34a_100020831831_100000757381 [0,1,0,1,0,0|2,0,0]=4 27097 B11R1.47 CCSCCOCC1CCC1 34a_100000212035_100000763275 [0,1,0,1,0,0|0,0,0]=2 27098 B11R1.47 CCSCCOCC1CCC1 34a_100000760304_100000757381 [0,1,0,1,0,0|0,0,0]=2 27099 B11R1.47 CCSCCOCC1CCC1 7a_100000212035_100000763275 [0,1,0,1,0,0|0,0,0]=2 27100 B11R1.47 CCSCCOCC1CCO1 34a_100000039022_100000757381 [0,1,0,1,0,0|1,0,0]=3 27101 B11R1.47 CCSCCOCC1CCO1 34a_100000212035_100000103362 [0,1,0,1,0,0|1,0,0]=3 27102 B11R1.47 CCSCCOCC1CCO1 7a_100000212035_100000103362 [0,1,0,1,0,0|1,0,0]=3 27103 B11R1.47 CCSCCOCC1CNC1 34a_100016987283_100000757381 [0,1,0,1,0,0|1,0,0]=3 27104 B11R1.47 CCSCCOCC1COC1 34a_100000060846_100000757381 [0,1,0,1,0,0|1,0,0]=3 27105 B11R1.47 CCSCCOCC1COC1 34a_100000212035_100010264016 [0,1,0,1,0,0|1,0,0]=3 27106 B11R1.47 CCSCCOCC1COC1 7a_100000212035_100010264016 [0,1,0,1,0,0|1,0,0]=3 27107 B11R1.47 CCSCCSCC1CCC1 62a_100000757381_100000763275 [0,1,0,1,0,0|0,1,0]=3 27108 B11R1.47 CCSCCSCC1CCC1 62a_100000763275_100000757381 [0,1,0,1,0,0|0,1,0]=3 27109 B11R1.47 CCSCCSCC1CCO1 62a_100000103362_100000757381 [0,1,0,1,0,0|1,1,0]=4 27110 B11R1.47 CCSCCSCC1CCO1 62a_100000757381_100000103362 [0,1,0,1,0,0|1,1,0]=4 27111 B11R1.47 CCSCCSCC1COC1 62a_100000757381_100010264016 [0,1,0,1,0,0|1,1,0]=4 27112 B11R1.47 CCSCCSCC1COC1 62a_100010264016_100000757381 [0,1,0,1,0,0|1,1,0]=4 27113 B11R1.47 CNCCCOCC1CCC1 34a_100000213112_100000763275 [0,1,0,1,0,0|0,0,0]=2 27114 B11R1.47 CNCCCOCC1CCO1 34a_100000213112_100000103362 [0,1,0,1,0,0|1,0,0]=3 27115 B11R1.47 CNCCCOCC1COC1 34a_100000213112_100010264016 [0,1,0,1,0,0|1,0,0]=3 27116 B11R1.47 COCCCCNC1CCC1 2230a_100000749019_100000730899 [0,1,0,1,0,0|1,0,0]=3 27117 B11R1.47 COCCCCNC1CCC1 34a_100000749019_100000755781 [0,1,0,1,0,0|1,0,0]=3 27118 B11R1.47 COCCCCNC1COC1 2230a_100016991112_100000730899 [0,1,0,1,0,0|2,0,0]=4 27119 B11R1.47 COCCCCOC1CCC1 34a_100000740925_100000749161 [0,1,0,1,0,0|0,0,0]=2 27120 B11R1.47 COCCCCOC1CCC1 34a_100000748187_100000755781 [0,1,0,1,0,0|0,0,0]=2 27121 B11R1.47 COCCCCOC1COC1 34a_100000740925_100009818527 [0,1,0,1,0,0|1,0,0]=3 27122 B11R1.47 COCCCCOC1CSC1 7a_100000072292_100000730899 [0,1,0,1,0,0|1,0,0]=3 27123 B11R1.47 COCCCCSC1CCC1 62a_100000730899_100000749161 [0,1,0,1,0,0|0,1,0]=3 27124 B11R1.47 COCCCCSC1COC1 62a_100000730899_100009818527 [0,1,0,1,0,0|1,1,0]=4 27125 B11R1.47 COCCCNCC1CCC1 2230a_100000738700_100000740836 [0,1,0,1,0,0|1,0,0]=3 27126 B11R1.47 COCCCNCC1CCC1 269862a_100150723488_100000753134 [0,1,0,1,0,0|1,0,0]=3 27127 B11R1.47 COCCCNCC1CCC1 34a_100000738700_100000740836 [0,1,0,1,0,0|1,0,0]=3 27128 B11R1.47 COCCCNCC1CCC1 34a_100150723488_100000763275 [0,1,0,1,0,0|1,0,0]=3 27129 B11R1.47 COCCCNCC1CCO1 34a_100150723488_100000103362 [0,1,0,1,0,0|2,0,0]=4 27130 B11R1.47 COCCCNCC1COC1 2230a_100015281925_100000740836 [0,1,0,1,0,0|2,0,0]=4 27131 B11R1.47 COCCCNCC1COC1 34a_100015281925_100000740836 [0,1,0,1,0,0|2,0,0]=4 27132 B11R1.47 COCCCNCC1COC1 34a_100150723488_100010264016 [0,1,0,1,0,0|2,0,0]=4 27133 B11R1.47 COCCCNC[C@@H]1CCO1 2230a_100020831831_100000740836 [0,1,0,1,0,0|2,0,0]=4 27134 B11R1.47 COCCCNC[C@@H]1CCO1 34a_100020831831_100000740836 [0,1,0,1,0,0|2,0,0]=4 27135 B11R1.47 COCCCOCC1CCC1 34a_100000740835_100000763275 [0,1,0,1,0,0|0,0,0]=2 27136 B11R1.47 COCCCOCC1CCC1 34a_100000760304_100000740836 [0,1,0,1,0,0|0,0,0]=2 27137 B11R1.47 COCCCOCC1CCO1 34a_100000039022_100000740836 [0,1,0,1,0,0|1,0,0]=3 27138 B11R1.47 COCCCOCC1CCO1 34a_100000740835_100000103362 [0,1,0,1,0,0|1,0,0]=3 27139 B11R1.47 COCCCOCC1CNC1 34a_100016987283_100000740836 [0,1,0,1,0,0|1,0,0]=3 27140 B11R1.47 COCCCOCC1COC1 34a_100000060846_100000740836 [0,1,0,1,0,0|1,0,0]=3 27141 B11R1.47 COCCCOCC1COC1 34a_100000740835_100010264016 [0,1,0,1,0,0|1,0,0]=3 27142 B11R1.47 COCCCSCC1CCC1 62a_100000709357_100000763275 [0,1,0,1,0,0|0,1,0]=3 27143 B11R1.47 COCCCSCC1CCC1 62a_100000763275_100000709357 [0,1,0,1,0,0|0,1,0]=3 27144 B11R1.47 COCCCSCC1CCO1 62a_100000103362_100000709357 [0,1,0,1,0,0|1,1,0]=4 27145 B11R1.47 COCCCSCC1CCO1 62a_100000709357_100000103362 [0,1,0,1,0,0|1,1,0]=4 27146 B11R1.47 COCCCSCC1COC1 62a_100000709357_100010264016 [0,1,0,1,0,0|1,1,0]=4 27147 B11R1.47 COCCCSCC1COC1 62a_100010264016_100000709357 [0,1,0,1,0,0|1,1,0]=4 27148 B11R1.47 COCCOCCC1COC1 34a_100009855314_100011201679 [0,1,0,1,0,0|1,0,0]=3 27149 B11R1.47 COCCOCCN1CCC1 269982a_100000754969_100000695917 [0,1,0,1,0,0|1,0,0]=3 27150 B11R1.47 COCCOCNC1CCC1 2230a_100000749019_100000231047 [0,1,0,1,0,0|1,0,0]=3 27151 B11R1.47 COCCOCNC1COC1 2230a_100016991112_100000231047 [0,1,0,1,0,0|2,0,0]=4 27152 B11R1.47 COCCOCSC1CCC1 62a_100000231047_100000749161 [0,1,0,1,0,0|1,0,0]=3 27153 B11R1.47 COCCOCSC1COC1 62a_100000231047_100009818527 [0,1,0,1,0,0|2,0,0]=4 27154 B11R1.47 CSCCCCOC1CCC1 34a_100011217163_100000749161 [0,1,0,1,0,0|0,0,0]=2 27155 B11R1.47 CSCCCCOC1COC1 34a_100011217163_100009818527 [0,1,0,1,0,0|1,0,0]=3 27156 B11R1.47 CSCCCCOC1COC1 7a_100011217163_100009818527 [0,1,0,1,0,0|1,0,0]=3 27157 B11R1.47 CSCCCNCC1CCC1 2230a_100000749238_100000763275 [0,1,0,1,0,0|1,0,0]=3 27158 B11R1.47 CSCCCNCC1CCC1 269862a_100000749238_100000753134 [0,1,0,1,0,0|1,0,0]=3 27159 B11R1.47 CSCCCNCC1CCO1 2230a_100000749238_100000103362 [0,1,0,1,0,0|2,0,0]=4 27160 B11R1.47 CSCCCNCC1COC1 2230a_100000749238_100010264016 [0,1,0,1,0,0|2,0,0]=4 27161 B11R1.47 CSCCCOCC1CCC1 34a_100000690336_100000763275 [0,1,0,1,0,0|0,0,0]=2 27162 B11R1.47 CSCCCOCC1CCC1 7a_100000690336_100000763275 [0,1,0,1,0,0|0,0,0]=2 27163 B11R1.47 CSCCCOCC1CCO1 34a_100000690336_100000103362 [0,1,0,1,0,0|1,0,0]=3 27164 B11R1.47 CSCCCOCC1CCO1 7a_100000690336_100000103362 [0,1,0,1,0,0|1,0,0]=3 27165 B11R1.47 CSCCCOCC1COC1 34a_100000690336_100010264016 [0,1,0,1,0,0|1,0,0]=3 27166 B11R1.47 CSCCCOCC1COC1 7a_100000690336_100010264016 [0,1,0,1,0,0|1,0,0]=3 27167 B11R1.47 CSCCOCCC1COC1 34a_100009855314_100000212216 [0,1,0,1,0,0|1,0,0]=3 27168 B11R1.47 ClCC#CCOCC1CCC1 34a_200000047223_100000763275 [0,1,0,1,0,0|0,0,2]=4 27169 B11R1.47 ClCCCCCOC1CCC1 34a_100000746330_100000749161 [0,1,0,1,0,0|0,0,0]=2 27170 B11R1.47 ClCCCCCOC1COC1 34a_100000746330_100009818527 [0,1,0,1,0,0|1,0,0]=3 27171 B11R1.47 ClCCCCCOC1COC1 7a_100000746330_100009818527 [0,1,0,1,0,0|1,0,0]=3 27172 B11R1.47 ClCCCCOCC1CCC1 34a_100000210776_100000763275 [0,1,0,1,0,0|0,0,0]=2 27173 B11R1.47 ClCCCCOCC1CCC1 7a_100000210776_100000763275 [0,1,0,1,0,0|0,0,0]=2 27174 B11R1.47 ClCCCCOCC1CCO1 34a_100000210776_100000103362 [0,1,0,1,0,0|1,0,0]=3 27175 B11R1.47 ClCCCCOCC1CCO1 7a_100000210776_100000103362 [0,1,0,1,0,0|1,0,0]=3 27176 B11R1.47 ClCCCCOCC1COC1 34a_100000210776_100010264016 [0,1,0,1,0,0|1,0,0]=3 27177 B11R1.47 ClCCCCOCC1COC1 7a_100000210776_100010264016 [0,1,0,1,0,0|1,0,0]=3 27178 B11R1.47 ClCCOCCOC1CCC1 34a_100011215305_100000749161 [0,1,0,1,0,0|1,0,0]=3 27179 B11R1.47 ClCCOCCOC1COC1 34a_100011215305_100009818527 [0,1,0,1,0,0|2,0,0]=4 27180 B11R1.47 ClCCOCCOC1COC1 7a_100011215305_100009818527 [0,1,0,1,0,0|2,0,0]=4 27181 B11R1.47 FCCCCCCN1CCC1 269982a_100000754969_100015922095 [0,1,0,1,0,0|2,0,0]=4 27182 B11R1.47 FCCCCCNC1CCC1 2230a_100000749019_100000729378 [0,1,0,1,0,0|1,0,0]=3 27183 B11R1.47 FCCCCCNC1CCC1 34a_100000749019_100000729378 [0,1,0,1,0,0|1,0,0]=3 27184 B11R1.47 FCCCCCNC1COC1 2230a_100016991112_100000729378 [0,1,0,1,0,0|2,0,0]=4 27185 B11R1.47 FCCCCCOC1CCC1 34a_100000748187_100000729378 [0,1,0,1,0,0|0,0,0]=2 27186 B11R1.47 FCCCCCOC1CSC1 7a_100000072292_100000729378 [0,1,0,1,0,0|1,0,0]=3 27187 B11R1.47 FCCCCCSC1CCC1 62a_100000729378_100000749161 [0,1,0,1,0,0|0,1,0]=3 27188 B11R1.47 FCCCCCSC1COC1 62a_100000729378_100009818527 [0,1,0,1,0,0|1,1,0]=4 27189 B11R1.47 FCCCCNCC1CCC1 2230a_100000738700_100000729493 [0,1,0,1,0,0|1,0,0]=3 27190 B11R1.47 FCCCCNCC1CCC1 34a_100000738700_100000729493 [0,1,0,1,0,0|1,0,0]=3 27191 B11R1.47 FCCCCNCC1COC1 2230a_100015281925_100000729493 [0,1,0,1,0,0|2,0,0]=4 27192 B11R1.47 FCCCCNCC1COC1 34a_100015281925_100000729493 [0,1,0,1,0,0|2,0,0]=4 27193 B11R1.47 FCCCCNC[C@@H]1CCO1 2230a_100020831831_100000729493 [0,1,0,1,0,0|2,0,0]=4 27194 B11R1.47 FCCCCNC[C@@H]1CCO1 34a_100020831831_100000729493 [0,1,0,1,0,0|2,0,0]=4 27195 B11R1.47 FCCCCOCC1CCC1 34a_100000760304_100000729493 [0,1,0,1,0,0|0,0,0]=2 27196 B11R1.47 FCCCCOCC1CCC1 34a_100011995726_100000763275 [0,1,0,1,0,0|0,0,0]=2 27197 B11R1.47 FCCCCOCC1CCC1 7a_100011995726_100000763275 [0,1,0,1,0,0|0,0,0]=2 27198 B11R1.47 FCCCCOCC1CCO1 34a_100000039022_100000729493 [0,1,0,1,0,0|1,0,0]=3 27199 B11R1.47 FCCCCOCC1CCO1 34a_100011995726_100000103362 [0,1,0,1,0,0|1,0,0]=3 27200 B11R1.47 FCCCCOCC1CCO1 7a_100011995726_100000103362 [0,1,0,1,0,0|1,0,0]=3 27201 B11R1.47 FCCCCOCC1CNC1 34a_100016987283_100000729493 [0,1,0,1,0,0|1,0,0]=3 27202 B11R1.47 FCCCCOCC1COC1 34a_100000060846_100000729493 [0,1,0,1,0,0|1,0,0]=3 27203 B11R1.47 FCCCCOCC1COC1 34a_100011995726_100010264016 [0,1,0,1,0,0|1,0,0]=3 27204 B11R1.47 FCCCCOCC1COC1 7a_100011995726_100010264016 [0,1,0,1,0,0|1,0,0]=3 27205 B11R1.47 FCCCCSCC1CCC1 62a_100000729493_100000763275 [0,1,0,1,0,0|0,1,0]=3 27206 B11R1.47 FCCCCSCC1CCC1 62a_100000763275_100000729493 [0,1,0,1,0,0|0,1,0]=3 27207 B11R1.47 FCCCCSCC1CCO1 62a_100000103362_100000729493 [0,1,0,1,0,0|1,1,0]=4 27208 B11R1.47 FCCCCSCC1CCO1 62a_100000729493_100000103362 [0,1,0,1,0,0|1,1,0]=4 27209 B11R1.47 FCCCCSCC1COC1 62a_100000729493_100010264016 [0,1,0,1,0,0|1,1,0]=4 27210 B11R1.47 FCCCCSCC1COC1 62a_100010264016_100000729493 [0,1,0,1,0,0|1,1,0]=4 27211 B11R1.47 FCCCOCCC1COC1 34a_100009855314_100011934791 [0,1,0,1,0,0|1,0,0]=3 27212 B11R1.47 FCCOCCOC1CCC1 34a_200015357709_100000749161 [0,1,0,1,0,0|1,0,0]=3 27213 B11R1.47 FCCOCCOC1COC1 34a_200015357709_100009818527 [0,1,0,1,0,0|2,0,0]=4 27214 B11R1.47 FCCOCCOC1COC1 7a_200015357709_100009818527 [0,1,0,1,0,0|2,0,0]=4 27215 B11R1.47 ICCCCCOC1CCC1 34a_200012148887_100000749161 [0,1,0,1,0,0|0,0,0]=2 27216 B11R1.47 ICCCCCOC1COC1 34a_200012148887_100009818527 [0,1,0,1,0,0|1,0,0]=3 27217 B11R1.47 ICCCCCOC1COC1 7a_200012148887_100009818527 [0,1,0,1,0,0|1,0,0]=3 27218 B11R1.47 ICCCCOCC1CCC1 34a_200012148704_100000763275 [0,1,0,1,0,0|0,0,0]=2 27219 B11R1.47 ICCCCOCC1CCO1 34a_200012148704_100000103362 [0,1,0,1,0,0|1,0,0]=3 27220 B11R1.47 ICCCCOCC1COC1 34a_200012148704_100010264016 [0,1,0,1,0,0|1,0,0]=3 27221 B11R1.47 ICCOCCOC1CCC1 34a_100012149058_100000749161 [0,1,0,1,0,0|1,0,0]=3 27222 B11R1.47 ICCOCCOC1COC1 34a_100012149058_100009818527 [0,1,0,1,0,0|2,0,0]=4 27223 B11R1.47 ICCOCCOC1COC1 7a_100012149058_100009818527 [0,1,0,1,0,0|2,0,0]=4 27224 B11R1.47 N#CCCCCNC1CCC1 2230a_100000749019_100000211819 [0,1,0,1,0,0|1,0,1]=4 27225 B11R1.47 N#CCCCCNC1CCC1 270004a_100000751965_100000241760 [0,1,0,1,0,0|1,0,1]=4 27226 B11R1.47 N#CCCCCOC1CSC1 7a_100000072292_100000211819 [0,1,0,1,0,0|1,0,1]=4 27227 B11R1.47 N#CCCCCSC1CCC1 62a_100011219923_100000749161 [0,1,0,1,0,0|0,1,1]=4 27228 B11R1.47 N#CCCCNCC1CCC1 2230a_100000738700_100000687738 [0,1,0,1,0,0|1,0,1]=4 27229 B11R1.47 N#CCCCSCC1CCC1 62a_100000687738_100000763275 [0,1,0,1,0,0|0,1,1]=4 27230 B11R1.47 N#CCCCSCC1CCC1 62a_100000763275_100000687738 [0,1,0,1,0,0|0,1,1]=4 27231 B11R1.47 NCCCCCOC1CCC1 34a_100000762737_100000749161 [0,1,0,1,0,0|0,0,0]=2 27232 B11R1.47 NCCCCCOC1COC1 34a_100000762737_100009818527 [0,1,0,1,0,0|1,0,0]=3 27233 B11R1.47 NCCCCOCC1CCC1 34a_100000750430_100000763275 [0,1,0,1,0,0|0,0,0]=2 27234 B11R1.47 NCCCCOCC1CCO1 34a_100000750430_100000103362 [0,1,0,1,0,0|1,0,0]=3 27235 B11R1.47 NCCCCOCC1COC1 34a_100000750430_100010264016 [0,1,0,1,0,0|1,0,0]=3 27236 B11R1.47 NCCOCCOC1CCC1 34a_100000211614_100000749161 [0,1,0,1,0,0|1,0,0]=3 27237 B11R1.47 NCCOCCOC1COC1 34a_100000211614_100009818527 [0,1,0,1,0,0|2,0,0]=4 27238 B11R1.47 O=CCCCCNC1CCC1 2230a_100000749019_100000139335 [0,1,0,1,0,0|1,0,1]=4 27239 B11R1.47 O=CCCCCOC1CSC1 7a_100000072292_100000139335 [0,1,0,1,0,0|1,0,1]=4 27240 B11R1.47 O=CCCCCSC1CCC1 62a_100000139335_100000749161 [0,1,0,1,0,0|0,1,1]=4 27241 B11R1.47 O=CCCCNCC1CCC1 2230a_100000738700_200011292268 [0,1,0,1,0,0|1,0,1]=4 27242 B11R1.47 O=CCCCSCC1CCC1 62a_100000763275_200011292268 [0,1,0,1,0,0|0,1,1]=4 27243 B11R1.47 O=CCCCSCC1CCC1 62a_200011292268_100000763275 [0,1,0,1,0,0|0,1,1]=4 27244 B11R1.47 OCC#CCOCC1CCC1 34a_100000760304_200000047223 [0,1,0,1,0,0|0,0,2]=4 27245 B11R1.47 OCCCCCCN1CCC1 269982a_100000754969_100000766143 [0,1,0,1,0,0|2,0,0]=4 27246 B11R1.47 OCCCCCNC1CCC1 2230a_100000749019_100000746330 [0,1,0,1,0,0|1,0,0]=3 27247 B11R1.47 OCCCCCNC1CCC1 270004a_100000762737_100000241760 [0,1,0,1,0,0|1,0,0]=3 27248 B11R1.47 OCCCCCNC1CCC1 34a_100000749019_100000746330 [0,1,0,1,0,0|1,0,0]=3 27249 B11R1.47 OCCCCCNC1CCC1 34a_100000762737_100000749161 [0,1,0,1,0,0|1,0,0]=3 27250 B11R1.47 OCCCCCNC1COC1 2230a_100016991112_100000746330 [0,1,0,1,0,0|2,0,0]=4 27251 B11R1.47 OCCCCCNC1COC1 34a_100000762737_100009818527 [0,1,0,1,0,0|2,0,0]=4 27252 B11R1.47 OCCCCCOC1CCC1 34a_100000748187_100000746330 [0,1,0,1,0,0|0,0,0]=2 27253 B11R1.47 OCCCCCOC1CSC1 7a_100000072292_100000746330 [0,1,0,1,0,0|1,0,0]=3 27254 B11R1.47 OCCCCCSC1CCC1 62a_100000746330_100000749161 [0,1,0,1,0,0|0,1,0]=3 27255 B11R1.47 OCCCCCSC1COC1 62a_100000746330_100009818527 [0,1,0,1,0,0|1,1,0]=4 27256 B11R1.47 OCCCCNCC1CCC1 2230a_100000738700_100000210776 [0,1,0,1,0,0|1,0,0]=3 27257 B11R1.47 OCCCCNCC1CCC1 2230a_100000750430_100000763275 [0,1,0,1,0,0|1,0,0]=3 27258 B11R1.47 OCCCCNCC1CCC1 269862a_100000750430_100000753134 [0,1,0,1,0,0|1,0,0]=3 27259 B11R1.47 OCCCCNCC1CCC1 34a_100000738700_100011216708 [0,1,0,1,0,0|1,0,0]=3 27260 B11R1.47 OCCCCNCC1CCC1 34a_100000750430_100000763275 [0,1,0,1,0,0|1,0,0]=3 27261 B11R1.47 OCCCCNCC1CCO1 2230a_100000750430_100000103362 [0,1,0,1,0,0|2,0,0]=4 27262 B11R1.47 OCCCCNCC1CCO1 34a_100000750430_100000103362 [0,1,0,1,0,0|2,0,0]=4 27263 B11R1.47 OCCCCNCC1COC1 2230a_100000750430_100010264016 [0,1,0,1,0,0|2,0,0]=4 27264 B11R1.47 OCCCCNCC1COC1 2230a_100015281925_100000210776 [0,1,0,1,0,0|2,0,0]=4 27265 B11R1.47 OCCCCNCC1COC1 34a_100000750430_100010264016 [0,1,0,1,0,0|2,0,0]=4 27266 B11R1.47 OCCCCNCC1COC1 34a_100015281925_100011216708 [0,1,0,1,0,0|2,0,0]=4 27267 B11R1.47 OCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210776 [0,1,0,1,0,0|2,0,0]=4 27268 B11R1.47 OCCCCNC[C@@H]1CCO1 34a_100020831831_100011216708 [0,1,0,1,0,0|2,0,0]=4 27269 B11R1.47 OCCCCOCC1CCC1 34a_100000760304_100011216708 [0,1,0,1,0,0|0,0,0]=2 27270 B11R1.47 OCCCCOCC1CCO1 34a_100000039022_100011216708 [0,1,0,1,0,0|1,0,0]=3 27271 B11R1.47 OCCCCOCC1CNC1 34a_100016987283_100011216708 [0,1,0,1,0,0|1,0,0]=3 27272 B11R1.47 OCCCCOCC1COC1 34a_100000060846_100011216708 [0,1,0,1,0,0|1,0,0]=3 27273 B11R1.47 OCCCCSCC1CCC1 62a_100000210776_100000763275 [0,1,0,1,0,0|0,1,0]=3 27274 B11R1.47 OCCCCSCC1CCC1 62a_100000763275_100000210776 [0,1,0,1,0,0|0,1,0]=3 27275 B11R1.47 OCCCCSCC1CCO1 62a_100000103362_100000210776 [0,1,0,1,0,0|1,1,0]=4 27276 B11R1.47 OCCCCSCC1CCO1 62a_100000210776_100000103362 [0,1,0,1,0,0|1,1,0]=4 27277 B11R1.47 OCCCCSCC1COC1 62a_100000210776_100010264016 [0,1,0,1,0,0|1,1,0]=4 27278 B11R1.47 OCCCCSCC1COC1 62a_100010264016_100000210776 [0,1,0,1,0,0|1,1,0]=4 27279 B11R1.47 OCCCOCCC1COC1 34a_100009855314_100000230001 [0,1,0,1,0,0|1,0,0]=3 27280 B11R1.47 OCCOCCNC1CCC1 2230a_100000749019_100011215305 [0,1,0,1,0,0|2,0,0]=4 27281 B11R1.47 OCCOCCNC1CCC1 270004a_100000211614_100000241760 [0,1,0,1,0,0|2,0,0]=4 27282 B11R1.47 OCCOCCNC1CCC1 34a_100000211614_100000749161 [0,1,0,1,0,0|2,0,0]=4 27283 B11R1.47 OCCOCCNC1CCC1 34a_100000749019_100000692535 [0,1,0,1,0,0|2,0,0]=4 27284 B11R1.47 OCCOCCOC1CCC1 34a_100000748187_100000692535 [0,1,0,1,0,0|1,0,0]=3 27285 B11R1.47 OCCOCCOC1CSC1 7a_100000072292_100011215305 [0,1,0,1,0,0|2,0,0]=4 27286 B11R1.47 OCCOCCSC1CCC1 62a_100011215305_100000749161 [0,1,0,1,0,0|1,1,0]=4 27287 B11R1.47 OCCSCCNC1CCC1 270004a_100011219999_100000241760 [0,1,0,1,0,0|2,0,0]=4 27288 B11R1.109 CCCC1CCCC1NCC 269862a_100015525214_100000723119 [0,1,0,1,0,0|1,0,0]=3 27289 B11R1.109 CCCC1CCCC1NCC 270004a_100015525214_100000723119 [0,1,0,1,0,0|1,0,0]=3 27290 B11R1.109 CCCN1CCCC1COC 34a_200000694710_200000210301 [0,1,0,1,0,0|2,0,0]=4 27291 B11R1.109 CCCN1CCCC1COC 7a_200000694710_200000210301 [0,1,0,1,0,0|2,0,0]=4 27292 B11R1.109 CCCN1CCCC1CO[13CH3] 34a_200000694710_200025704644 [0,1,0,1,0,0|2,0,0]=4 27293 B11R1.109 CCCN1CCCC1CO[13CH3] 7a_200000694710_200025704644 [0,1,0,1,0,0|2,0,0]=4 27294 B11R1.109 CCCN1CCC[C@H]1COC 2230a_100020646714_100000210303 [0,1,0,1,0,0|2,0,0]=4 27295 B11R1.109 CCCN1CCC[C@H]1COC 269982a_100020646714_100000210303 [0,1,0,1,0,0|2,0,0]=4 27296 B11R1.109 CCCN1CCC[C@H]1COC 34a_100020646714_100000210303 [0,1,0,1,0,0|2,0,0]=4 27297 B11R1.190 C#CCCCCN1CCC1C 269982a_100000755817_100010269958 [0,1,0,1,0,0|1,0,1]=4 27298 B11R1.190 C#CCCCCN1CCC1C 34a_100000755817_100010269958 [0,1,0,1,0,0|1,0,1]=4 27299 B11R1.190 C=CCCCCN1CCC1C 269982a_100000755817_100011215482 [0,1,0,1,0,0|1,0,1]=4 27300 B11R1.190 C=CCCCCN1CCC1C 34a_100000755817_100011215482 [0,1,0,1,0,0|1,0,1]=4 27301 B11R1.190 CC/C=C\CCN1CCC1C 269982a_100000755817_100015370543 [0,1,0,1,0,0|1,0,1]=4 27302 B11R1.190 CC/C=C\CCN1CCC1C 34a_100000755817_100015370543 [0,1,0,1,0,0|1,0,1]=4 27303 B11R1.190 CC1CCN1CCCCC#N 269982a_100000755817_100011219923 [0,1,0,1,0,0|1,0,1]=4 27304 B11R1.190 CC1CCN1CCCCC=O 269982a_100000755817_100000139335 [0,1,0,1,0,0|1,0,1]=4 27305 B11R1.190 CC1CCN1CCCCCF 269982a_100000755817_100000729378 [0,1,0,1,0,0|1,0,0]=3 27306 B11R1.190 CC1CCN1CCCCCF 34a_100000755817_100000729378 [0,1,0,1,0,0|1,0,0]=3 27307 B11R1.190 CC1CCN1CCCCCO 269982a_100000755817_100000746330 [0,1,0,1,0,0|1,0,0]=3 27308 B11R1.190 CC1CCN1CCCCCO 34a_100000755817_100000746330 [0,1,0,1,0,0|1,0,0]=3 27309 B11R1.190 CC1CCN1CCOCCO 269982a_100000755817_100011215305 [0,1,0,1,0,0|2,0,0]=4 27310 B11R1.190 CC1CCN1CCOCCO 34a_100000755817_100000692535 [0,1,0,1,0,0|2,0,0]=4 27311 B11R1.190 CCCCCCN1CCC1C 269982a_100000755817_100000210757 [0,1,0,1,0,0|1,0,0]=3 27312 B11R1.190 CCCCCCN1CCC1C 34a_100000755817_100000210314 [0,1,0,1,0,0|1,0,0]=3 27313 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [0,1,0,1,0,0|0,0,1]=3 27314 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [0,1,0,1,0,0|0,0,1]=3 27315 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [0,1,0,1,0,0|0,1,1]=4 27316 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [0,1,0,1,0,0|0,1,1]=4 27317 B11R1.190 CCCCOCN1CCC1C 269982a_100000755817_100011995733 [0,1,0,1,0,0|0,0,0]=2 27318 B11R1.190 CCCCOCN1CCC1C 34a_100000755817_100011995733 [0,1,0,1,0,0|0,0,0]=2 27319 B11R1.190 CCCOCCN1CCC1C 269982a_100000755817_100011215938 [0,1,0,1,0,0|1,0,0]=3 27320 B11R1.190 CCCOCCN1CCC1C 34a_100000755817_100011215938 [0,1,0,1,0,0|1,0,0]=3 27321 B11R1.190 CCOCCCN1CCC1C 269982a_100000755817_100012232248 [0,1,0,1,0,0|1,0,0]=3 27322 B11R1.190 CCOCCCN1CCC1C 34a_100000755817_100012232248 [0,1,0,1,0,0|1,0,0]=3 27323 B11R1.190 CCOCCOC1CCC1=O 34a_100000210136_100009892977 [0,1,0,1,0,0|1,0,1]=4 27324 B11R1.190 CCOCCOC1CCC1=O 7a_100000210136_100009892977 [0,1,0,1,0,0|1,0,1]=4 27325 B11R1.190 CCSCCOC1CCC1=O 34a_100000212035_100009892977 [0,1,0,1,0,0|1,0,1]=4 27326 B11R1.190 CCSCCOC1CCC1=O 7a_100000212035_100009892977 [0,1,0,1,0,0|1,0,1]=4 27327 B11R1.190 CNCCCOC1CCC1=O 34a_100000213112_100009892977 [0,1,0,1,0,0|1,0,1]=4 27328 B11R1.190 COCCCCN1CCC1C 269982a_100000755817_100000730899 [0,1,0,1,0,0|1,0,0]=3 27329 B11R1.190 COCCCCN1CCC1C 34a_100000755817_100000755781 [0,1,0,1,0,0|1,0,0]=3 27330 B11R1.190 COCCCOC1CCC1=O 34a_100000740835_100009892977 [0,1,0,1,0,0|1,0,1]=4 27331 B11R1.190 COCCOCN1CCC1C 269982a_100000755817_100000231047 [0,1,0,1,0,0|1,0,0]=3 27332 B11R1.190 CSCCCOC1CCC1=O 34a_100000690336_100009892977 [0,1,0,1,0,0|1,0,1]=4 27333 B11R1.190 CSCCCOC1CCC1=O 7a_100000690336_100009892977 [0,1,0,1,0,0|1,0,1]=4 27334 B11R1.190 NCCCCOC1CCC1=O 34a_100000750430_100009892977 [0,1,0,1,0,0|1,0,1]=4 27335 B11R1.190 O=C1CCC1OCCCCBr 34a_100011216708_100009892977 [0,1,0,1,0,0|1,0,1]=4 27336 B11R1.190 O=C1CCC1OCCCCCl 34a_100000210776_100009892977 [0,1,0,1,0,0|1,0,1]=4 27337 B11R1.190 O=C1CCC1OCCCCCl 7a_100000210776_100009892977 [0,1,0,1,0,0|1,0,1]=4 27338 B11R1.190 O=C1CCC1OCCCCF 34a_100011995726_100009892977 [0,1,0,1,0,0|1,0,1]=4 27339 B11R1.190 O=C1CCC1OCCCCF 7a_100011995726_100009892977 [0,1,0,1,0,0|1,0,1]=4 27340 B11R1.190 O=C1CCC1OCCCCI 34a_200012148704_100009892977 [0,1,0,1,0,0|1,0,1]=4 27341 B11R1.203 BrCCOC1CCCCCC1 34a_100000211926_100011217769 [0,1,0,1,0,0|2,0,0]=4 27342 B11R1.203 CCCCN1CCCCCC1 2230a_100000185865_100000210211 [0,1,0,1,0,0|1,0,0]=3 27343 B11R1.203 CCCCN1CCCCCC1 269982a_100000185865_100000210211 [0,1,0,1,0,0|1,0,0]=3 27344 B11R1.203 CCCCN1CCCCCC1 34a_100000185865_100000210210 [0,1,0,1,0,0|1,0,0]=3 27345 B11R1.203 CCCCN1CCCOCC1 2230a_100000685342_100000210211 [0,1,0,1,0,0|1,0,0]=3 27346 B11R1.203 CCCCN1CCCOCC1 269982a_100000685342_100000210211 [0,1,0,1,0,0|1,0,0]=3 27347 B11R1.203 CCCCN1CCCOCC1 34a_100000685342_100000210210 [0,1,0,1,0,0|1,0,0]=3 27348 B11R1.203 CCCNC1CCCCCC1 2230a_100000210984_100000210303 [0,1,0,1,0,0|1,0,0]=3 27349 B11R1.203 CCCNC1CCCCCC1 270004a_100020643023_100000210131 [0,1,0,1,0,0|1,0,0]=3 27350 B11R1.203 CCCNC1CCCCCC1 34a_100000210984_100000210303 [0,1,0,1,0,0|1,0,0]=3 27351 B11R1.203 CCCNC1CCCNCC1 270004a_100020643023_100015187895 [0,1,0,1,0,0|2,0,0]=4 27352 B11R1.203 CCCNC1CSCCSC1 270004a_100020643023_100000068409 [0,1,0,1,0,0|1,1,0]=4 27353 B11R1.203 CCCOC1CCCCCC1 34a_100000210258_100011217769 [0,1,0,1,0,0|1,0,0]=3 27354 B11R1.203 CCCOC1CCCCCC1 34a_100000210887_100000210303 [0,1,0,1,0,0|1,0,0]=3 27355 B11R1.203 CCCOC1CCCCCC1 7a_100000210887_100000210303 [0,1,0,1,0,0|1,0,0]=3 27356 B11R1.203 CCCSC1CCCCCC1 62a_100000210303_100011217769 [0,1,0,1,0,0|1,0,0]=3 27357 B11R1.203 CCCSC1CCCCCC1 62a_100011217769_100000210303 [0,1,0,1,0,0|1,0,0]=3 27358 B11R1.203 CCNCC1CCCCCC1 2230a_100015204231_100000210202 [0,1,0,1,0,0|1,0,0]=3 27359 B11R1.203 CCNCC1CCCCCC1 2230a_100015525214_200000696569 [0,1,0,1,0,0|1,0,0]=3 27360 B11R1.203 CCNCC1CCCCCC1 269862a_100015525214_200000763224 [0,1,0,1,0,0|1,0,0]=3 27361 B11R1.203 CCNCC1CCCCCC1 34a_100015204231_100000210202 [0,1,0,1,0,0|1,0,0]=3 27362 B11R1.203 CCOCC1CCCCCC1 34a_100000699130_100000210202 [0,1,0,1,0,0|1,0,0]=3 27363 B11R1.203 CCOCC1CCCCCC1 34a_100121572206_200000696569 [0,1,0,1,0,0|1,0,0]=3 27364 B11R1.203 CCOCC1CCCCCC1 7a_100000699130_100000210202 [0,1,0,1,0,0|1,0,0]=3 27365 B11R1.203 CCOCC1CNCCOC1 34a_100103147999_100000210202 [0,1,0,1,0,0|1,0,0]=3 27366 B11R1.203 CCOCN1CCCCCC1 269982a_100000185865_100000739092 [0,1,0,1,0,0|2,0,0]=4 27367 B11R1.203 CCOCN1CCCOCC1 269982a_100000685342_100000739092 [0,1,0,1,0,0|2,0,0]=4 27368 B11R1.203 CCSCC1CCCCCC1 62a_100000210202_200000696569 [0,1,0,1,0,0|1,0,0]=3 27369 B11R1.203 CCSCC1CCCCCC1 62a_200000696569_100000210202 [0,1,0,1,0,0|1,0,0]=3 27370 B11R1.203 CNCCC1CCCCCC1 2230a_100011532351_200000210301 [0,1,0,1,0,0|1,0,0]=3 27371 B11R1.203 CNCCC1CCCCCC1 34a_100011532351_200000210301 [0,1,0,1,0,0|1,0,0]=3 27372 B11R1.203 CNCCN1CCCCCC1 7a_106832991635_100000722644 [0,1,0,1,0,0|2,0,0]=4 27373 B11R1.203 COCCN1CCCCCC1 2230a_100000185865_100011201679 [0,1,0,1,0,0|2,0,0]=4 27374 B11R1.203 COCCN1CCCCCC1 269982a_100000185865_100000233755 [0,1,0,1,0,0|2,0,0]=4 27375 B11R1.203 COCCN1CCCCCC1 34a_100000185865_100011201679 [0,1,0,1,0,0|2,0,0]=4 27376 B11R1.203 COCCN1CCCCCC1 34a_100000238007_200000210301 [0,1,0,1,0,0|2,0,0]=4 27377 B11R1.203 COCCN1CCCOCC1 2230a_100000685342_100011201679 [0,1,0,1,0,0|2,0,0]=4 27378 B11R1.203 COCCN1CCCOCC1 269982a_100000685342_100000233755 [0,1,0,1,0,0|2,0,0]=4 27379 B11R1.203 COCCN1CCCOCC1 34a_100000685342_100011201679 [0,1,0,1,0,0|2,0,0]=4 27380 B11R1.203 COCNC1CCCCCC1 2230a_100000210984_100000766300 [0,1,0,1,0,0|2,0,0]=4 27381 B11R1.203 COCSC1CCCCCC1 62a_100000766300_100011217769 [0,1,0,1,0,0|2,0,0]=4 27382 B11R1.203 COCSC1CCCCCC1 62a_100011217769_100000766300 [0,1,0,1,0,0|2,0,0]=4 27383 B11R1.203 CSCCN1CCCCCC1 2230a_100000185865_100000751147 [0,1,0,1,0,0|2,0,0]=4 27384 B11R1.203 CSCCN1CCCCCC1 269982a_100000185865_100000212216 [0,1,0,1,0,0|2,0,0]=4 27385 B11R1.203 CSCCN1CCCCCC1 34a_100000185865_100000212216 [0,1,0,1,0,0|2,0,0]=4 27386 B11R1.203 CSCCN1CCCCCC1 62a_100000722644_200000210301 [0,1,0,1,0,0|2,0,0]=4 27387 B11R1.203 CSCCN1CCCCCC1 62a_200000210301_100000722644 [0,1,0,1,0,0|2,0,0]=4 27388 B11R1.203 CSCCN1CCCOCC1 2230a_100000685342_100000751147 [0,1,0,1,0,0|2,0,0]=4 27389 B11R1.203 CSCCN1CCCOCC1 269982a_100000685342_100000212216 [0,1,0,1,0,0|2,0,0]=4 27390 B11R1.203 CSCCN1CCCOCC1 34a_100000685342_100000212216 [0,1,0,1,0,0|2,0,0]=4 27391 B11R1.203 CSCNC1CCCCCC1 2230a_100000210984_100011218213 [0,1,0,1,0,0|2,0,0]=4 27392 B11R1.203 CSCNC1CCCCCC1 34a_100000210984_100011218213 [0,1,0,1,0,0|2,0,0]=4 27393 B11R1.203 CSCOC1CCCCCC1 34a_100000210887_100011218213 [0,1,0,1,0,0|2,0,0]=4 27394 B11R1.203 CSCSC1CCCCCC1 62a_100011217769_100011218213 [0,1,0,1,0,0|2,0,0]=4 27395 B11R1.203 CSCSC1CCCCCC1 62a_100011218213_100011217769 [0,1,0,1,0,0|2,0,0]=4 27396 B11R1.203 FCCCN1CCCCCC1 2230a_100000185865_100011934791 [0,1,0,1,0,0|2,0,0]=4 27397 B11R1.203 FCCCN1CCCCCC1 269982a_100000185865_100011934791 [0,1,0,1,0,0|2,0,0]=4 27398 B11R1.203 FCCCN1CCCCCC1 34a_100000185865_100011934791 [0,1,0,1,0,0|2,0,0]=4 27399 B11R1.203 FCCCN1CCCOCC1 2230a_100000685342_100011934791 [0,1,0,1,0,0|2,0,0]=4 27400 B11R1.203 FCCCN1CCCOCC1 269982a_100000685342_100011934791 [0,1,0,1,0,0|2,0,0]=4 27401 B11R1.203 FCCCN1CCCOCC1 34a_100000685342_100011934791 [0,1,0,1,0,0|2,0,0]=4 27402 B11R1.203 FCCNC1CCCCCC1 2230a_100000210984_100011217306 [0,1,0,1,0,0|2,0,0]=4 27403 B11R1.203 FCCNC1CCCCCC1 34a_100000210984_100011217306 [0,1,0,1,0,0|2,0,0]=4 27404 B11R1.203 FCCNC1CCCCCC1 34a_100000724931_100011217769 [0,1,0,1,0,0|2,0,0]=4 27405 B11R1.203 FCCOC1CCCCCC1 34a_100000210887_100011217306 [0,1,0,1,0,0|2,0,0]=4 27406 B11R1.203 FCCOC1CCCCCC1 7a_100000210887_100011217306 [0,1,0,1,0,0|2,0,0]=4 27407 B11R1.203 FCCSC1CCCCCC1 62a_100011217306_100011217769 [0,1,0,1,0,0|2,0,0]=4 27408 B11R1.203 FCCSC1CCCCCC1 62a_100011217769_100011217306 [0,1,0,1,0,0|2,0,0]=4 27409 B11R1.203 FCNCC1CCCCCC1 34a_100015204231_100015361967 [0,1,0,1,0,0|2,0,0]=4 27410 B11R1.203 FCOCC1CCCCCC1 34a_100000699130_100015361967 [0,1,0,1,0,0|2,0,0]=4 27411 B11R1.203 FCOCC1CCCCCC1 7a_100000699130_100015361967 [0,1,0,1,0,0|2,0,0]=4 27412 B11R1.203 FCOCC1CNCCOC1 34a_100103147999_100015361967 [0,1,0,1,0,0|2,0,0]=4 27413 B11R1.203 FCSCC1CCCCCC1 62a_100015361967_200000696569 [0,1,0,1,0,0|2,0,0]=4 27414 B11R1.203 FCSCC1CCCCCC1 62a_200000696569_100015361967 [0,1,0,1,0,0|2,0,0]=4 27415 B11R1.203 NCCOC1CCCCCC1 34a_100000210304_100011217769 [0,1,0,1,0,0|2,0,0]=4 27416 B11R1.203 OCCCN1CCCCCC1 2230a_100000185865_100000230001 [0,1,0,1,0,0|2,0,0]=4 27417 B11R1.203 OCCCN1CCCCCC1 269982a_100000185865_100011215043 [0,1,0,1,0,0|2,0,0]=4 27418 B11R1.203 OCCCN1CCCCCC1 34a_100000185865_100000230001 [0,1,0,1,0,0|2,0,0]=4 27419 B11R1.203 OCCCN1CCCOCC1 2230a_100000685342_100000230001 [0,1,0,1,0,0|2,0,0]=4 27420 B11R1.203 OCCCN1CCCOCC1 269982a_100000685342_100011215043 [0,1,0,1,0,0|2,0,0]=4 27421 B11R1.203 OCCCN1CCCOCC1 34a_100000685342_100000230001 [0,1,0,1,0,0|2,0,0]=4 27422 B11R1.203 OCCNC1CCCCCC1 2230a_100000210984_100000211926 [0,1,0,1,0,0|2,0,0]=4 27423 B11R1.203 OCCNC1CCCCCC1 270004a_100000210304_100000210131 [0,1,0,1,0,0|2,0,0]=4 27424 B11R1.203 OCCNC1CCCCCC1 34a_100000210984_100000211926 [0,1,0,1,0,0|2,0,0]=4 27425 B11R1.203 OCCNC1CCCCCC1 34a_100016990907_100011217769 [0,1,0,1,0,0|2,0,0]=4 27426 B11R1.203 OCCOC1CCCCCC1 34a_100000210887_100000211926 [0,1,0,1,0,0|2,0,0]=4 27427 B11R1.203 OCCOC1CCCCCC1 7a_100000210887_100000211926 [0,1,0,1,0,0|2,0,0]=4 27428 B11R1.203 OCCSC1CCCCCC1 62a_100000211926_100011217769 [0,1,0,1,0,0|2,0,0]=4 27429 B11R1.203 OCCSC1CCCCCC1 62a_100011217769_100000211926 [0,1,0,1,0,0|2,0,0]=4 27430 B11R1.203 [13CH3]NCCC1CCCCCC1 2230a_100011532351_200025704644 [0,1,0,1,0,0|1,0,0]=3 27431 B11R1.203 [13CH3]NCCC1CCCCCC1 34a_100011532351_200025704644 [0,1,0,1,0,0|1,0,0]=3 27432 B11R1.203 [13CH3]OCCN1CCCCCC1 34a_100000238007_200025704644 [0,1,0,1,0,0|2,0,0]=4 27433 B11R1.203 [13CH3]SCCN1CCCCCC1 62a_100000722644_200025704644 [0,1,0,1,0,0|2,0,0]=4 27434 B11R1.203 [13CH3]SCCN1CCCCCC1 62a_200025704644_100000722644 [0,1,0,1,0,0|2,0,0]=4 27435 B11R1.232 CCCCN1CCC1COC 2230a_100015195929_100000210211 [0,1,0,1,0,0|1,0,0]=3 27436 B11R1.232 CCCCN1CCC1COC 269982a_100015195929_100000210211 [0,1,0,1,0,0|1,0,0]=3 27437 B11R1.232 CCCCN1CCC1COC 34a_100015195929_100000210210 [0,1,0,1,0,0|1,0,0]=3 27438 B11R1.232 CCOCN1CCC1COC 269982a_100015195929_100000739092 [0,1,0,1,0,0|2,0,0]=4 27439 B11R1.232 COCC1CCN1CCCF 2230a_100015195929_100011934791 [0,1,0,1,0,0|2,0,0]=4 27440 B11R1.232 COCC1CCN1CCCF 269982a_100015195929_100011934791 [0,1,0,1,0,0|2,0,0]=4 27441 B11R1.232 COCC1CCN1CCCF 34a_100015195929_100011934791 [0,1,0,1,0,0|2,0,0]=4 27442 B11R1.232 COCC1CCN1CCCO 2230a_100015195929_100000230001 [0,1,0,1,0,0|2,0,0]=4 27443 B11R1.232 COCC1CCN1CCCO 269982a_100015195929_100011215043 [0,1,0,1,0,0|2,0,0]=4 27444 B11R1.232 COCC1CCN1CCCO 34a_100015195929_100000230001 [0,1,0,1,0,0|2,0,0]=4 27445 B11R1.232 COCC1CCN1CCSC 2230a_100015195929_100000751147 [0,1,0,1,0,0|2,0,0]=4 27446 B11R1.232 COCC1CCN1CCSC 269982a_100015195929_100000212216 [0,1,0,1,0,0|2,0,0]=4 27447 B11R1.232 COCC1CCN1CCSC 34a_100015195929_100000212216 [0,1,0,1,0,0|2,0,0]=4 27448 B11R1.232 COCCN1CCC1COC 2230a_100015195929_100011201679 [0,1,0,1,0,0|2,0,0]=4 27449 B11R1.232 COCCN1CCC1COC 269982a_100015195929_100000233755 [0,1,0,1,0,0|2,0,0]=4 27450 B11R1.232 COCCN1CCC1COC 34a_100015195929_100011201679 [0,1,0,1,0,0|2,0,0]=4 27451 B11R1.248 CCN1CCCCCCCC1 2230a_100000039187_100000210202 [0,1,0,1,0,0|1,0,0]=3 27452 B11R1.248 CCN1CCCCCCCC1 269982a_100000039187_100000204670 [0,1,0,1,0,0|1,0,0]=3 27453 B11R1.248 CCN1CCCCCCCC1 34a_100000039187_100000210202 [0,1,0,1,0,0|1,0,0]=3 27454 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [0,1,0,1,0,0|1,0,0]=3 27455 B11R1.248 FCN1CCCCCCCC1 269982a_100000039187_100015361967 [0,1,0,1,0,0|2,0,0]=4 27456 B11R1.248 FCN1CCCCCCCC1 34a_100000039187_100015361967 [0,1,0,1,0,0|2,0,0]=4 27457 B11R1.1 C=C1CCN(CC1)CCCC 2230a_100000752442_100000210211 [0,1,0,1,0,0|1,0,1]=4 27458 B11R1.1 C=C1CCN(CC1)CCCC 269982a_100000752442_100000210211 [0,1,0,1,0,0|1,0,1]=4 27459 B11R1.1 C=C1CCN(CC1)CCCC 34a_100000752442_100000210210 [0,1,0,1,0,0|1,0,1]=4 27460 B11R1.1 CC1CCN(CC1)CCCF 2230a_100000188429_100011934791 [0,1,0,1,0,0|2,0,0]=4 27461 B11R1.1 CC1CCN(CC1)CCCF 269982a_100000188429_100011934791 [0,1,0,1,0,0|2,0,0]=4 27462 B11R1.1 CC1CCN(CC1)CCCF 34a_100000188429_100011934791 [0,1,0,1,0,0|2,0,0]=4 27463 B11R1.1 CC1CCN(CC1)CCCO 2230a_100000188429_100000230001 [0,1,0,1,0,0|2,0,0]=4 27464 B11R1.1 CC1CCN(CC1)CCCO 269982a_100000188429_100011215043 [0,1,0,1,0,0|2,0,0]=4 27465 B11R1.1 CC1CCN(CC1)CCCO 34a_100000188429_100000230001 [0,1,0,1,0,0|2,0,0]=4 27466 B11R1.1 CCCCC1CCN(CC1)C 2230a_200016987432_200000210301 [0,1,0,1,0,0|2,0,0]=4 27467 B11R1.1 CCCCC1CCN(CC1)C 269982a_200016987432_200000210301 [0,1,0,1,0,0|2,0,0]=4 27468 B11R1.1 CCCCC1CCN(CC1)C 34a_200016987432_200000210301 [0,1,0,1,0,0|2,0,0]=4 27469 B11R1.1 CCCCC1CCN(CC1)[13CH3] 2230a_200016987432_200025704644 [0,1,0,1,0,0|2,0,0]=4 27470 B11R1.1 CCCCC1CCN(CC1)[13CH3] 269982a_200016987432_200025704644 [0,1,0,1,0,0|2,0,0]=4 27471 B11R1.1 CCCCC1CCN(CC1)[13CH3] 34a_200016987432_200025704644 [0,1,0,1,0,0|2,0,0]=4 27472 B11R1.1 CCCCN1CCC(CC1)C 2230a_100000188429_100000210211 [0,1,0,1,0,0|1,0,0]=3 27473 B11R1.1 CCCCN1CCC(CC1)C 269982a_100000188429_100000210211 [0,1,0,1,0,0|1,0,0]=3 27474 B11R1.1 CCCCN1CCC(CC1)C 34a_100000188429_100000210210 [0,1,0,1,0,0|1,0,0]=3 27475 B11R1.1 CCCCN1CCC(CC1)F 2230a_100015193889_100000210211 [0,1,0,1,0,0|1,0,0]=3 27476 B11R1.1 CCCCN1CCC(CC1)F 269982a_100015193889_100000210211 [0,1,0,1,0,0|1,0,0]=3 27477 B11R1.1 CCCCN1CCC(CC1)F 34a_100015193889_100000210210 [0,1,0,1,0,0|1,0,0]=3 27478 B11R1.1 CCCCN1CCC(CC1)O 2230a_100025773856_100000210211 [0,1,0,1,0,0|1,0,0]=3 27479 B11R1.1 CCCCN1CCC(CC1)O 269982a_100025773856_100000210211 [0,1,0,1,0,0|1,0,0]=3 27480 B11R1.1 CCCCN1CCN(CC1)C 2230a_100000188432_100000210211 [0,1,0,1,0,0|2,0,0]=4 27481 B11R1.1 CCCCN1CCN(CC1)C 2230a_100011194250_200000210301 [0,1,0,1,0,0|2,0,0]=4 27482 B11R1.1 CCCCN1CCN(CC1)C 269982a_100000188432_100000210211 [0,1,0,1,0,0|2,0,0]=4 27483 B11R1.1 CCCCN1CCN(CC1)C 269982a_100011194250_200000210301 [0,1,0,1,0,0|2,0,0]=4 27484 B11R1.1 CCCCN1CCN(CC1)[13CH3] 2230a_100011194250_200025704644 [0,1,0,1,0,0|2,0,0]=4 27485 B11R1.1 CCCCN1CCN(CC1)[13CH3] 269982a_100011194250_200025704644 [0,1,0,1,0,0|2,0,0]=4 27486 B11R1.1 CCCCN1CCS(=O)CC1 2230a_100000752083_100000210211 [0,1,0,1,0,0|2,0,0]=4 27487 B11R1.1 CCCCN1CCS(=O)CC1 269982a_100000752083_100000210211 [0,1,0,1,0,0|2,0,0]=4 27488 B11R1.1 CCCNC1CCC(CC1)C 270004a_100020643023_100000185489 [0,1,0,1,0,0|2,0,0]=4 27489 B11R1.1 CCCNC1CCC(CC1)O 270004a_100020643023_100000764474 [0,1,0,1,0,0|2,0,0]=4 27490 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210303 [0,1,0,1,0,0|2,0,0]=4 27491 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210303 [0,1,0,1,0,0|2,0,0]=4 27492 B11R1.1 CCCOC1CCC(CC1)C 34a_100000210258_200011216234 [0,1,0,1,0,0|2,0,0]=4 27493 B11R1.1 CCCOC1CCC(CC1)C 34a_100000210714_100000210303 [0,1,0,1,0,0|2,0,0]=4 27494 B11R1.1 CCCOC1CCC(CC1)C 7a_100000210714_100000210303 [0,1,0,1,0,0|2,0,0]=4 27495 B11R1.1 CCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210303 [0,1,0,1,0,0|2,0,0]=4 27496 B11R1.1 CCCSC1CCC(CC1)C 62a_100000210303_200011216234 [0,1,0,1,0,0|2,0,0]=4 27497 B11R1.1 CCNCC1CCC(CC1)C 2230a_103436935547_100000210202 [0,1,0,1,0,0|2,0,0]=4 27498 B11R1.1 CCNCC1CCC(CC1)C 34a_103436935547_100000210202 [0,1,0,1,0,0|2,0,0]=4 27499 B11R1.1 CCOCC1CCC(CC1)C 34a_100000701341_100000210202 [0,1,0,1,0,0|2,0,0]=4 27500 B11R1.1 CCOCN1CCC(CC1)C 269982a_100000188429_100000739092 [0,1,0,1,0,0|2,0,0]=4 27501 B11R1.1 CCOCN1CCC(CC1)F 269982a_100015193889_100000739092 [0,1,0,1,0,0|2,0,0]=4 27502 B11R1.1 CCOCN1CCC(CC1)O 269982a_100025773856_100000739092 [0,1,0,1,0,0|2,0,0]=4 27503 B11R1.1 CCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000210202 [0,1,0,1,0,0|2,0,0]=4 27504 B11R1.1 CNCCC1CCC(CC1)O 34a_200011935226_200000210301 [0,1,0,1,0,0|2,0,0]=4 27505 B11R1.1 COCCC1CCC(CC1)N 34a_100000070672_200000210301 [0,1,0,1,0,0|2,0,0]=4 27506 B11R1.1 COCCN1CCC(CC1)C 2230a_100000188429_100011201679 [0,1,0,1,0,0|2,0,0]=4 27507 B11R1.1 COCCN1CCC(CC1)C 269982a_100000188429_100000233755 [0,1,0,1,0,0|2,0,0]=4 27508 B11R1.1 COCCN1CCC(CC1)C 34a_100000188429_100011201679 [0,1,0,1,0,0|2,0,0]=4 27509 B11R1.1 COCCN1CCC(CC1)F 2230a_100015193889_100011201679 [0,1,0,1,0,0|2,0,0]=4 27510 B11R1.1 COCCN1CCC(CC1)F 269982a_100015193889_100000233755 [0,1,0,1,0,0|2,0,0]=4 27511 B11R1.1 COCCN1CCC(CC1)F 34a_100015193889_100011201679 [0,1,0,1,0,0|2,0,0]=4 27512 B11R1.1 COCCN1CCC(CC1)O 2230a_100025773856_100011201679 [0,1,0,1,0,0|2,0,0]=4 27513 B11R1.1 COCCN1CCC(CC1)O 269982a_100025773856_100000233755 [0,1,0,1,0,0|2,0,0]=4 27514 B11R1.1 CSCCN1CCC(CC1)C 2230a_100000188429_100000751147 [0,1,0,1,0,0|2,0,0]=4 27515 B11R1.1 CSCCN1CCC(CC1)C 269982a_100000188429_100000212216 [0,1,0,1,0,0|2,0,0]=4 27516 B11R1.1 CSCCN1CCC(CC1)C 34a_100000188429_100000212216 [0,1,0,1,0,0|2,0,0]=4 27517 B11R1.1 CSCCN1CCC(CC1)F 2230a_100015193889_100000751147 [0,1,0,1,0,0|2,0,0]=4 27518 B11R1.1 CSCCN1CCC(CC1)F 269982a_100015193889_100000212216 [0,1,0,1,0,0|2,0,0]=4 27519 B11R1.1 CSCCN1CCC(CC1)F 34a_100015193889_100000212216 [0,1,0,1,0,0|2,0,0]=4 27520 B11R1.1 CSCCN1CCC(CC1)O 2230a_100025773856_100000751147 [0,1,0,1,0,0|2,0,0]=4 27521 B11R1.1 CSCCN1CCC(CC1)O 269982a_100025773856_100000212216 [0,1,0,1,0,0|2,0,0]=4 27522 B11R1.1 FCCCN1CCC(CC1)F 2230a_100015193889_100011934791 [0,1,0,1,0,0|2,0,0]=4 27523 B11R1.1 FCCCN1CCC(CC1)F 269982a_100015193889_100011934791 [0,1,0,1,0,0|2,0,0]=4 27524 B11R1.1 FCCCN1CCC(CC1)F 34a_100015193889_100011934791 [0,1,0,1,0,0|2,0,0]=4 27525 B11R1.1 OC1CCN(CC1)CCCF 2230a_100025773856_100011934791 [0,1,0,1,0,0|2,0,0]=4 27526 B11R1.1 OC1CCN(CC1)CCCF 269982a_100025773856_100011934791 [0,1,0,1,0,0|2,0,0]=4 27527 B11R1.1 OCCCN1CCC(CC1)F 2230a_100015193889_100000230001 [0,1,0,1,0,0|2,0,0]=4 27528 B11R1.1 OCCCN1CCC(CC1)F 269982a_100015193889_100011215043 [0,1,0,1,0,0|2,0,0]=4 27529 B11R1.1 OCCCN1CCC(CC1)F 34a_100015193889_100000230001 [0,1,0,1,0,0|2,0,0]=4 27530 B11R1.1 OCCCN1CCC(CC1)O 2230a_100025773856_100000230001 [0,1,0,1,0,0|2,0,0]=4 27531 B11R1.1 OCCCN1CCC(CC1)O 269982a_100025773856_100011215043 [0,1,0,1,0,0|2,0,0]=4 27532 B11R1.1 [13CH3]NCCC1CCC(CC1)O 34a_200011935226_200025704644 [0,1,0,1,0,0|2,0,0]=4 27533 B11R1.1 [13CH3]OCCC1CCC(CC1)N 34a_100000070672_200025704644 [0,1,0,1,0,0|2,0,0]=4 27534 B11R1.13 CCNC1CCCC(C1C)C 2230a_100000211273_100000210202 [0,1,0,1,0,0|2,0,0]=4 27535 B11R1.13 CCNC1CCCC(C1C)C 34a_100000211273_100000210202 [0,1,0,1,0,0|2,0,0]=4 27536 B11R1.13 CCOC1CCCC(C1C)C 34a_100011217532_100000210202 [0,1,0,1,0,0|2,0,0]=4 27537 B11R1.13 CCOC1CCCC(C1C)C 7a_100011217532_100000210202 [0,1,0,1,0,0|2,0,0]=4 27538 B11R1.25 C=CC(C)COC1CCCC1 34a_100011215527_100000179811 [0,1,0,1,0,0|0,0,2]=4 27539 B11R1.25 C=CC(C)COC1CCCC1 7a_100011215527_100000179811 [0,1,0,1,0,0|0,0,2]=4 27540 B11R1.25 C=CC(O)COC1CCCC1 34a_100000210269_100000730141 [0,1,0,1,0,0|0,0,2]=4 27541 B11R1.25 C=CC(O)COC1CCCC1 7a_100000210269_100000730141 [0,1,0,1,0,0|0,0,2]=4 27542 B11R1.25 C=C[C@H](N)COC1CCCC1 34a_100016989147_100000179811 [0,1,0,1,0,0|0,0,2]=4 27543 B11R1.25 CC(CN)COC1CCCC1 34a_100000744482_100000179811 [0,1,0,1,0,0|1,0,0]=3 27544 B11R1.25 CC(CN)COC1CCOC1 34a_100000744482_100000690089 [0,1,0,1,0,0|2,0,0]=4 27545 B11R1.25 CC(CO)CNC1CCCC1 34a_100000744482_100000179811 [0,1,0,1,0,0|2,0,0]=4 27546 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [0,1,0,1,0,0|1,0,1]=4 27547 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [0,1,0,1,0,0|1,0,1]=4 27548 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000210414_100000004467 [0,1,0,1,0,0|1,0,1]=4 27549 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000738983_100000210202 [0,1,0,1,0,0|1,0,1]=4 27550 B11R1.25 CCC(=O)COC1CCCC1 1458a_100000741352_100000210202 [0,1,0,1,0,0|0,0,1]=3 27551 B11R1.25 CCC(=O)COC1CCCC1 34a_100000725409_100000179811 [0,1,0,1,0,0|0,0,1]=3 27552 B11R1.25 CCC(=O)COC1CCCC1 7a_100000210269_100000747405 [0,1,0,1,0,0|0,0,1]=3 27553 B11R1.25 CCC(=O)COC1CCOC1 34a_100000725409_100000690089 [0,1,0,1,0,0|1,0,1]=4 27554 B11R1.25 CCC(=O)COC1CCSC1 7a_100011232664_100000747405 [0,1,0,1,0,0|1,0,1]=4 27555 B11R1.25 CCC(=O)CSC1CCCC1 62a_100000747405_100000179811 [0,1,0,1,0,0|0,1,1]=4 27556 B11R1.25 CCC(=O)CSC1CCCC1 62a_100011217020_100000747405 [0,1,0,1,0,0|0,1,1]=4 27557 B11R1.25 CCC(C)CNC1CCCC1 2230a_100000211070_100000748023 [0,1,0,1,0,0|1,0,0]=3 27558 B11R1.25 CCC(C)CNC1CCCC1 2230a_100020588543_100000179811 [0,1,0,1,0,0|1,0,0]=3 27559 B11R1.25 CCC(C)CNC1CCCC1 270004a_100000211070_100000243153 [0,1,0,1,0,0|1,0,0]=3 27560 B11R1.25 CCC(C)CNC1CCCC1 270004a_100020588543_100000210133 [0,1,0,1,0,0|1,0,0]=3 27561 B11R1.25 CCC(C)CNC1CCCC1 34a_100000211070_100000748023 [0,1,0,1,0,0|1,0,0]=3 27562 B11R1.25 CCC(C)CNC1CCOC1 2230a_100020588543_100000731011 [0,1,0,1,0,0|2,0,0]=4 27563 B11R1.25 CCC(C)CNC1CCOC1 270004a_100020588543_100000752484 [0,1,0,1,0,0|2,0,0]=4 27564 B11R1.25 CCC(C)CNC1CCSC1 270004a_100020588543_100000212027 [0,1,0,1,0,0|2,0,0]=4 27565 B11R1.25 CCC(C)CN[C@@H]1CCOC1 2230a_200015188469_100000748023 [0,1,0,1,0,0|2,0,0]=4 27566 B11R1.25 CCC(C)CN[C@@H]1CCOC1 270004a_200015188469_100000243153 [0,1,0,1,0,0|2,0,0]=4 27567 B11R1.25 CCC(C)CN[C@H]1CCOC1 2230a_100015188467_100000748023 [0,1,0,1,0,0|2,0,0]=4 27568 B11R1.25 CCC(C)CN[C@H]1CCOC1 270004a_100015188467_100000243153 [0,1,0,1,0,0|2,0,0]=4 27569 B11R1.25 CCC(C)CN[C@H]1CCOC1 34a_100015188467_100000748023 [0,1,0,1,0,0|2,0,0]=4 27570 B11R1.25 CCC(C)COC1CCCC1 34a_100000210269_100000748023 [0,1,0,1,0,0|0,0,0]=2 27571 B11R1.25 CCC(C)COC1CCCC1 7a_100000210269_100000748023 [0,1,0,1,0,0|0,0,0]=2 27572 B11R1.25 CCC(C)COC1CCCO1 34a_100000085407_100000748023 [0,1,0,1,0,0|1,0,0]=3 27573 B11R1.25 CCC(C)COC1CCSC1 7a_100011232664_100000748023 [0,1,0,1,0,0|1,0,0]=3 27574 B11R1.25 CCC(C)CO[C@H]1CCOC1 34a_100000717292_100000748023 [0,1,0,1,0,0|1,0,0]=3 27575 B11R1.25 CCC(C)CSC1CCCC1 62a_100000748023_100000179811 [0,1,0,1,0,0|0,1,0]=3 27576 B11R1.25 CCC(C)CSC1CCCC1 62a_100011217020_100000748023 [0,1,0,1,0,0|0,1,0]=3 27577 B11R1.25 CCC(C)CSC1CCOC1 62a_100000748023_100000690089 [0,1,0,1,0,0|1,1,0]=4 27578 B11R1.25 CCC(C)NCC1CCCC1 2230a_100000209981_100000740388 [0,1,0,1,0,0|2,0,0]=4 27579 B11R1.25 CCC(C)NCC1CCCC1 2230a_100000737975_100000758301 [0,1,0,1,0,0|2,0,0]=4 27580 B11R1.25 CCC(C)NCC1CCCC1 269862a_100000209981_100000746403 [0,1,0,1,0,0|2,0,0]=4 27581 B11R1.25 CCC(C)NCC1CCCC1 34a_100000737975_100011215416 [0,1,0,1,0,0|2,0,0]=4 27582 B11R1.25 CCC(C)OCC1CCCC1 34a_100000742336_100011215416 [0,1,0,1,0,0|2,0,0]=4 27583 B11R1.25 CCC(C)OCC1CCCC1 7a_100000210228_100000740388 [0,1,0,1,0,0|2,0,0]=4 27584 B11R1.25 CCC(C)OCC1CCCC1 7a_100000742336_100000758301 [0,1,0,1,0,0|2,0,0]=4 27585 B11R1.25 CCC(C)SCC1CCCC1 62a_100000740388_100000758301 [0,1,0,1,0,0|2,0,0]=4 27586 B11R1.25 CCC(C)SCC1CCCC1 62a_100000758301_100000740388 [0,1,0,1,0,0|2,0,0]=4 27587 B11R1.25 CCC(O)CNC1CCCC1 2230a_100000211070_100011218378 [0,1,0,1,0,0|1,0,0]=3 27588 B11R1.25 CCC(O)CNC1CCCC1 2230a_100011218483_100000179811 [0,1,0,1,0,0|1,0,0]=3 27589 B11R1.25 CCC(O)CNC1CCCC1 270004a_100011218483_100000210133 [0,1,0,1,0,0|1,0,0]=3 27590 B11R1.25 CCC(O)CNC1CCCC1 34a_100000211070_100011218378 [0,1,0,1,0,0|1,0,0]=3 27591 B11R1.25 CCC(O)CNC1CCOC1 2230a_100011218483_100000731011 [0,1,0,1,0,0|2,0,0]=4 27592 B11R1.25 CCC(O)CNC1CCOC1 270004a_100011218483_100000752484 [0,1,0,1,0,0|2,0,0]=4 27593 B11R1.25 CCC(O)CNC1CCSC1 270004a_100011218483_100000212027 [0,1,0,1,0,0|2,0,0]=4 27594 B11R1.25 CCC(O)CN[C@@H]1CCOC1 2230a_200015188469_100011218378 [0,1,0,1,0,0|2,0,0]=4 27595 B11R1.25 CCC(O)CN[C@H]1CCOC1 2230a_100015188467_100011218378 [0,1,0,1,0,0|2,0,0]=4 27596 B11R1.25 CCC(O)CN[C@H]1CCOC1 34a_100015188467_100011218378 [0,1,0,1,0,0|2,0,0]=4 27597 B11R1.25 CCC(O)COC1CCCC1 34a_100000210269_100011218378 [0,1,0,1,0,0|0,0,0]=2 27598 B11R1.25 CCC(O)COC1CCCC1 7a_100000210269_100011218378 [0,1,0,1,0,0|0,0,0]=2 27599 B11R1.25 CCC(O)COC1CCCO1 34a_100000085407_100011218378 [0,1,0,1,0,0|1,0,0]=3 27600 B11R1.25 CCC(O)COC1CCSC1 7a_100011232664_100011218378 [0,1,0,1,0,0|1,0,0]=3 27601 B11R1.25 CCC(O)CO[C@H]1CCOC1 34a_100000717292_100011218378 [0,1,0,1,0,0|1,0,0]=3 27602 B11R1.25 CCC(O)CSC1CCCC1 62a_100011217020_100011218378 [0,1,0,1,0,0|0,1,0]=3 27603 B11R1.25 CCC(O)CSC1CCCC1 62a_100011218378_100000179811 [0,1,0,1,0,0|0,1,0]=3 27604 B11R1.25 CCC(O)CSC1CCOC1 62a_100011218378_100000690089 [0,1,0,1,0,0|1,1,0]=4 27605 B11R1.25 CCN(C)CCC1CCCC1 2230a_100000225621_100000760354 [0,1,0,1,0,0|2,0,0]=4 27606 B11R1.25 CCN(C)CCC1CCCC1 269982a_100000225621_100000760354 [0,1,0,1,0,0|2,0,0]=4 27607 B11R1.25 CCN(C)CCN1CCCC1 2230a_100000225677_100000210202 [0,1,0,1,0,0|2,0,0]=4 27608 B11R1.25 CCN(C)CCN1CCCC1 2230a_100000226055_200000210301 [0,1,0,1,0,0|2,0,0]=4 27609 B11R1.25 CCN(C)CCN1CCCC1 269982a_100000225621_100000004467 [0,1,0,1,0,0|2,0,0]=4 27610 B11R1.25 CCN(C)CCN1CCCC1 269982a_100000225677_100000204670 [0,1,0,1,0,0|2,0,0]=4 27611 B11R1.25 CCN(C)CCN1CCCC1 269982a_100000226055_200000210301 [0,1,0,1,0,0|2,0,0]=4 27612 B11R1.25 CCN([13CH3])CCN1CCCC1 2230a_100000226055_200025704644 [0,1,0,1,0,0|2,0,0]=4 27613 B11R1.25 CCN([13CH3])CCN1CCCC1 269982a_100000226055_200025704644 [0,1,0,1,0,0|2,0,0]=4 27614 B11R1.25 CC[C@H](C)CNC1CCCC1 2230a_100000211070_100009816398 [0,1,0,1,0,0|1,0,0]=3 27615 B11R1.25 CC[C@H](C)CNC1CCCC1 34a_100000211070_100009816398 [0,1,0,1,0,0|1,0,0]=3 27616 B11R1.25 CC[C@H](C)CN[C@@H]1CCOC1 2230a_200015188469_100009816398 [0,1,0,1,0,0|2,0,0]=4 27617 B11R1.25 CC[C@H](C)CN[C@H]1CCOC1 2230a_100015188467_100009816398 [0,1,0,1,0,0|2,0,0]=4 27618 B11R1.25 CC[C@H](C)CN[C@H]1CCOC1 34a_100015188467_100009816398 [0,1,0,1,0,0|2,0,0]=4 27619 B11R1.25 CC[C@H](C)COC1CCCC1 34a_100000210269_100009816398 [0,1,0,1,0,0|0,0,0]=2 27620 B11R1.25 CC[C@H](C)COC1CCCC1 7a_100000210269_100009816398 [0,1,0,1,0,0|0,0,0]=2 27621 B11R1.25 CC[C@H](C)COC1CCCC1 7a_100009816381_100000179811 [0,1,0,1,0,0|0,0,0]=2 27622 B11R1.25 CC[C@H](C)COC1CCCO1 34a_100000085407_100009816398 [0,1,0,1,0,0|1,0,0]=3 27623 B11R1.25 CC[C@H](C)COC1CCOC1 7a_100009816381_100000731011 [0,1,0,1,0,0|1,0,0]=3 27624 B11R1.25 CC[C@H](C)COC1CCSC1 7a_100011232664_100009816398 [0,1,0,1,0,0|1,0,0]=3 27625 B11R1.25 CC[C@H](C)CO[C@H]1CCOC1 34a_100000717292_100009816398 [0,1,0,1,0,0|1,0,0]=3 27626 B11R1.25 CC[C@H](C)CSC1CCCC1 62a_100009816398_100000179811 [0,1,0,1,0,0|0,1,0]=3 27627 B11R1.25 CC[C@H](C)CSC1CCCC1 62a_100011217020_100009816398 [0,1,0,1,0,0|0,1,0]=3 27628 B11R1.25 CC[C@H](C)CSC1CCOC1 62a_100009816398_100000690089 [0,1,0,1,0,0|1,1,0]=4 27629 B11R1.25 CNC(=O)COC1CCCC1 11a_106832991635_100000741352 [0,1,0,1,0,0|1,0,1]=4 27630 B11R1.25 CNC(=O)COC1CCCC1 1626a_100102657272_100000741352 [0,1,0,1,0,0|1,0,1]=4 27631 B11R1.25 CNC(=O)COC1CCCC1 240690a_100102657272_100000741352 [0,1,0,1,0,0|1,0,1]=4 27632 B11R1.25 CNC(=O)COC1CCCC1 34a_100000210269_100000183359 [0,1,0,1,0,0|1,0,1]=4 27633 B11R1.25 CNC(=O)COC1CCCC1 34a_100000750040_100000179811 [0,1,0,1,0,0|1,0,1]=4 27634 B11R1.25 CNC(=O)COC1CCCC1 527a_100102657272_100000741352 [0,1,0,1,0,0|1,0,1]=4 27635 B11R1.25 CNC(=O)COC1CCCC1 7a_100000210269_100000183359 [0,1,0,1,0,0|1,0,1]=4 27636 B11R1.25 COC(=O)COC1CCCC1 34a_100000210269_100000747449 [0,1,0,1,0,0|1,0,1]=4 27637 B11R1.25 COC(=O)COC1CCCC1 7a_100000210269_100000747449 [0,1,0,1,0,0|1,0,1]=4 27638 B11R1.25 COC(C)COC1CCCC1 34a_100000690652_100000179811 [0,1,0,1,0,0|1,0,0]=3 27639 B11R1.25 COC(C)COC1CCOC1 34a_100000690652_100000690089 [0,1,0,1,0,0|2,0,0]=4 27640 B11R1.25 CO[C@H](C)CNC1CCCC1 2230a_100020591295_100000179811 [0,1,0,1,0,0|2,0,0]=4 27641 B11R1.25 CO[C@H](C)CNC1CCCC1 270004a_100020591295_100000210133 [0,1,0,1,0,0|2,0,0]=4 27642 B11R1.25 C[C@@H](CO)CNC1CCCC1 2230a_100000211070_100000059175 [0,1,0,1,0,0|2,0,0]=4 27643 B11R1.25 C[C@@H](CO)CNC1CCCC1 34a_100000211070_100000059175 [0,1,0,1,0,0|2,0,0]=4 27644 B11R1.25 C[C@@H](CO)COC1CCCC1 34a_100000210269_100000059175 [0,1,0,1,0,0|1,0,0]=3 27645 B11R1.25 C[C@@H](CO)COC1CCCC1 7a_100000210269_100000059175 [0,1,0,1,0,0|1,0,0]=3 27646 B11R1.25 C[C@@H](CO)COC1CCCO1 34a_100000085407_100000059175 [0,1,0,1,0,0|2,0,0]=4 27647 B11R1.25 C[C@@H](CO)COC1CCSC1 7a_100011232664_100000059175 [0,1,0,1,0,0|2,0,0]=4 27648 B11R1.25 C[C@@H](CO)CO[C@H]1CCOC1 34a_100000717292_100000059175 [0,1,0,1,0,0|2,0,0]=4 27649 B11R1.25 C[C@@H](CO)CSC1CCCC1 62a_100000059175_100000179811 [0,1,0,1,0,0|1,1,0]=4 27650 B11R1.25 C[C@@H](CO)CSC1CCCC1 62a_100011217020_100000059175 [0,1,0,1,0,0|1,1,0]=4 27651 B11R1.25 ClCC(Cl)COC1CCCC1 34a_100000033668_100000179811 [0,1,0,1,0,0|1,0,0]=3 27652 B11R1.25 ClCC(Cl)COC1CCOC1 34a_100000033668_100000690089 [0,1,0,1,0,0|2,0,0]=4 27653 B11R1.25 NC[C@@H](F)COC1CCCC1 34a_100015665980_100000179811 [0,1,0,1,0,0|1,0,0]=3 27654 B11R1.25 NC[C@@H](F)COC1CCOC1 34a_100015665980_100000690089 [0,1,0,1,0,0|2,0,0]=4 27655 B11R1.25 O=C(CF)COC1CCCC1 1458a_100000741352_100015361967 [0,1,0,1,0,0|1,0,1]=4 27656 B11R1.25 OCC(O)CNC1CCCC1 2230a_100000211070_100011219619 [0,1,0,1,0,0|2,0,0]=4 27657 B11R1.25 OCC(O)CNC1CCCC1 34a_100000211070_100011219619 [0,1,0,1,0,0|2,0,0]=4 27658 B11R1.25 OCC(O)COC1CCCC1 34a_100000210269_100011219619 [0,1,0,1,0,0|1,0,0]=3 27659 B11R1.25 OCC(O)COC1CCCC1 7a_100000210269_100011219619 [0,1,0,1,0,0|1,0,0]=3 27660 B11R1.25 OCC(O)COC1CCCO1 34a_100000085407_100011219619 [0,1,0,1,0,0|2,0,0]=4 27661 B11R1.25 OCC(O)COC1CCSC1 7a_100011232664_100011219619 [0,1,0,1,0,0|2,0,0]=4 27662 B11R1.25 OCC(O)CO[C@H]1CCOC1 34a_100000717292_100011219619 [0,1,0,1,0,0|2,0,0]=4 27663 B11R1.25 OCC(O)CSC1CCCC1 62a_100011217020_100011219619 [0,1,0,1,0,0|1,1,0]=4 27664 B11R1.25 OCC(O)CSC1CCCC1 62a_100011219619_100000179811 [0,1,0,1,0,0|1,1,0]=4 27665 B11R1.25 OC[C@@H](O)CNC1CCCC1 2230a_100020644852_100000179811 [0,1,0,1,0,0|2,0,0]=4 27666 B11R1.25 OC[C@H](F)CNC1CCCC1 270004a_100015665980_100000210133 [0,1,0,1,0,0|2,0,0]=4 27667 B11R1.25 OC[C@H](F)CNC1CCCC1 34a_100015665980_100000179811 [0,1,0,1,0,0|2,0,0]=4 27668 B11R1.25 OC[C@H](O)CNC1CCCC1 2230a_100000211070_100009815848 [0,1,0,1,0,0|2,0,0]=4 27669 B11R1.25 OC[C@H](O)CNC1CCCC1 34a_100000211070_100009815848 [0,1,0,1,0,0|2,0,0]=4 27670 B11R1.25 OC[C@H](O)COC1CCCC1 34a_100000210269_100009815848 [0,1,0,1,0,0|1,0,0]=3 27671 B11R1.25 OC[C@H](O)COC1CCCC1 7a_100000210269_100009815848 [0,1,0,1,0,0|1,0,0]=3 27672 B11R1.25 OC[C@H](O)COC1CCCO1 34a_100000085407_100009815848 [0,1,0,1,0,0|2,0,0]=4 27673 B11R1.25 OC[C@H](O)COC1CCSC1 7a_100011232664_100009815848 [0,1,0,1,0,0|2,0,0]=4 27674 B11R1.25 OC[C@H](O)CO[C@H]1CCOC1 34a_100000717292_100009815848 [0,1,0,1,0,0|2,0,0]=4 27675 B11R1.25 OC[C@H](O)CSC1CCCC1 62a_100009815848_100000179811 [0,1,0,1,0,0|1,1,0]=4 27676 B11R1.25 OC[C@H](O)CSC1CCCC1 62a_100011217020_100009815848 [0,1,0,1,0,0|1,1,0]=4 27677 B11R1.25 O[C@@H](CF)CNC1CCCC1 2230a_100000211070_100015614560 [0,1,0,1,0,0|2,0,0]=4 27678 B11R1.25 O[C@@H](CF)CNC1CCCC1 34a_100000211070_100015614560 [0,1,0,1,0,0|2,0,0]=4 27679 B11R1.25 O[C@@H](CF)COC1CCCC1 34a_100000210269_100015614560 [0,1,0,1,0,0|1,0,0]=3 27680 B11R1.25 O[C@@H](CF)COC1CCCC1 7a_100000210269_100015614560 [0,1,0,1,0,0|1,0,0]=3 27681 B11R1.25 O[C@@H](CF)COC1CCCO1 34a_100000085407_100015614560 [0,1,0,1,0,0|2,0,0]=4 27682 B11R1.25 O[C@@H](CF)COC1CCSC1 7a_100011232664_100015614560 [0,1,0,1,0,0|2,0,0]=4 27683 B11R1.25 O[C@@H](CF)CO[C@H]1CCOC1 34a_100000717292_100015614560 [0,1,0,1,0,0|2,0,0]=4 27684 B11R1.25 O[C@@H](CF)CSC1CCCC1 62a_100011217020_100015614560 [0,1,0,1,0,0|1,1,0]=4 27685 B11R1.25 O[C@@H](CF)CSC1CCCC1 62a_100015614560_100000179811 [0,1,0,1,0,0|1,1,0]=4 27686 B11R1.40 CC(CN1CCCCC1)N[13CH3] 2230a_100000738326_200025704644 [0,1,0,1,0,0|2,0,0]=4 27687 B11R1.40 CC(CN1CCCCC1)S[13CH3] 62a_100009831500_200025704644 [0,1,0,1,0,0|2,0,0]=4 27688 B11R1.40 CC(CN1CCCCC1)S[13CH3] 62a_200025704644_100009831500 [0,1,0,1,0,0|2,0,0]=4 27689 B11R1.40 CC(CO)OC1CCCCO1 34a_100000033831_100012180447 [0,1,0,1,0,0|2,0,0]=4 27690 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [0,1,0,1,0,0|1,0,1]=4 27691 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [0,1,0,1,0,0|1,0,1]=4 27692 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000210414_100000211543 [0,1,0,1,0,0|0,0,1]=3 27693 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000238585_100000210202 [0,1,0,1,0,0|0,0,1]=3 27694 B11R1.40 CCC(=O)CN1CCCCC1 1458a_100000740322_100000210202 [0,1,0,1,0,0|1,0,1]=4 27695 B11R1.40 CCC(C)CN1CCCOC1 2230a_100000131196_100000748023 [0,1,0,1,0,0|2,0,0]=4 27696 B11R1.40 CCC(C)CN1CCCOC1 269982a_100000131196_100000748023 [0,1,0,1,0,0|2,0,0]=4 27697 B11R1.40 CCC(C)CN1CCCOC1 270004a_100000131196_100000243153 [0,1,0,1,0,0|2,0,0]=4 27698 B11R1.40 CCC(C)CN1CCCOC1 34a_100000131196_100000748023 [0,1,0,1,0,0|2,0,0]=4 27699 B11R1.40 CCC(C)CN1CCOCC1 2230a_100015191051_100000748023 [0,1,0,1,0,0|2,0,0]=4 27700 B11R1.40 CCC(C)CN1CCOCC1 269982a_100015191051_100000748023 [0,1,0,1,0,0|2,0,0]=4 27701 B11R1.40 CCC(C)CN1CCOCC1 270004a_100015191051_100000243153 [0,1,0,1,0,0|2,0,0]=4 27702 B11R1.40 CCC(C)CN1CCOCC1 34a_100015191051_100000748023 [0,1,0,1,0,0|2,0,0]=4 27703 B11R1.40 CCC(C)CN1CCSCC1 2230a_100000737611_100000748023 [0,1,0,1,0,0|2,0,0]=4 27704 B11R1.40 CCC(C)CN1CCSCC1 269982a_100000737611_100000748023 [0,1,0,1,0,0|2,0,0]=4 27705 B11R1.40 CCC(C)CN1CCSCC1 270004a_100000737611_100000243153 [0,1,0,1,0,0|2,0,0]=4 27706 B11R1.40 CCC(C)NC1CCCCC1 2230a_100000182618_100000758301 [0,1,0,1,0,0|2,0,0]=4 27707 B11R1.40 CCC(C)NC1CCCCC1 270004a_100000209981_100000210434 [0,1,0,1,0,0|2,0,0]=4 27708 B11R1.40 CCC(C)NC1CCCCC1 34a_100000182618_100011215416 [0,1,0,1,0,0|2,0,0]=4 27709 B11R1.40 CCC(C)OC1CCCCC1 34a_100000210231_100011215416 [0,1,0,1,0,0|2,0,0]=4 27710 B11R1.40 CCC(C)OC1CCCCC1 7a_100000210228_100000210327 [0,1,0,1,0,0|2,0,0]=4 27711 B11R1.40 CCC(C)OC1CCCCC1 7a_100000210231_100000758301 [0,1,0,1,0,0|2,0,0]=4 27712 B11R1.40 CCC(C)OC1CCCCO1 34a_100000033831_100011215416 [0,1,0,1,0,0|1,0,0]=3 27713 B11R1.40 CCC(C)SC1CCCCC1 62a_100000210327_100000758301 [0,1,0,1,0,0|2,0,0]=4 27714 B11R1.40 CCC(C)SC1CCCCC1 62a_100000758301_100000210327 [0,1,0,1,0,0|2,0,0]=4 27715 B11R1.40 CCC(O)CN1CCCOC1 2230a_100000131196_100011218378 [0,1,0,1,0,0|2,0,0]=4 27716 B11R1.40 CCC(O)CN1CCCOC1 269982a_100000131196_100011218378 [0,1,0,1,0,0|2,0,0]=4 27717 B11R1.40 CCC(O)CN1CCCOC1 34a_100000131196_100011218378 [0,1,0,1,0,0|2,0,0]=4 27718 B11R1.40 CCC(O)CN1CCOCC1 2230a_100015191051_100011218378 [0,1,0,1,0,0|2,0,0]=4 27719 B11R1.40 CCC(O)CN1CCOCC1 269982a_100015191051_100011218378 [0,1,0,1,0,0|2,0,0]=4 27720 B11R1.40 CCC(O)CN1CCOCC1 34a_100015191051_100011218378 [0,1,0,1,0,0|2,0,0]=4 27721 B11R1.40 CCC(O)CN1CCSCC1 2230a_100000737611_100011218378 [0,1,0,1,0,0|2,0,0]=4 27722 B11R1.40 CCC(O)CN1CCSCC1 269982a_100000737611_100011218378 [0,1,0,1,0,0|2,0,0]=4 27723 B11R1.40 CCN(C)CC1CCCCC1 2230a_100000225621_100000211423 [0,1,0,1,0,0|2,0,0]=4 27724 B11R1.40 CCN(C)CC1CCCCC1 2230a_100000736448_100000210202 [0,1,0,1,0,0|2,0,0]=4 27725 B11R1.40 CCN(C)CC1CCCCC1 269982a_100000225621_100000211423 [0,1,0,1,0,0|2,0,0]=4 27726 B11R1.40 CCN(C)CC1CCCCC1 269982a_100000736448_100000204670 [0,1,0,1,0,0|2,0,0]=4 27727 B11R1.40 CCN(C)CC1CCCCC1 34a_100000736448_100000210202 [0,1,0,1,0,0|2,0,0]=4 27728 B11R1.40 CCN(C)CC1CCCCO1 2230a_100000225621_100000211543 [0,1,0,1,0,0|1,0,0]=3 27729 B11R1.40 CCN(C)CC1CCCCO1 2230a_100000225654_100000210202 [0,1,0,1,0,0|1,0,0]=3 27730 B11R1.40 CCN(C)CC1CCCCO1 2230a_100015185122_200000210301 [0,1,0,1,0,0|1,0,0]=3 27731 B11R1.40 CCN(C)CC1CCCCO1 269982a_100000225621_100000211543 [0,1,0,1,0,0|1,0,0]=3 27732 B11R1.40 CCN(C)CC1CCCCO1 269982a_100000225654_100000204670 [0,1,0,1,0,0|1,0,0]=3 27733 B11R1.40 CCN(C)CC1CCCCO1 269982a_100015185122_200000210301 [0,1,0,1,0,0|1,0,0]=3 27734 B11R1.40 CCN(C)CC1CCCCO1 34a_100000225654_100000210202 [0,1,0,1,0,0|1,0,0]=3 27735 B11R1.40 CCN(C)CC1CCCCO1 34a_100015185122_200000210301 [0,1,0,1,0,0|1,0,0]=3 27736 B11R1.40 CCN(C)CC1COCCO1 2230a_100011398995_100000210202 [0,1,0,1,0,0|2,0,0]=4 27737 B11R1.40 CCN(C)CC1COCCO1 269982a_100011398995_100000204670 [0,1,0,1,0,0|2,0,0]=4 27738 B11R1.40 CCN(C)CC1COCCO1 34a_100011398995_100000210202 [0,1,0,1,0,0|2,0,0]=4 27739 B11R1.40 CCN([13CH3])CC1CCCCO1 2230a_100015185122_200025704644 [0,1,0,1,0,0|1,0,0]=3 27740 B11R1.40 CCN([13CH3])CC1CCCCO1 269982a_100015185122_200025704644 [0,1,0,1,0,0|1,0,0]=3 27741 B11R1.40 CCN([13CH3])CC1CCCCO1 34a_100015185122_200025704644 [0,1,0,1,0,0|1,0,0]=3 27742 B11R1.40 CC[C@H](C)CN1CCCOC1 2230a_100000131196_100009816398 [0,1,0,1,0,0|2,0,0]=4 27743 B11R1.40 CC[C@H](C)CN1CCCOC1 269982a_100000131196_100009816398 [0,1,0,1,0,0|2,0,0]=4 27744 B11R1.40 CC[C@H](C)CN1CCCOC1 34a_100000131196_100009816398 [0,1,0,1,0,0|2,0,0]=4 27745 B11R1.40 CC[C@H](C)CN1CCOCC1 2230a_100015191051_100009816398 [0,1,0,1,0,0|2,0,0]=4 27746 B11R1.40 CC[C@H](C)CN1CCOCC1 269982a_100015191051_100009816398 [0,1,0,1,0,0|2,0,0]=4 27747 B11R1.40 CC[C@H](C)CN1CCOCC1 34a_100015191051_100009816398 [0,1,0,1,0,0|2,0,0]=4 27748 B11R1.40 CC[C@H](C)CN1CCSCC1 2230a_100000737611_100009816398 [0,1,0,1,0,0|2,0,0]=4 27749 B11R1.40 CC[C@H](C)CN1CCSCC1 269982a_100000737611_100009816398 [0,1,0,1,0,0|2,0,0]=4 27750 B11R1.40 CN(CF)CC1CCCCO1 269982a_100000225654_100015361967 [0,1,0,1,0,0|2,0,0]=4 27751 B11R1.40 CN(CF)CC1CCCCO1 34a_100000225654_100015361967 [0,1,0,1,0,0|2,0,0]=4 27752 B11R1.40 CNC(=O)CC1CCCCO1 11a_106832991635_100000238585 [0,1,0,1,0,0|1,0,1]=4 27753 B11R1.40 CNC(=O)CC1CCCCO1 1626a_100102657272_100000238585 [0,1,0,1,0,0|1,0,1]=4 27754 B11R1.40 CNC(=O)CC1CCCCO1 240690a_100102657272_100000238585 [0,1,0,1,0,0|1,0,1]=4 27755 B11R1.40 CNC(=O)CC1CCCCO1 527a_100102657272_100000238585 [0,1,0,1,0,0|1,0,1]=4 27756 B11R1.40 CNC(C)CC1CCCCC1 270004a_106832991635_100011215996 [0,1,0,1,0,0|2,0,0]=4 27757 B11R1.40 CNC(C)CN1CCCCC1 2230a_100000738326_200000210301 [0,1,0,1,0,0|2,0,0]=4 27758 B11R1.40 CSC(C)CN1CCCCC1 62a_100009831500_200000210301 [0,1,0,1,0,0|2,0,0]=4 27759 B11R1.40 CSC(C)CN1CCCCC1 62a_200000210301_100009831500 [0,1,0,1,0,0|2,0,0]=4 27760 B11R1.40 O=C(CF)CC1CCCCO1 1458a_100000238585_100015361967 [0,1,0,1,0,0|1,0,1]=4 27761 B11R1.40 O=C(CO)CC1CCCCO1 1458a_100000210174_100000211543 [0,1,0,1,0,0|1,0,1]=4 27762 B11R1.59 CCC(C)N1CCCC1CC 2230a_100000754278_100000758301 [0,1,0,1,0,0|2,0,0]=4 27763 B11R1.59 CCC(C)N1CCCC1CC 269982a_100000754278_100000758301 [0,1,0,1,0,0|2,0,0]=4 27764 B11R1.59 CCC(C)N1CCCC1CC 34a_100000754278_100011215416 [0,1,0,1,0,0|2,0,0]=4 27765 B11R1.214 CCCCN1CCC(C1)CO 2230a_100000748654_100000210211 [0,1,0,1,0,0|2,0,0]=4 27766 B11R1.214 CCCCN1CCC(C1)CO 269982a_100000748654_100000210211 [0,1,0,1,0,0|2,0,0]=4 27767 B11R1.214 CCCCN1CCC(C1)CO 34a_100000748654_100000210210 [0,1,0,1,0,0|2,0,0]=4 27768 B11R1.214 CCCCN1CC[C@H](C1)OC 2230a_100000766984_100000210211 [0,1,0,1,0,0|2,0,0]=4 27769 B11R1.214 CCCCN1CC[C@H](C1)OC 269982a_100000766984_100000210211 [0,1,0,1,0,0|2,0,0]=4 27770 B11R1.214 CCCNC1CCC(C1)CC 270004a_100020643023_100011218773 [0,1,0,1,0,0|2,0,0]=4 27771 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [0,1,0,1,0,0|1,0,1]=4 27772 B11R1.222 CCC(C)N1CCCCC1C 2230a_100000211376_100000758301 [0,1,0,1,0,0|2,0,0]=4 27773 B11R1.222 CCC(C)N1CCCCC1C 269982a_100000211376_100000758301 [0,1,0,1,0,0|2,0,0]=4 27774 B11R1.222 CCC(C)N1CCCCC1C 34a_100000211376_100011215416 [0,1,0,1,0,0|2,0,0]=4 27775 B11R1.223 CC[C@H](C)COC1CCC1=O 7a_100009816381_100009892977 [0,1,0,1,0,0|1,0,1]=4 27776 B11R1.228 CCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747405 [0,1,0,1,0,0|1,0,1]=4 27777 B11R1.228 CCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747405 [0,1,0,1,0,0|1,0,1]=4 27778 B11R1.228 CCC(C)CN1CCC[C@@H]1C 2230a_100020605311_100000748023 [0,1,0,1,0,0|1,0,0]=3 27779 B11R1.228 CCC(C)CN1CCC[C@@H]1C 269982a_100020605311_100000748023 [0,1,0,1,0,0|1,0,0]=3 27780 B11R1.228 CCC(C)CN1CCC[C@@H]1C 270004a_100020605311_100000243153 [0,1,0,1,0,0|1,0,0]=3 27781 B11R1.228 CCC(C)CN1CCC[C@H]1C 2230a_100015189458_100000748023 [0,1,0,1,0,0|1,0,0]=3 27782 B11R1.228 CCC(C)CN1CCC[C@H]1C 269982a_100015189458_100000748023 [0,1,0,1,0,0|1,0,0]=3 27783 B11R1.228 CCC(C)CN1CCC[C@H]1C 270004a_100015189458_100000243153 [0,1,0,1,0,0|1,0,0]=3 27784 B11R1.228 CCC(C)CN1CCC[C@H]1C 34a_100015189458_100000748023 [0,1,0,1,0,0|1,0,0]=3 27785 B11R1.228 CCC(C)CN1CCSC1C 2230a_200011216479_100000748023 [0,1,0,1,0,0|2,0,0]=4 27786 B11R1.228 CCC(C)CN1CCSC1C 269982a_200011216479_100000748023 [0,1,0,1,0,0|2,0,0]=4 27787 B11R1.228 CCC(C)CN1CCSC1C 270004a_200011216479_100000243153 [0,1,0,1,0,0|2,0,0]=4 27788 B11R1.228 CCC(C)CN1CCSC1C 34a_200011216479_100000748023 [0,1,0,1,0,0|2,0,0]=4 27789 B11R1.228 CCC(C)NC1CCCC1C 269862a_100000209981_100000752053 [0,1,0,1,0,0|2,0,0]=4 27790 B11R1.228 CCC(C)OC1CCCC1C 34a_100011216460_100011215416 [0,1,0,1,0,0|2,0,0]=4 27791 B11R1.228 CCC(C)OC1CCCC1C 7a_100011216460_100000758301 [0,1,0,1,0,0|2,0,0]=4 27792 B11R1.228 CCC(O)CN1CCC[C@@H]1C 2230a_100020605311_100011218378 [0,1,0,1,0,0|1,0,0]=3 27793 B11R1.228 CCC(O)CN1CCC[C@@H]1C 269982a_100020605311_100011218378 [0,1,0,1,0,0|1,0,0]=3 27794 B11R1.228 CCC(O)CN1CCC[C@H]1C 2230a_100015189458_100011218378 [0,1,0,1,0,0|1,0,0]=3 27795 B11R1.228 CCC(O)CN1CCC[C@H]1C 269982a_100015189458_100011218378 [0,1,0,1,0,0|1,0,0]=3 27796 B11R1.228 CCC(O)CN1CCC[C@H]1C 34a_100015189458_100011218378 [0,1,0,1,0,0|1,0,0]=3 27797 B11R1.228 CCC(O)CN1CCSC1C 2230a_200011216479_100011218378 [0,1,0,1,0,0|2,0,0]=4 27798 B11R1.228 CCC(O)CN1CCSC1C 269982a_200011216479_100011218378 [0,1,0,1,0,0|2,0,0]=4 27799 B11R1.228 CCC(O)CN1CCSC1C 34a_200011216479_100011218378 [0,1,0,1,0,0|2,0,0]=4 27800 B11R1.228 CC[C@H](C)CN1CCC[C@@H]1C 2230a_100020605311_100009816398 [0,1,0,1,0,0|1,0,0]=3 27801 B11R1.228 CC[C@H](C)CN1CCC[C@@H]1C 269982a_100020605311_100009816398 [0,1,0,1,0,0|1,0,0]=3 27802 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 2230a_100015189458_100009816398 [0,1,0,1,0,0|1,0,0]=3 27803 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 269982a_100015189458_100009816398 [0,1,0,1,0,0|1,0,0]=3 27804 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 34a_100015189458_100009816398 [0,1,0,1,0,0|1,0,0]=3 27805 B11R1.228 CC[C@H](C)CN1CCSC1C 2230a_200011216479_100009816398 [0,1,0,1,0,0|2,0,0]=4 27806 B11R1.228 CC[C@H](C)CN1CCSC1C 269982a_200011216479_100009816398 [0,1,0,1,0,0|2,0,0]=4 27807 B11R1.228 CC[C@H](C)CN1CCSC1C 34a_200011216479_100009816398 [0,1,0,1,0,0|2,0,0]=4 27808 B11R1.228 C[C@@H](CO)CN1CCC[C@@H]1C 2230a_100020605311_100000059175 [0,1,0,1,0,0|2,0,0]=4 27809 B11R1.228 C[C@@H](CO)CN1CCC[C@@H]1C 269982a_100020605311_100000059175 [0,1,0,1,0,0|2,0,0]=4 27810 B11R1.228 C[C@@H](CO)CN1CCC[C@H]1C 2230a_100015189458_100000059175 [0,1,0,1,0,0|2,0,0]=4 27811 B11R1.228 C[C@@H](CO)CN1CCC[C@H]1C 269982a_100015189458_100000059175 [0,1,0,1,0,0|2,0,0]=4 27812 B11R1.228 C[C@@H](CO)CN1CCC[C@H]1C 34a_100015189458_100000059175 [0,1,0,1,0,0|2,0,0]=4 27813 B11R1.228 C[C@@H]1CCCN1CC(O)CO 2230a_100015189458_100011219619 [0,1,0,1,0,0|2,0,0]=4 27814 B11R1.228 C[C@@H]1CCCN1CC(O)CO 34a_100015189458_100011219619 [0,1,0,1,0,0|2,0,0]=4 27815 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CF 2230a_100015189458_100015614560 [0,1,0,1,0,0|2,0,0]=4 27816 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CF 34a_100015189458_100015614560 [0,1,0,1,0,0|2,0,0]=4 27817 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CO 2230a_100015189458_100009815848 [0,1,0,1,0,0|2,0,0]=4 27818 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CO 34a_100015189458_100009815848 [0,1,0,1,0,0|2,0,0]=4 27819 B11R1.228 C[C@H]1CCCN1CC(O)CO 2230a_100020605311_100011219619 [0,1,0,1,0,0|2,0,0]=4 27820 B11R1.228 C[C@H]1CCCN1C[C@@H](O)CF 2230a_100020605311_100015614560 [0,1,0,1,0,0|2,0,0]=4 27821 B11R1.228 C[C@H]1CCCN1C[C@@H](O)CO 2230a_100020605311_100009815848 [0,1,0,1,0,0|2,0,0]=4 27822 B11R1.235 C=CC(O)COCC1CC1C 34a_100000744939_100000730141 [0,1,0,1,0,0|0,0,2]=4 27823 B11R1.235 C=CC(O)COCC1CC1C 7a_100000744939_100000730141 [0,1,0,1,0,0|0,0,2]=4 27824 B11R1.235 CC1CC1COCC(O)CO 34a_100000744939_100011219619 [0,1,0,1,0,0|1,0,0]=3 27825 B11R1.235 CC1CC1COCC(O)CO 7a_100000744939_100011219619 [0,1,0,1,0,0|1,0,0]=3 27826 B11R1.235 CC1CC1COC[C@@H](C)CO 34a_100000744939_100000059175 [0,1,0,1,0,0|1,0,0]=3 27827 B11R1.235 CC1CC1COC[C@@H](C)CO 7a_100000744939_100000059175 [0,1,0,1,0,0|1,0,0]=3 27828 B11R1.235 CC1CC1COC[C@@H](O)CF 34a_100000744939_100015614560 [0,1,0,1,0,0|1,0,0]=3 27829 B11R1.235 CC1CC1COC[C@@H](O)CF 7a_100000744939_100015614560 [0,1,0,1,0,0|1,0,0]=3 27830 B11R1.235 CC1CC1COC[C@@H](O)CO 34a_100000744939_100009815848 [0,1,0,1,0,0|1,0,0]=3 27831 B11R1.235 CC1CC1COC[C@@H](O)CO 7a_100000744939_100009815848 [0,1,0,1,0,0|1,0,0]=3 27832 B11R1.235 CCC(=O)COCC1CC1C 7a_100000744939_100000747405 [0,1,0,1,0,0|0,0,1]=3 27833 B11R1.235 CCC(C)COCC1CC1C 34a_100000744939_100000748023 [0,1,0,1,0,0|0,0,0]=2 27834 B11R1.235 CCC(C)COCC1CC1C 7a_100000744939_100000748023 [0,1,0,1,0,0|0,0,0]=2 27835 B11R1.235 CCC(O)COCC1CC1C 34a_100000744939_100011218378 [0,1,0,1,0,0|0,0,0]=2 27836 B11R1.235 CCC(O)COCC1CC1C 7a_100000744939_100011218378 [0,1,0,1,0,0|0,0,0]=2 27837 B11R1.235 CC[C@H](C)COCC1CC1C 34a_100000744939_100009816398 [0,1,0,1,0,0|0,0,0]=2 27838 B11R1.235 CC[C@H](C)COCC1CC1C 7a_100000744939_100009816398 [0,1,0,1,0,0|0,0,0]=2 27839 B11R1.235 CNC(=O)COCC1CC1C 34a_100000744939_100000183359 [0,1,0,1,0,0|1,0,1]=4 27840 B11R1.235 CNC(=O)COCC1CC1C 7a_100000744939_100000183359 [0,1,0,1,0,0|1,0,1]=4 27841 B11R1.235 COC(=O)COCC1CC1C 34a_100000744939_100000747449 [0,1,0,1,0,0|1,0,1]=4 27842 B11R1.235 COC(=O)COCC1CC1C 7a_100000744939_100000747449 [0,1,0,1,0,0|1,0,1]=4 27843 B11R1.236 C=CC(C)COCC1CCC1 34a_100011215527_100000763275 [0,1,0,1,0,0|0,0,2]=4 27844 B11R1.236 C=CC(C)COCC1CCC1 7a_100011215527_100000763275 [0,1,0,1,0,0|0,0,2]=4 27845 B11R1.236 C=CC(O)COCC1CCC1 34a_100000760304_100000730141 [0,1,0,1,0,0|0,0,2]=4 27846 B11R1.236 C=C[C@H](N)COCC1CCC1 34a_100016989147_100000763275 [0,1,0,1,0,0|0,0,2]=4 27847 B11R1.236 CC(CN)COCC1CCC1 34a_100000744482_100000763275 [0,1,0,1,0,0|1,0,0]=3 27848 B11R1.236 CC(CN)COCC1CCO1 34a_100000744482_100000103362 [0,1,0,1,0,0|2,0,0]=4 27849 B11R1.236 CC(CN)COCC1COC1 34a_100000744482_100010264016 [0,1,0,1,0,0|2,0,0]=4 27850 B11R1.236 CC(CO)CCNC1CCC1 270004a_106354213184_100000241760 [0,1,0,1,0,0|2,0,0]=4 27851 B11R1.236 CC(CO)CCNC1CCC1 34a_106354213184_100000749161 [0,1,0,1,0,0|2,0,0]=4 27852 B11R1.236 CC(CO)CNCC1CCC1 269862a_100000744482_100000753134 [0,1,0,1,0,0|2,0,0]=4 27853 B11R1.236 CC(CO)CNCC1CCC1 34a_100000744482_100000763275 [0,1,0,1,0,0|2,0,0]=4 27854 B11R1.236 CCC(=O)COCC1CCC1 34a_100000725409_100000763275 [0,1,0,1,0,0|0,0,1]=3 27855 B11R1.236 CCC(=O)COCC1CCO1 34a_100000725409_100000103362 [0,1,0,1,0,0|1,0,1]=4 27856 B11R1.236 CCC(=O)COCC1COC1 34a_100000725409_100010264016 [0,1,0,1,0,0|1,0,1]=4 27857 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000747405_100000763275 [0,1,0,1,0,0|0,1,1]=4 27858 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000763275_100000747405 [0,1,0,1,0,0|0,1,1]=4 27859 B11R1.236 CCC(C)CCNC1CCC1 270004a_100020591266_100000241760 [0,1,0,1,0,0|1,0,0]=3 27860 B11R1.236 CCC(C)CCOC1COC1 7a_100011215188_100009818527 [0,1,0,1,0,0|1,0,0]=3 27861 B11R1.236 CCC(C)CNCC1CCC1 2230a_100000738700_100000748023 [0,1,0,1,0,0|1,0,0]=3 27862 B11R1.236 CCC(C)CNCC1CCC1 2230a_100020588543_100000763275 [0,1,0,1,0,0|1,0,0]=3 27863 B11R1.236 CCC(C)CNCC1CCC1 269862a_100020588543_100000753134 [0,1,0,1,0,0|1,0,0]=3 27864 B11R1.236 CCC(C)CNCC1CCC1 270004a_100000738700_100000243153 [0,1,0,1,0,0|1,0,0]=3 27865 B11R1.236 CCC(C)CNCC1CCC1 34a_100000738700_100000748023 [0,1,0,1,0,0|1,0,0]=3 27866 B11R1.236 CCC(C)CNCC1CCO1 2230a_100020588543_100000103362 [0,1,0,1,0,0|2,0,0]=4 27867 B11R1.236 CCC(C)CNCC1COC1 2230a_100015281925_100000748023 [0,1,0,1,0,0|2,0,0]=4 27868 B11R1.236 CCC(C)CNCC1COC1 2230a_100020588543_100010264016 [0,1,0,1,0,0|2,0,0]=4 27869 B11R1.236 CCC(C)CNCC1COC1 270004a_100015281925_100000243153 [0,1,0,1,0,0|2,0,0]=4 27870 B11R1.236 CCC(C)CNCC1COC1 34a_100015281925_100000748023 [0,1,0,1,0,0|2,0,0]=4 27871 B11R1.236 CCC(C)CNC[C@@H]1CCO1 2230a_100020831831_100000748023 [0,1,0,1,0,0|2,0,0]=4 27872 B11R1.236 CCC(C)CNC[C@@H]1CCO1 270004a_100020831831_100000243153 [0,1,0,1,0,0|2,0,0]=4 27873 B11R1.236 CCC(C)CNC[C@@H]1CCO1 34a_100020831831_100000748023 [0,1,0,1,0,0|2,0,0]=4 27874 B11R1.236 CCC(C)COCC1CCC1 34a_100000760304_100000748023 [0,1,0,1,0,0|0,0,0]=2 27875 B11R1.236 CCC(C)COCC1CCO1 34a_100000039022_100000748023 [0,1,0,1,0,0|1,0,0]=3 27876 B11R1.236 CCC(C)COCC1CNC1 34a_100016987283_100000748023 [0,1,0,1,0,0|1,0,0]=3 27877 B11R1.236 CCC(C)COCC1COC1 34a_100000060846_100000748023 [0,1,0,1,0,0|1,0,0]=3 27878 B11R1.236 CCC(C)CSCC1CCC1 62a_100000748023_100000763275 [0,1,0,1,0,0|0,1,0]=3 27879 B11R1.236 CCC(C)CSCC1CCC1 62a_100000763275_100000748023 [0,1,0,1,0,0|0,1,0]=3 27880 B11R1.236 CCC(C)CSCC1CCO1 62a_100000103362_100000748023 [0,1,0,1,0,0|1,1,0]=4 27881 B11R1.236 CCC(C)CSCC1CCO1 62a_100000748023_100000103362 [0,1,0,1,0,0|1,1,0]=4 27882 B11R1.236 CCC(C)CSCC1COC1 62a_100000748023_100010264016 [0,1,0,1,0,0|1,1,0]=4 27883 B11R1.236 CCC(C)CSCC1COC1 62a_100010264016_100000748023 [0,1,0,1,0,0|1,1,0]=4 27884 B11R1.236 CCC(O)CNCC1CCC1 2230a_100000738700_100011218378 [0,1,0,1,0,0|1,0,0]=3 27885 B11R1.236 CCC(O)CNCC1CCC1 2230a_100011218483_100000763275 [0,1,0,1,0,0|1,0,0]=3 27886 B11R1.236 CCC(O)CNCC1CCC1 269862a_100011218483_100000753134 [0,1,0,1,0,0|1,0,0]=3 27887 B11R1.236 CCC(O)CNCC1CCC1 34a_100000738700_100011218378 [0,1,0,1,0,0|1,0,0]=3 27888 B11R1.236 CCC(O)CNCC1CCO1 2230a_100011218483_100000103362 [0,1,0,1,0,0|2,0,0]=4 27889 B11R1.236 CCC(O)CNCC1COC1 2230a_100011218483_100010264016 [0,1,0,1,0,0|2,0,0]=4 27890 B11R1.236 CCC(O)CNCC1COC1 2230a_100015281925_100011218378 [0,1,0,1,0,0|2,0,0]=4 27891 B11R1.236 CCC(O)CNCC1COC1 34a_100015281925_100011218378 [0,1,0,1,0,0|2,0,0]=4 27892 B11R1.236 CCC(O)CNC[C@@H]1CCO1 2230a_100020831831_100011218378 [0,1,0,1,0,0|2,0,0]=4 27893 B11R1.236 CCC(O)CNC[C@@H]1CCO1 34a_100020831831_100011218378 [0,1,0,1,0,0|2,0,0]=4 27894 B11R1.236 CCC(O)COCC1CCC1 34a_100000760304_100011218378 [0,1,0,1,0,0|0,0,0]=2 27895 B11R1.236 CCC(O)COCC1CCO1 34a_100000039022_100011218378 [0,1,0,1,0,0|1,0,0]=3 27896 B11R1.236 CCC(O)COCC1CNC1 34a_100016987283_100011218378 [0,1,0,1,0,0|1,0,0]=3 27897 B11R1.236 CCC(O)COCC1COC1 34a_100000060846_100011218378 [0,1,0,1,0,0|1,0,0]=3 27898 B11R1.236 CCC(O)CSCC1CCC1 62a_100000763275_100011218378 [0,1,0,1,0,0|0,1,0]=3 27899 B11R1.236 CCC(O)CSCC1CCC1 62a_100011218378_100000763275 [0,1,0,1,0,0|0,1,0]=3 27900 B11R1.236 CCC(O)CSCC1CCO1 62a_100000103362_100011218378 [0,1,0,1,0,0|1,1,0]=4 27901 B11R1.236 CCC(O)CSCC1CCO1 62a_100011218378_100000103362 [0,1,0,1,0,0|1,1,0]=4 27902 B11R1.236 CCC(O)CSCC1COC1 62a_100010264016_100011218378 [0,1,0,1,0,0|1,1,0]=4 27903 B11R1.236 CCC(O)CSCC1COC1 62a_100011218378_100010264016 [0,1,0,1,0,0|1,1,0]=4 27904 B11R1.236 CC[C@H](C)CNCC1CCC1 2230a_100000738700_100009816398 [0,1,0,1,0,0|1,0,0]=3 27905 B11R1.236 CC[C@H](C)CNCC1CCC1 34a_100000738700_100009816398 [0,1,0,1,0,0|1,0,0]=3 27906 B11R1.236 CC[C@H](C)CNCC1COC1 2230a_100015281925_100009816398 [0,1,0,1,0,0|2,0,0]=4 27907 B11R1.236 CC[C@H](C)CNCC1COC1 34a_100015281925_100009816398 [0,1,0,1,0,0|2,0,0]=4 27908 B11R1.236 CC[C@H](C)CNC[C@@H]1CCO1 2230a_100020831831_100009816398 [0,1,0,1,0,0|2,0,0]=4 27909 B11R1.236 CC[C@H](C)CNC[C@@H]1CCO1 34a_100020831831_100009816398 [0,1,0,1,0,0|2,0,0]=4 27910 B11R1.236 CC[C@H](C)COCC1CCC1 34a_100000760304_100009816398 [0,1,0,1,0,0|0,0,0]=2 27911 B11R1.236 CC[C@H](C)COCC1CCC1 7a_100009816381_100000763275 [0,1,0,1,0,0|0,0,0]=2 27912 B11R1.236 CC[C@H](C)COCC1CCO1 34a_100000039022_100009816398 [0,1,0,1,0,0|1,0,0]=3 27913 B11R1.236 CC[C@H](C)COCC1CCO1 7a_100009816381_100000103362 [0,1,0,1,0,0|1,0,0]=3 27914 B11R1.236 CC[C@H](C)COCC1CNC1 34a_100016987283_100009816398 [0,1,0,1,0,0|1,0,0]=3 27915 B11R1.236 CC[C@H](C)COCC1COC1 34a_100000060846_100009816398 [0,1,0,1,0,0|1,0,0]=3 27916 B11R1.236 CC[C@H](C)COCC1COC1 7a_100009816381_100010264016 [0,1,0,1,0,0|1,0,0]=3 27917 B11R1.236 CC[C@H](C)CSCC1CCC1 62a_100000763275_100009816398 [0,1,0,1,0,0|0,1,0]=3 27918 B11R1.236 CC[C@H](C)CSCC1CCC1 62a_100009816398_100000763275 [0,1,0,1,0,0|0,1,0]=3 27919 B11R1.236 CC[C@H](C)CSCC1CCO1 62a_100000103362_100009816398 [0,1,0,1,0,0|1,1,0]=4 27920 B11R1.236 CC[C@H](C)CSCC1CCO1 62a_100009816398_100000103362 [0,1,0,1,0,0|1,1,0]=4 27921 B11R1.236 CC[C@H](C)CSCC1COC1 62a_100009816398_100010264016 [0,1,0,1,0,0|1,1,0]=4 27922 B11R1.236 CC[C@H](C)CSCC1COC1 62a_100010264016_100009816398 [0,1,0,1,0,0|1,1,0]=4 27923 B11R1.236 CNC(=O)CCOC1CCC1 34a_100000748187_100012179268 [0,1,0,1,0,0|1,0,1]=4 27924 B11R1.236 CNC(=O)CCOC1CCC1 34a_100000754576_100000749161 [0,1,0,1,0,0|1,0,1]=4 27925 B11R1.236 CNC(=O)COCC1CCC1 34a_100000750040_100000763275 [0,1,0,1,0,0|1,0,1]=4 27926 B11R1.236 CNC(=O)COCC1CCC1 34a_100000760304_100000183359 [0,1,0,1,0,0|1,0,1]=4 27927 B11R1.236 COC(=O)CCOC1CCC1 34a_100000748187_100000742370 [0,1,0,1,0,0|1,0,1]=4 27928 B11R1.236 COC(=O)COCC1CCC1 34a_100000760304_100000747449 [0,1,0,1,0,0|1,0,1]=4 27929 B11R1.236 COC(C)CCOC1COC1 7a_100000764861_100009818527 [0,1,0,1,0,0|2,0,0]=4 27930 B11R1.236 COC(C)COCC1CCC1 34a_100000690652_100000763275 [0,1,0,1,0,0|1,0,0]=3 27931 B11R1.236 COC(C)COCC1CCO1 34a_100000690652_100000103362 [0,1,0,1,0,0|2,0,0]=4 27932 B11R1.236 COC(C)COCC1COC1 34a_100000690652_100010264016 [0,1,0,1,0,0|2,0,0]=4 27933 B11R1.236 CO[C@H](C)CNCC1CCC1 2230a_100020591295_100000763275 [0,1,0,1,0,0|2,0,0]=4 27934 B11R1.236 CO[C@H](C)CNCC1CCC1 269862a_100020591295_100000753134 [0,1,0,1,0,0|2,0,0]=4 27935 B11R1.236 C[C@@H](CO)CNCC1CCC1 2230a_100000738700_100000059175 [0,1,0,1,0,0|2,0,0]=4 27936 B11R1.236 C[C@@H](CO)CNCC1CCC1 34a_100000738700_100000059175 [0,1,0,1,0,0|2,0,0]=4 27937 B11R1.236 C[C@@H](CO)COCC1CCC1 34a_100000760304_100000059175 [0,1,0,1,0,0|1,0,0]=3 27938 B11R1.236 C[C@@H](CO)COCC1CCO1 34a_100000039022_100000059175 [0,1,0,1,0,0|2,0,0]=4 27939 B11R1.236 C[C@@H](CO)COCC1CNC1 34a_100016987283_100000059175 [0,1,0,1,0,0|2,0,0]=4 27940 B11R1.236 C[C@@H](CO)COCC1COC1 34a_100000060846_100000059175 [0,1,0,1,0,0|2,0,0]=4 27941 B11R1.236 C[C@@H](CO)CSCC1CCC1 62a_100000059175_100000763275 [0,1,0,1,0,0|1,1,0]=4 27942 B11R1.236 C[C@@H](CO)CSCC1CCC1 62a_100000763275_100000059175 [0,1,0,1,0,0|1,1,0]=4 27943 B11R1.236 ClCC(Cl)COCC1CCC1 34a_100000033668_100000763275 [0,1,0,1,0,0|1,0,0]=3 27944 B11R1.236 ClCC(Cl)COCC1CCO1 34a_100000033668_100000103362 [0,1,0,1,0,0|2,0,0]=4 27945 B11R1.236 ClCC(Cl)COCC1COC1 34a_100000033668_100010264016 [0,1,0,1,0,0|2,0,0]=4 27946 B11R1.236 NC[C@@H](F)COCC1CCC1 34a_100015665980_100000763275 [0,1,0,1,0,0|1,0,0]=3 27947 B11R1.236 NC[C@@H](F)COCC1CCO1 34a_100015665980_100000103362 [0,1,0,1,0,0|2,0,0]=4 27948 B11R1.236 NC[C@@H](F)COCC1COC1 34a_100015665980_100010264016 [0,1,0,1,0,0|2,0,0]=4 27949 B11R1.236 OCC(O)CNCC1CCC1 2230a_100000738700_100011219619 [0,1,0,1,0,0|2,0,0]=4 27950 B11R1.236 OCC(O)CNCC1CCC1 34a_100000738700_100011219619 [0,1,0,1,0,0|2,0,0]=4 27951 B11R1.236 OCC(O)COCC1CCC1 34a_100000760304_100011219619 [0,1,0,1,0,0|1,0,0]=3 27952 B11R1.236 OCC(O)COCC1CCO1 34a_100000039022_100011219619 [0,1,0,1,0,0|2,0,0]=4 27953 B11R1.236 OCC(O)COCC1CNC1 34a_100016987283_100011219619 [0,1,0,1,0,0|2,0,0]=4 27954 B11R1.236 OCC(O)COCC1COC1 34a_100000060846_100011219619 [0,1,0,1,0,0|2,0,0]=4 27955 B11R1.236 OCC(O)CSCC1CCC1 62a_100000763275_100011219619 [0,1,0,1,0,0|1,1,0]=4 27956 B11R1.236 OCC(O)CSCC1CCC1 62a_100011219619_100000763275 [0,1,0,1,0,0|1,1,0]=4 27957 B11R1.236 OC[C@@H](O)CNCC1CCC1 2230a_100020644852_100000763275 [0,1,0,1,0,0|2,0,0]=4 27958 B11R1.236 OC[C@@H](O)CNCC1CCC1 269862a_100020644852_100000753134 [0,1,0,1,0,0|2,0,0]=4 27959 B11R1.236 OC[C@H](F)CNCC1CCC1 269862a_100015665980_100000753134 [0,1,0,1,0,0|2,0,0]=4 27960 B11R1.236 OC[C@H](F)CNCC1CCC1 34a_100015665980_100000763275 [0,1,0,1,0,0|2,0,0]=4 27961 B11R1.236 OC[C@H](O)CNCC1CCC1 2230a_100000738700_100009815848 [0,1,0,1,0,0|2,0,0]=4 27962 B11R1.236 OC[C@H](O)CNCC1CCC1 34a_100000738700_100009815848 [0,1,0,1,0,0|2,0,0]=4 27963 B11R1.236 OC[C@H](O)COCC1CCC1 34a_100000760304_100009815848 [0,1,0,1,0,0|1,0,0]=3 27964 B11R1.236 OC[C@H](O)COCC1CCO1 34a_100000039022_100009815848 [0,1,0,1,0,0|2,0,0]=4 27965 B11R1.236 OC[C@H](O)COCC1CNC1 34a_100016987283_100009815848 [0,1,0,1,0,0|2,0,0]=4 27966 B11R1.236 OC[C@H](O)COCC1COC1 34a_100000060846_100009815848 [0,1,0,1,0,0|2,0,0]=4 27967 B11R1.236 OC[C@H](O)CSCC1CCC1 62a_100000763275_100009815848 [0,1,0,1,0,0|1,1,0]=4 27968 B11R1.236 OC[C@H](O)CSCC1CCC1 62a_100009815848_100000763275 [0,1,0,1,0,0|1,1,0]=4 27969 B11R1.236 O[C@@H](CF)CNCC1CCC1 2230a_100000738700_100015614560 [0,1,0,1,0,0|2,0,0]=4 27970 B11R1.236 O[C@@H](CF)CNCC1CCC1 34a_100000738700_100015614560 [0,1,0,1,0,0|2,0,0]=4 27971 B11R1.236 O[C@@H](CF)COCC1CCC1 34a_100000760304_100015614560 [0,1,0,1,0,0|1,0,0]=3 27972 B11R1.236 O[C@@H](CF)COCC1CCO1 34a_100000039022_100015614560 [0,1,0,1,0,0|2,0,0]=4 27973 B11R1.236 O[C@@H](CF)COCC1CNC1 34a_100016987283_100015614560 [0,1,0,1,0,0|2,0,0]=4 27974 B11R1.236 O[C@@H](CF)COCC1COC1 34a_100000060846_100015614560 [0,1,0,1,0,0|2,0,0]=4 27975 B11R1.236 O[C@@H](CF)CSCC1CCC1 62a_100000763275_100015614560 [0,1,0,1,0,0|1,1,0]=4 27976 B11R1.236 O[C@@H](CF)CSCC1CCC1 62a_100015614560_100000763275 [0,1,0,1,0,0|1,1,0]=4 27977 B11R1.237 C=CC(C)COCCC1CC1 34a_100011215527_100000694398 [0,1,0,1,0,0|0,0,2]=4 27978 B11R1.237 C=CC(C)COCCC1CC1 7a_100011215527_100000764125 [0,1,0,1,0,0|0,0,2]=4 27979 B11R1.237 C=CC(O)COCCC1CC1 34a_100000754188_100000730141 [0,1,0,1,0,0|0,0,2]=4 27980 B11R1.237 C=CC(O)COCCC1CC1 7a_100000754188_100000730141 [0,1,0,1,0,0|0,0,2]=4 27981 B11R1.237 C=C[C@H](N)COCCC1CC1 34a_100016989147_100000694398 [0,1,0,1,0,0|0,0,2]=4 27982 B11R1.237 CC(CN)COCCC1CC1 34a_100000744482_100000694398 [0,1,0,1,0,0|1,0,0]=3 27983 B11R1.237 CC(CN)COCCC1CO1 34a_100000744482_100000732470 [0,1,0,1,0,0|2,0,0]=4 27984 B11R1.237 CC(CO)CCNCC1CC1 2230a_106354213184_100000742324 [0,1,0,1,0,0|2,0,0]=4 27985 B11R1.237 CC(CO)CCNCC1CC1 269862a_106354213184_100000741477 [0,1,0,1,0,0|2,0,0]=4 27986 B11R1.237 CC(CO)CCNCC1CC1 34a_106354213184_100000742324 [0,1,0,1,0,0|2,0,0]=4 27987 B11R1.237 CC(CO)CNCCC1CC1 34a_100000744482_100000694398 [0,1,0,1,0,0|2,0,0]=4 27988 B11R1.237 CCC(=O)COCCC1CC1 34a_100000725409_100000694398 [0,1,0,1,0,0|0,0,1]=3 27989 B11R1.237 CCC(=O)COCCC1CC1 7a_100000754188_100000747405 [0,1,0,1,0,0|0,0,1]=3 27990 B11R1.237 CCC(=O)COCCC1CO1 34a_100000725409_100000732470 [0,1,0,1,0,0|1,0,1]=4 27991 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000747405_100000764125 [0,1,0,1,0,0|0,1,1]=4 27992 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000764125_100000747405 [0,1,0,1,0,0|0,1,1]=4 27993 B11R1.237 CCC(C)CCNCC1CC1 2230a_100020591266_100000742324 [0,1,0,1,0,0|1,0,0]=3 27994 B11R1.237 CCC(C)CCNCC1CC1 269862a_100020591266_100000741477 [0,1,0,1,0,0|1,0,0]=3 27995 B11R1.237 CCC(C)CCNCC1CO1 2230a_100020591266_100011216344 [0,1,0,1,0,0|2,0,0]=4 27996 B11R1.237 CCC(C)CCOCC1CC1 7a_100011215188_100000742324 [0,1,0,1,0,0|0,0,0]=2 27997 B11R1.237 CCC(C)CCOCC1CO1 7a_100011215188_102125554688 [0,1,0,1,0,0|1,0,0]=3 27998 B11R1.237 CCC(C)CCOCC1CS1 7a_100011215188_100000031435 [0,1,0,1,0,0|1,0,0]=3 27999 B11R1.237 CCC(C)CCOC[C@@H]1CO1 7a_100011215188_100000745022 [0,1,0,1,0,0|1,0,0]=3 28000 B11R1.237 CCC(C)CNCCC1CC1 2230a_100020588543_100000694398 [0,1,0,1,0,0|1,0,0]=3 28001 B11R1.237 CCC(C)CNCCC1CC1 270004a_100000764129_100000243153 [0,1,0,1,0,0|1,0,0]=3 28002 B11R1.237 CCC(C)CNCCC1CC1 34a_100000764129_100000748023 [0,1,0,1,0,0|1,0,0]=3 28003 B11R1.237 CCC(C)CNCCC1CO1 2230a_100020588543_100000732470 [0,1,0,1,0,0|2,0,0]=4 28004 B11R1.237 CCC(C)COCCC1CC1 34a_100000754188_100000748023 [0,1,0,1,0,0|0,0,0]=2 28005 B11R1.237 CCC(C)COCCC1CC1 7a_100000754188_100000748023 [0,1,0,1,0,0|0,0,0]=2 28006 B11R1.237 CCC(C)COCC[C@@H]1CO1 34a_100009820653_100000748023 [0,1,0,1,0,0|1,0,0]=3 28007 B11R1.237 CCC(C)CSCCC1CC1 62a_100000748023_100000764125 [0,1,0,1,0,0|0,1,0]=3 28008 B11R1.237 CCC(C)CSCCC1CC1 62a_100000764125_100000748023 [0,1,0,1,0,0|0,1,0]=3 28009 B11R1.237 CCC(C)CSCCC1CO1 62a_100000732470_100000748023 [0,1,0,1,0,0|1,1,0]=4 28010 B11R1.237 CCC(C)CSCCC1CO1 62a_100000748023_100000732470 [0,1,0,1,0,0|1,1,0]=4 28011 B11R1.237 CCC(O)CNCCC1CC1 2230a_100011218483_100000694398 [0,1,0,1,0,0|1,0,0]=3 28012 B11R1.237 CCC(O)CNCCC1CC1 34a_100000764129_100011218378 [0,1,0,1,0,0|1,0,0]=3 28013 B11R1.237 CCC(O)CNCCC1CO1 2230a_100011218483_100000732470 [0,1,0,1,0,0|2,0,0]=4 28014 B11R1.237 CCC(O)COCCC1CC1 34a_100000754188_100011218378 [0,1,0,1,0,0|0,0,0]=2 28015 B11R1.237 CCC(O)COCCC1CC1 7a_100000754188_100011218378 [0,1,0,1,0,0|0,0,0]=2 28016 B11R1.237 CCC(O)COCC[C@@H]1CO1 34a_100009820653_100011218378 [0,1,0,1,0,0|1,0,0]=3 28017 B11R1.237 CCC(O)CSCCC1CC1 62a_100000764125_100011218378 [0,1,0,1,0,0|0,1,0]=3 28018 B11R1.237 CCC(O)CSCCC1CC1 62a_100011218378_100000764125 [0,1,0,1,0,0|0,1,0]=3 28019 B11R1.237 CCC(O)CSCCC1CO1 62a_100000732470_100011218378 [0,1,0,1,0,0|1,1,0]=4 28020 B11R1.237 CCC(O)CSCCC1CO1 62a_100011218378_100000732470 [0,1,0,1,0,0|1,1,0]=4 28021 B11R1.237 CC[C@H](C)CNCCC1CC1 34a_100000764129_100009816398 [0,1,0,1,0,0|1,0,0]=3 28022 B11R1.237 CC[C@H](C)COCCC1CC1 34a_100000754188_100009816398 [0,1,0,1,0,0|0,0,0]=2 28023 B11R1.237 CC[C@H](C)COCCC1CC1 7a_100000754188_100009816398 [0,1,0,1,0,0|0,0,0]=2 28024 B11R1.237 CC[C@H](C)COCCC1CC1 7a_100009816381_100000764125 [0,1,0,1,0,0|0,0,0]=2 28025 B11R1.237 CC[C@H](C)COCCC1CO1 7a_100009816381_100000732470 [0,1,0,1,0,0|1,0,0]=3 28026 B11R1.237 CC[C@H](C)COCC[C@@H]1CO1 34a_100009820653_100009816398 [0,1,0,1,0,0|1,0,0]=3 28027 B11R1.237 CC[C@H](C)CSCCC1CC1 62a_100000764125_100009816398 [0,1,0,1,0,0|0,1,0]=3 28028 B11R1.237 CC[C@H](C)CSCCC1CC1 62a_100009816398_100000764125 [0,1,0,1,0,0|0,1,0]=3 28029 B11R1.237 CC[C@H](C)CSCCC1CO1 62a_100000732470_100009816398 [0,1,0,1,0,0|1,1,0]=4 28030 B11R1.237 CC[C@H](C)CSCCC1CO1 62a_100009816398_100000732470 [0,1,0,1,0,0|1,1,0]=4 28031 B11R1.237 CNC(=O)CCOCC1CC1 34a_100000211283_100012179268 [0,1,0,1,0,0|1,0,1]=4 28032 B11R1.237 CNC(=O)CCOCC1CC1 34a_100000754576_100000742324 [0,1,0,1,0,0|1,0,1]=4 28033 B11R1.237 CNC(=O)COCCC1CC1 34a_100000750040_100000694398 [0,1,0,1,0,0|1,0,1]=4 28034 B11R1.237 CNC(=O)COCCC1CC1 34a_100000754188_100000183359 [0,1,0,1,0,0|1,0,1]=4 28035 B11R1.237 CNC(=O)COCCC1CC1 7a_100000754188_100000183359 [0,1,0,1,0,0|1,0,1]=4 28036 B11R1.237 COC(=O)CCOCC1CC1 34a_100000211283_100000742370 [0,1,0,1,0,0|1,0,1]=4 28037 B11R1.237 COC(=O)COCCC1CC1 34a_100000754188_100000747449 [0,1,0,1,0,0|1,0,1]=4 28038 B11R1.237 COC(=O)COCCC1CC1 7a_100000754188_100000747449 [0,1,0,1,0,0|1,0,1]=4 28039 B11R1.237 COC(C)CCOCC1CC1 7a_100000764861_100000742324 [0,1,0,1,0,0|1,0,0]=3 28040 B11R1.237 COC(C)CCOCC1CO1 7a_100000764861_102125554688 [0,1,0,1,0,0|2,0,0]=4 28041 B11R1.237 COC(C)CCOCC1CS1 7a_100000764861_100000031435 [0,1,0,1,0,0|2,0,0]=4 28042 B11R1.237 COC(C)CCOC[C@@H]1CO1 7a_100000764861_100000745022 [0,1,0,1,0,0|2,0,0]=4 28043 B11R1.237 COC(C)COCCC1CC1 34a_100000690652_100000694398 [0,1,0,1,0,0|1,0,0]=3 28044 B11R1.237 COC(C)COCCC1CO1 34a_100000690652_100000732470 [0,1,0,1,0,0|2,0,0]=4 28045 B11R1.237 CO[C@H](C)CNCCC1CC1 2230a_100020591295_100000694398 [0,1,0,1,0,0|2,0,0]=4 28046 B11R1.237 C[C@@H](CO)CNCCC1CC1 34a_100000764129_100000059175 [0,1,0,1,0,0|2,0,0]=4 28047 B11R1.237 C[C@@H](CO)COCCC1CC1 34a_100000754188_100000059175 [0,1,0,1,0,0|1,0,0]=3 28048 B11R1.237 C[C@@H](CO)COCCC1CC1 7a_100000754188_100000059175 [0,1,0,1,0,0|1,0,0]=3 28049 B11R1.237 C[C@@H](CO)COCC[C@@H]1CO1 34a_100009820653_100000059175 [0,1,0,1,0,0|2,0,0]=4 28050 B11R1.237 C[C@@H](CO)CSCCC1CC1 62a_100000059175_100000764125 [0,1,0,1,0,0|1,1,0]=4 28051 B11R1.237 C[C@@H](CO)CSCCC1CC1 62a_100000764125_100000059175 [0,1,0,1,0,0|1,1,0]=4 28052 B11R1.237 ClCC(Cl)COCCC1CC1 34a_100000033668_100000694398 [0,1,0,1,0,0|1,0,0]=3 28053 B11R1.237 ClCC(Cl)COCCC1CO1 34a_100000033668_100000732470 [0,1,0,1,0,0|2,0,0]=4 28054 B11R1.237 NC[C@@H](F)COCCC1CC1 34a_100015665980_100000694398 [0,1,0,1,0,0|1,0,0]=3 28055 B11R1.237 NC[C@@H](F)COCCC1CO1 34a_100015665980_100000732470 [0,1,0,1,0,0|2,0,0]=4 28056 B11R1.237 OCC(O)CNCCC1CC1 34a_100000764129_100011219619 [0,1,0,1,0,0|2,0,0]=4 28057 B11R1.237 OCC(O)COCCC1CC1 34a_100000754188_100011219619 [0,1,0,1,0,0|1,0,0]=3 28058 B11R1.237 OCC(O)COCCC1CC1 7a_100000754188_100011219619 [0,1,0,1,0,0|1,0,0]=3 28059 B11R1.237 OCC(O)COCC[C@@H]1CO1 34a_100009820653_100011219619 [0,1,0,1,0,0|2,0,0]=4 28060 B11R1.237 OCC(O)CSCCC1CC1 62a_100000764125_100011219619 [0,1,0,1,0,0|1,1,0]=4 28061 B11R1.237 OCC(O)CSCCC1CC1 62a_100011219619_100000764125 [0,1,0,1,0,0|1,1,0]=4 28062 B11R1.237 OC[C@@H](O)CNCCC1CC1 2230a_100020644852_100000694398 [0,1,0,1,0,0|2,0,0]=4 28063 B11R1.237 OC[C@H](F)CNCCC1CC1 34a_100015665980_100000694398 [0,1,0,1,0,0|2,0,0]=4 28064 B11R1.237 OC[C@H](O)CNCCC1CC1 34a_100000764129_100009815848 [0,1,0,1,0,0|2,0,0]=4 28065 B11R1.237 OC[C@H](O)COCCC1CC1 34a_100000754188_100009815848 [0,1,0,1,0,0|1,0,0]=3 28066 B11R1.237 OC[C@H](O)COCCC1CC1 7a_100000754188_100009815848 [0,1,0,1,0,0|1,0,0]=3 28067 B11R1.237 OC[C@H](O)COCC[C@@H]1CO1 34a_100009820653_100009815848 [0,1,0,1,0,0|2,0,0]=4 28068 B11R1.237 OC[C@H](O)CSCCC1CC1 62a_100000764125_100009815848 [0,1,0,1,0,0|1,1,0]=4 28069 B11R1.237 OC[C@H](O)CSCCC1CC1 62a_100009815848_100000764125 [0,1,0,1,0,0|1,1,0]=4 28070 B11R1.237 O[C@@H](CF)CNCCC1CC1 34a_100000764129_100015614560 [0,1,0,1,0,0|2,0,0]=4 28071 B11R1.237 O[C@@H](CF)COCCC1CC1 34a_100000754188_100015614560 [0,1,0,1,0,0|1,0,0]=3 28072 B11R1.237 O[C@@H](CF)COCCC1CC1 7a_100000754188_100015614560 [0,1,0,1,0,0|1,0,0]=3 28073 B11R1.237 O[C@@H](CF)COCC[C@@H]1CO1 34a_100009820653_100015614560 [0,1,0,1,0,0|2,0,0]=4 28074 B11R1.237 O[C@@H](CF)CSCCC1CC1 62a_100000764125_100015614560 [0,1,0,1,0,0|1,1,0]=4 28075 B11R1.237 O[C@@H](CF)CSCCC1CC1 62a_100015614560_100000764125 [0,1,0,1,0,0|1,1,0]=4 28076 B11R1.320 C#CCCCOCC1(CC1)C 7a_100000698024_100011215417 [0,1,0,1,0,0|0,0,2]=4 28077 B11R1.320 C#CCCCOCC1(CC1)F 34a_200000703853_100000695029 [0,1,0,1,0,0|0,0,2]=4 28078 B11R1.320 C#CCCCOCC1(CC1)F 7a_200000703853_100011215417 [0,1,0,1,0,0|0,0,2]=4 28079 B11R1.320 C=CCCCOCC1(CC1)C 7a_100000698024_100000757094 [0,1,0,1,0,0|0,0,2]=4 28080 B11R1.320 C=CCCCOCC1(CC1)F 34a_200000703853_100000757094 [0,1,0,1,0,0|0,0,2]=4 28081 B11R1.320 C=CCCCOCC1(CC1)F 7a_200000703853_100000757094 [0,1,0,1,0,0|0,0,2]=4 28082 B11R1.320 CC/C=C\COCC1(CC1)C 7a_100000698024_100103147603 [0,1,0,1,0,0|0,0,2]=4 28083 B11R1.320 CC/C=C\COCC1(CC1)F 34a_200000703853_100103147603 [0,1,0,1,0,0|0,0,2]=4 28084 B11R1.320 CC/C=C\COCC1(CC1)F 7a_200000703853_100103147603 [0,1,0,1,0,0|0,0,2]=4 28085 B11R1.320 CC1(CC1)CNCCCCF 2230a_100000766693_100000729493 [0,1,0,1,0,0|2,0,0]=4 28086 B11R1.320 CC1(CC1)CNCCCCO 2230a_100000766693_100000210776 [0,1,0,1,0,0|2,0,0]=4 28087 B11R1.320 CC1(CC1)COCCCC#N 7a_100000698024_100000687738 [0,1,0,1,0,0|1,0,1]=4 28088 B11R1.320 CC1(CC1)COCCCC=O 7a_100000698024_200011292268 [0,1,0,1,0,0|1,0,1]=4 28089 B11R1.320 CC1(CC1)COCCCCF 7a_100000698024_100000729493 [0,1,0,1,0,0|1,0,0]=3 28090 B11R1.320 CC1(CC1)COCCCCO 7a_100000698024_100000210776 [0,1,0,1,0,0|1,0,0]=3 28091 B11R1.320 CC1(CO1)COCCCCBr 34a_100011216708_100000760498 [0,1,0,1,0,0|2,0,0]=4 28092 B11R1.320 CC1(CO1)COCCCCCl 34a_100000210776_100000760498 [0,1,0,1,0,0|2,0,0]=4 28093 B11R1.320 CC1(CO1)COCCCCF 34a_100011995726_100000760498 [0,1,0,1,0,0|2,0,0]=4 28094 B11R1.320 CC1(CO1)COCCCCI 34a_200012148704_100000760498 [0,1,0,1,0,0|2,0,0]=4 28095 B11R1.320 CC1(CO1)COCCCCN 34a_100000750430_100000760498 [0,1,0,1,0,0|2,0,0]=4 28096 B11R1.320 CCC#CCOCC1(CC1)C 7a_100000698024_100009813939 [0,1,0,1,0,0|0,0,2]=4 28097 B11R1.320 CCC#CCOCC1(CC1)F 34a_200000703853_100009813939 [0,1,0,1,0,0|0,0,2]=4 28098 B11R1.320 CCC#CCOCC1(CC1)F 7a_200000703853_100009813939 [0,1,0,1,0,0|0,0,2]=4 28099 B11R1.320 CCCCCCNC1(CC1)C 2230a_100000757604_100000210314 [0,1,0,1,0,0|2,0,0]=4 28100 B11R1.320 CCCCCCOC1(CC1)C 7a_100011725673_100000210314 [0,1,0,1,0,0|2,0,0]=4 28101 B11R1.320 CCCCCNCC1(CC1)C 2230a_100000766693_100000210326 [0,1,0,1,0,0|1,0,0]=3 28102 B11R1.320 CCCCCNCC1(CC1)O 2230a_100011936951_100000210326 [0,1,0,1,0,0|1,0,0]=3 28103 B11R1.320 CCCCCOCC1(CC1)C 7a_100000698024_100000210326 [0,1,0,1,0,0|0,0,0]=2 28104 B11R1.320 CCCCCOCC1(CC1)F 34a_200000703853_100000718602 [0,1,0,1,0,0|0,0,0]=2 28105 B11R1.320 CCCCCOCC1(CC1)F 7a_200000703853_100000210326 [0,1,0,1,0,0|0,0,0]=2 28106 B11R1.320 CCCCCOCC1(CO1)C 34a_100000210253_100000760498 [0,1,0,1,0,0|1,0,0]=3 28107 B11R1.320 CCCCCSCC1(CO1)C 62a_100000210326_100000760498 [0,1,0,1,0,0|1,1,0]=4 28108 B11R1.320 CCCCCSCC1(CO1)C 62a_100000760498_100000210326 [0,1,0,1,0,0|1,1,0]=4 28109 B11R1.320 CCCCOCCC1(N=N1)C 34a_100009880064_100000210210 [0,1,0,1,0,0|2,0,0]=4 28110 B11R1.320 CCCCOCNC1(CC1)C 2230a_100000757604_100011995733 [0,1,0,1,0,0|1,0,0]=3 28111 B11R1.320 CCOCCNCC1(CC1)C 2230a_100000766693_100011215890 [0,1,0,1,0,0|2,0,0]=4 28112 B11R1.320 CCOCCNCC1(CC1)O 2230a_100011936951_100011215890 [0,1,0,1,0,0|2,0,0]=4 28113 B11R1.320 CCOCCOCC1(CC1)C 7a_100000698024_100011215890 [0,1,0,1,0,0|1,0,0]=3 28114 B11R1.320 CCOCCOCC1(CC1)F 34a_200000703853_100000210147 [0,1,0,1,0,0|1,0,0]=3 28115 B11R1.320 CCOCCOCC1(CC1)F 7a_200000703853_100011215890 [0,1,0,1,0,0|1,0,0]=3 28116 B11R1.320 CCOCCOCC1(CO1)C 34a_100000210136_100000760498 [0,1,0,1,0,0|2,0,0]=4 28117 B11R1.320 CCSCCNCC1(CC1)C 2230a_100000766693_100000757381 [0,1,0,1,0,0|2,0,0]=4 28118 B11R1.320 CCSCCNCC1(CC1)O 2230a_100011936951_100000757381 [0,1,0,1,0,0|2,0,0]=4 28119 B11R1.320 CCSCCOCC1(CC1)C 7a_100000698024_100000757381 [0,1,0,1,0,0|1,0,0]=3 28120 B11R1.320 CCSCCOCC1(CC1)F 34a_200000703853_100000757381 [0,1,0,1,0,0|1,0,0]=3 28121 B11R1.320 CCSCCOCC1(CC1)F 7a_200000703853_100000757381 [0,1,0,1,0,0|1,0,0]=3 28122 B11R1.320 CCSCCOCC1(CO1)C 34a_100000212035_100000760498 [0,1,0,1,0,0|2,0,0]=4 28123 B11R1.320 CNCCCOCC1(CO1)C 34a_100000213112_100000760498 [0,1,0,1,0,0|2,0,0]=4 28124 B11R1.320 COCCCNCC1(CC1)C 2230a_100000766693_100000740836 [0,1,0,1,0,0|2,0,0]=4 28125 B11R1.320 COCCCNCC1(CC1)O 2230a_100011936951_100000740836 [0,1,0,1,0,0|2,0,0]=4 28126 B11R1.320 COCCCOCC1(CC1)C 7a_100000698024_100000740836 [0,1,0,1,0,0|1,0,0]=3 28127 B11R1.320 COCCCOCC1(CC1)F 34a_200000703853_100000740836 [0,1,0,1,0,0|1,0,0]=3 28128 B11R1.320 COCCCOCC1(CC1)F 7a_200000703853_100000740836 [0,1,0,1,0,0|1,0,0]=3 28129 B11R1.320 COCCCOCC1(CO1)C 34a_100000740835_100000760498 [0,1,0,1,0,0|2,0,0]=4 28130 B11R1.320 COCCOCNC1(CC1)C 2230a_100000757604_100000231047 [0,1,0,1,0,0|2,0,0]=4 28131 B11R1.320 CSCCCOCC1(CO1)C 34a_100000690336_100000760498 [0,1,0,1,0,0|2,0,0]=4 28132 B11R1.320 FCCCCOCC1(CC1)F 34a_200000703853_100000729493 [0,1,0,1,0,0|1,0,0]=3 28133 B11R1.320 FCCCCOCC1(CC1)F 7a_200000703853_100000729493 [0,1,0,1,0,0|1,0,0]=3 28134 B11R1.320 N#CCCCOCC1(CC1)F 7a_200000703853_100000687738 [0,1,0,1,0,0|1,0,1]=4 28135 B11R1.320 O=CCCCOCC1(CC1)F 7a_200000703853_200011292268 [0,1,0,1,0,0|1,0,1]=4 28136 B11R1.320 OC1(CC1)CNCCCCF 2230a_100011936951_100000729493 [0,1,0,1,0,0|2,0,0]=4 28137 B11R1.320 OCCCCNCC1(CC1)O 2230a_100011936951_100000210776 [0,1,0,1,0,0|2,0,0]=4 28138 B11R1.320 OCCCCOCC1(CC1)F 34a_200000703853_100011216708 [0,1,0,1,0,0|1,0,0]=3 28139 B11R1.320 OCCCCOCC1(CC1)F 7a_200000703853_100000210776 [0,1,0,1,0,0|1,0,0]=3 28140 B11R1.383 CCN1CCOCC(C1)CO 2230a_100103147999_100000210202 [0,1,0,1,0,0|2,0,0]=4 28141 B11R1.383 CCN1CCOCC(C1)CO 269982a_100103147999_100000204670 [0,1,0,1,0,0|2,0,0]=4 28142 B11R1.383 CCN1CCOCC(C1)CO 34a_100103147999_100000210202 [0,1,0,1,0,0|2,0,0]=4 28143 B11R1.757 CCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210326 [0,1,0,1,0,0|1,0,0]=3 28144 B11R1.757 CCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210215 [0,1,0,1,0,0|1,0,0]=3 28145 B11R1.757 CCOCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011215890 [0,1,0,1,0,0|2,0,0]=4 28146 B11R1.757 CCOCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011215890 [0,1,0,1,0,0|2,0,0]=4 28147 B11R1.757 CCSCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000757381 [0,1,0,1,0,0|2,0,0]=4 28148 B11R1.757 CCSCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000757381 [0,1,0,1,0,0|2,0,0]=4 28149 B11R1.757 COCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000740836 [0,1,0,1,0,0|2,0,0]=4 28150 B11R1.757 COCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000740836 [0,1,0,1,0,0|2,0,0]=4 28151 B11R1.757 C[C@H]1[C@H](CN1CCCCF)O 2230a_206633788156_100000729493 [0,1,0,1,0,0|2,0,0]=4 28152 B11R1.757 C[C@H]1[C@H](CN1CCCCF)O 269982a_206633788156_100000729493 [0,1,0,1,0,0|2,0,0]=4 28153 B11R1.757 C[C@H]1[C@H](CN1CCCCO)O 2230a_206633788156_100000210776 [0,1,0,1,0,0|2,0,0]=4 28154 B11R1.757 C[C@H]1[C@H](CN1CCCCO)O 269982a_206633788156_100000210776 [0,1,0,1,0,0|2,0,0]=4 28155 B11R1.759 CCC1CN(C1)CCCCF 2230a_100015205115_100000729493 [0,1,0,1,0,0|2,0,0]=4 28156 B11R1.759 CCC1CN(C1)CCCCF 269982a_100015205115_100000729493 [0,1,0,1,0,0|2,0,0]=4 28157 B11R1.759 CCC1CN(C1)CCCCO 2230a_100015205115_100000210776 [0,1,0,1,0,0|2,0,0]=4 28158 B11R1.759 CCC1CN(C1)CCCCO 269982a_100015205115_100000210776 [0,1,0,1,0,0|2,0,0]=4 28159 B11R1.759 CCC1CN(C1)CCCOC 2230a_100015205115_100000740836 [0,1,0,1,0,0|2,0,0]=4 28160 B11R1.759 CCC1CN(C1)CCCOC 269982a_100015205115_100000740836 [0,1,0,1,0,0|2,0,0]=4 28161 B11R1.759 CCCCCN1CC(C1)CC 2230a_100015205115_100000210326 [0,1,0,1,0,0|1,0,0]=3 28162 B11R1.759 CCCCCN1CC(C1)CC 269982a_100015205115_100000210215 [0,1,0,1,0,0|1,0,0]=3 28163 B11R1.759 CCCCCN1CC(C1)CF 269982a_100010363649_100000210215 [0,1,0,1,0,0|2,0,0]=4 28164 B11R1.759 CCCCCN1CC(C1)CF 34a_100010363649_100000718602 [0,1,0,1,0,0|2,0,0]=4 28165 B11R1.759 CCCCCN1CC(C1)CO 269982a_100016987283_100000210215 [0,1,0,1,0,0|2,0,0]=4 28166 B11R1.759 CCCCCN1CC(C1)CO 34a_100016987283_100000718602 [0,1,0,1,0,0|2,0,0]=4 28167 B11R1.759 CCCCCN1CC(C1)OC 269982a_100000755009_100000210215 [0,1,0,1,0,0|2,0,0]=4 28168 B11R1.759 CCCCCN1CC(C1)SC 269982a_100016990038_100000210215 [0,1,0,1,0,0|2,0,0]=4 28169 B11R1.759 CCCCNC1CC(C1)CO 270004a_100000102301_100000101936 [0,1,0,1,0,0|2,0,0]=4 28170 B11R1.759 CCCCNC1CN(C1)CC 2230a_200015199589_100000210211 [0,1,0,1,0,0|2,0,0]=4 28171 B11R1.759 CCCCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000210211 [0,1,0,1,0,0|2,0,0]=4 28172 B11R1.759 CCCCSC1CC(C1)CO 62a_100000210211_100009874164 [0,1,0,1,0,0|1,1,0]=4 28173 B11R1.759 CCCCSC1CC(C1)CO 62a_100009874164_100000210210 [0,1,0,1,0,0|1,1,0]=4 28174 B11R1.759 CCOCCN1CC(C1)CC 2230a_100015205115_100011215890 [0,1,0,1,0,0|2,0,0]=4 28175 B11R1.759 CCOCCN1CC(C1)CC 269982a_100015205115_100011215890 [0,1,0,1,0,0|2,0,0]=4 28176 B11R1.759 CCSCCN1CC(C1)CC 2230a_100015205115_100000757381 [0,1,0,1,0,0|2,0,0]=4 28177 B11R1.759 CCSCCN1CC(C1)CC 269982a_100015205115_100000757381 [0,1,0,1,0,0|2,0,0]=4 28178 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [0,1,0,1,0,0|1,0,1]=4 28179 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [0,1,0,1,0,0|1,0,1]=4 28180 B11R1.852 CCC(C)N1CCCCCC1 2230a_100000185865_100000758301 [0,1,0,1,0,0|2,0,0]=4 28181 B11R1.852 CCC(C)N1CCCCCC1 269982a_100000185865_100000758301 [0,1,0,1,0,0|2,0,0]=4 28182 B11R1.852 CCC(C)N1CCCCCC1 34a_100000185865_100011215416 [0,1,0,1,0,0|2,0,0]=4 28183 B11R1.852 CCN(C)C1CCCCCC1 2230a_100015185097_100000210202 [0,1,0,1,0,0|2,0,0]=4 28184 B11R1.852 CCN(C)C1CCCCCC1 2230a_114901603759_200000210301 [0,1,0,1,0,0|2,0,0]=4 28185 B11R1.852 CCN(C)C1CCCCCC1 269982a_100000225621_100011217769 [0,1,0,1,0,0|2,0,0]=4 28186 B11R1.852 CCN(C)C1CCCCCC1 269982a_100015185097_100000204670 [0,1,0,1,0,0|2,0,0]=4 28187 B11R1.852 CCN(C)C1CCCCCC1 269982a_114901603759_200000210301 [0,1,0,1,0,0|2,0,0]=4 28188 B11R1.852 CCN(C)C1CCCCCC1 34a_100015185097_100000210202 [0,1,0,1,0,0|2,0,0]=4 28189 B11R1.852 CCN(C)C1CCCCCC1 34a_114901603759_200000210301 [0,1,0,1,0,0|2,0,0]=4 28190 B11R1.852 CCN([13CH3])C1CCCCCC1 2230a_114901603759_200025704644 [0,1,0,1,0,0|2,0,0]=4 28191 B11R1.852 CCN([13CH3])C1CCCCCC1 269982a_114901603759_200025704644 [0,1,0,1,0,0|2,0,0]=4 28192 B11R1.852 CCN([13CH3])C1CCCCCC1 34a_114901603759_200025704644 [0,1,0,1,0,0|2,0,0]=4 28193 B11R1.29 CC(CCO[13CH3])N1CCCC1 34a_100011935070_200025704644 [0,1,0,1,0,0|2,0,0]=4 28194 B11R1.29 CC(CCO[13CH3])N1CCCC1 7a_100011935070_200025704644 [0,1,0,1,0,0|2,0,0]=4 28195 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210183_100000179811 [0,1,0,1,0,0|1,0,0]=3 28196 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210718_100000210211 [0,1,0,1,0,0|1,0,0]=3 28197 B11R1.29 CCCCC(=O)C1CCCS1 1458a_100012002731_100000210211 [0,1,0,1,0,0|2,0,0]=4 28198 B11R1.29 CCCCC(=O)C1CCOC1 1458a_100000210183_100000690089 [0,1,0,1,0,0|2,0,0]=4 28199 B11R1.29 CCCCC(=O)C1CCOC1 1458a_100011219752_100000210211 [0,1,0,1,0,0|2,0,0]=4 28200 B11R1.29 CCCCC(=O)N1CCCC1 240690a_100000188435_100000210183 [0,1,0,1,0,0|1,0,1]=4 28201 B11R1.29 CCCCC(=O)N1CCCC1 527a_100000188435_100000210183 [0,1,0,1,0,0|1,0,1]=4 28202 B11R1.29 CCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210211 [0,1,0,1,0,0|2,0,0]=4 28203 B11R1.29 CCCCC(C)N1CCCC1 2230a_100000188435_200011215066 [0,1,0,1,0,0|1,0,0]=3 28204 B11R1.29 CCCCC(C)N1CCCC1 269982a_100000188435_200011215066 [0,1,0,1,0,0|1,0,0]=3 28205 B11R1.29 CCCCC(C)N1CCCC1 270004a_100000188435_100000210087 [0,1,0,1,0,0|1,0,0]=3 28206 B11R1.29 CCCCC(C)N1CCSC1 2230a_100011215254_200011215066 [0,1,0,1,0,0|2,0,0]=4 28207 B11R1.29 CCCCC(C)N1CCSC1 269982a_100011215254_200011215066 [0,1,0,1,0,0|2,0,0]=4 28208 B11R1.29 CCCCC(C)N1CCSC1 270004a_100011215254_100000210087 [0,1,0,1,0,0|2,0,0]=4 28209 B11R1.29 CCCCN(C)C1CCCC1 2230a_100000207505_100000210211 [0,1,0,1,0,0|1,0,0]=3 28210 B11R1.29 CCCCN(C)C1CCCC1 2230a_100000207549_100000179811 [0,1,0,1,0,0|1,0,0]=3 28211 B11R1.29 CCCCN(C)C1CCCC1 2230a_100015187791_200000210301 [0,1,0,1,0,0|1,0,0]=3 28212 B11R1.29 CCCCN(C)C1CCCC1 269982a_100000207505_100000210211 [0,1,0,1,0,0|1,0,0]=3 28213 B11R1.29 CCCCN(C)C1CCCC1 269982a_100000207549_100000179811 [0,1,0,1,0,0|1,0,0]=3 28214 B11R1.29 CCCCN(C)C1CCCC1 269982a_100015187791_200000210301 [0,1,0,1,0,0|1,0,0]=3 28215 B11R1.29 CCCCN(C)C1CCCC1 270004a_100000207549_100000210133 [0,1,0,1,0,0|1,0,0]=3 28216 B11R1.29 CCCCN(C)C1CCCC1 34a_100000207505_100000210210 [0,1,0,1,0,0|1,0,0]=3 28217 B11R1.29 CCCCN(C)C1CCCC1 34a_100015187791_200000210301 [0,1,0,1,0,0|1,0,0]=3 28218 B11R1.29 CCCCN(C)C1CCOC1 2230a_100000207549_100000731011 [0,1,0,1,0,0|2,0,0]=4 28219 B11R1.29 CCCCN(C)C1CCOC1 2230a_100016988252_100000210211 [0,1,0,1,0,0|2,0,0]=4 28220 B11R1.29 CCCCN(C)C1CCOC1 269982a_100000207549_100000731011 [0,1,0,1,0,0|2,0,0]=4 28221 B11R1.29 CCCCN(C)C1CCOC1 269982a_100016988252_100000210211 [0,1,0,1,0,0|2,0,0]=4 28222 B11R1.29 CCCCN(C)C1CCOC1 270004a_100000207549_100000752484 [0,1,0,1,0,0|2,0,0]=4 28223 B11R1.29 CCCCN(C)C1CCOC1 34a_100016988252_100000210210 [0,1,0,1,0,0|2,0,0]=4 28224 B11R1.29 CCCCN(C)C1CCSC1 270004a_100000207549_100000212027 [0,1,0,1,0,0|2,0,0]=4 28225 B11R1.29 CCCCN([13CH3])C1CCCC1 2230a_100015187791_200025704644 [0,1,0,1,0,0|1,0,0]=3 28226 B11R1.29 CCCCN([13CH3])C1CCCC1 269982a_100015187791_200025704644 [0,1,0,1,0,0|1,0,0]=3 28227 B11R1.29 CCCCN([13CH3])C1CCCC1 34a_100015187791_200025704644 [0,1,0,1,0,0|1,0,0]=3 28228 B11R1.29 CCCNC(=O)C1CCCC1 11a_100020643023_100000210718 [0,1,0,1,0,0|2,0,0]=4 28229 B11R1.29 CCCNC(=O)C1CCCC1 1626a_100020643023_100000210718 [0,1,0,1,0,0|2,0,0]=4 28230 B11R1.29 CCCNC(=O)C1CCCC1 240690a_100020643023_100000210718 [0,1,0,1,0,0|2,0,0]=4 28231 B11R1.29 CCCNC(=O)C1CCCC1 527a_100020643023_100000210718 [0,1,0,1,0,0|2,0,0]=4 28232 B11R1.29 CCCNC(C)C1CCCC1 2230a_100015185923_100000210303 [0,1,0,1,0,0|2,0,0]=4 28233 B11R1.29 CCCNC(C)C1CCCC1 269862a_100020643023_100000749594 [0,1,0,1,0,0|2,0,0]=4 28234 B11R1.29 CCCNC(C)C1CCCC1 270004a_100020643023_100000749594 [0,1,0,1,0,0|2,0,0]=4 28235 B11R1.29 CCCNC(C)C1CCCC1 34a_100015185923_100000210303 [0,1,0,1,0,0|2,0,0]=4 28236 B11R1.29 CCCOC(C)C1CCCC1 34a_100011216366_100000210303 [0,1,0,1,0,0|2,0,0]=4 28237 B11R1.29 CCCOC(C)C1CCCC1 7a_100011216366_100000210303 [0,1,0,1,0,0|2,0,0]=4 28238 B11R1.29 CCOCC(=O)C1CCCC1 1458a_100000211967_100000179811 [0,1,0,1,0,0|2,0,0]=4 28239 B11R1.29 CCOCN(C)C1CCCC1 269982a_100000207505_100000739092 [0,1,0,1,0,0|2,0,0]=4 28240 B11R1.29 CCSCC(=O)C1CCCC1 1458a_100000230394_100000179811 [0,1,0,1,0,0|2,0,0]=4 28241 B11R1.29 CCSCC(C)N1CCCC1 270004a_100000188435_200011216171 [0,1,0,1,0,0|2,0,0]=4 28242 B11R1.29 CCSCC(C)N1CCCC1 62a_100000210202_200015187269 [0,1,0,1,0,0|2,0,0]=4 28243 B11R1.29 CCSCC(C)N1CCCC1 62a_200015187269_100000210202 [0,1,0,1,0,0|2,0,0]=4 28244 B11R1.29 CN(CCCF)C1CCCC1 2230a_100000207505_100011934791 [0,1,0,1,0,0|2,0,0]=4 28245 B11R1.29 CN(CCCF)C1CCCC1 269982a_100000207505_100011934791 [0,1,0,1,0,0|2,0,0]=4 28246 B11R1.29 CN(CCCF)C1CCCC1 34a_100000207505_100011934791 [0,1,0,1,0,0|2,0,0]=4 28247 B11R1.29 CN(CCCO)C1CCCC1 2230a_100000207505_100000230001 [0,1,0,1,0,0|2,0,0]=4 28248 B11R1.29 CN(CCCO)C1CCCC1 2230a_100000213112_100000179811 [0,1,0,1,0,0|2,0,0]=4 28249 B11R1.29 CN(CCCO)C1CCCC1 269982a_100000207505_100011215043 [0,1,0,1,0,0|2,0,0]=4 28250 B11R1.29 CN(CCCO)C1CCCC1 269982a_100000213112_100000179811 [0,1,0,1,0,0|2,0,0]=4 28251 B11R1.29 CN(CCCO)C1CCCC1 270004a_100000213112_100000210133 [0,1,0,1,0,0|2,0,0]=4 28252 B11R1.29 CN(CCCO)C1CCCC1 34a_100000207505_100000230001 [0,1,0,1,0,0|2,0,0]=4 28253 B11R1.29 COCCC(=O)C1CCCC1 1458a_100000210718_100000233755 [0,1,0,1,0,0|2,0,0]=4 28254 B11R1.29 COCCC(=O)C1CCCC1 1458a_100000749529_100000179811 [0,1,0,1,0,0|2,0,0]=4 28255 B11R1.29 COCCC(C)N1CCCC1 270004a_100000188435_100000742357 [0,1,0,1,0,0|2,0,0]=4 28256 B11R1.29 COCCC(C)N1CCCC1 34a_100011935070_200000210301 [0,1,0,1,0,0|2,0,0]=4 28257 B11R1.29 COCCC(C)N1CCCC1 7a_100011935070_200000210301 [0,1,0,1,0,0|2,0,0]=4 28258 B11R1.29 COCCN(C)C1CCCC1 2230a_100000207505_100011201679 [0,1,0,1,0,0|2,0,0]=4 28259 B11R1.29 COCCN(C)C1CCCC1 2230a_100000743101_100000179811 [0,1,0,1,0,0|2,0,0]=4 28260 B11R1.29 COCCN(C)C1CCCC1 2230a_100000748032_200000210301 [0,1,0,1,0,0|2,0,0]=4 28261 B11R1.29 COCCN(C)C1CCCC1 269982a_100000207505_100000233755 [0,1,0,1,0,0|2,0,0]=4 28262 B11R1.29 COCCN(C)C1CCCC1 269982a_100000743101_100000179811 [0,1,0,1,0,0|2,0,0]=4 28263 B11R1.29 COCCN(C)C1CCCC1 269982a_100000748032_200000210301 [0,1,0,1,0,0|2,0,0]=4 28264 B11R1.29 COCCN(C)C1CCCC1 270004a_100000743101_100000210133 [0,1,0,1,0,0|2,0,0]=4 28265 B11R1.29 COCCN(C)C1CCCC1 34a_100000207505_100011201679 [0,1,0,1,0,0|2,0,0]=4 28266 B11R1.29 COCCN(C)C1CCCC1 34a_100000748032_200000210301 [0,1,0,1,0,0|2,0,0]=4 28267 B11R1.29 COCCN([13CH3])C1CCCC1 2230a_100000748032_200025704644 [0,1,0,1,0,0|2,0,0]=4 28268 B11R1.29 COCCN([13CH3])C1CCCC1 269982a_100000748032_200025704644 [0,1,0,1,0,0|2,0,0]=4 28269 B11R1.29 COCCN([13CH3])C1CCCC1 34a_100000748032_200025704644 [0,1,0,1,0,0|2,0,0]=4 28270 B11R1.29 CSCCC(=O)C1CCCC1 1458a_100000174002_100000179811 [0,1,0,1,0,0|2,0,0]=4 28271 B11R1.29 CSCCC(=O)C1CCCC1 1458a_100000210718_100000751147 [0,1,0,1,0,0|2,0,0]=4 28272 B11R1.29 CSCCC(C)N1CCCC1 270004a_100000188435_100011217047 [0,1,0,1,0,0|2,0,0]=4 28273 B11R1.29 CSCCN(C)C1CCCC1 2230a_100000207505_100000751147 [0,1,0,1,0,0|2,0,0]=4 28274 B11R1.29 CSCCN(C)C1CCCC1 2230a_100000686725_100000179811 [0,1,0,1,0,0|2,0,0]=4 28275 B11R1.29 CSCCN(C)C1CCCC1 269982a_100000207505_100000212216 [0,1,0,1,0,0|2,0,0]=4 28276 B11R1.29 CSCCN(C)C1CCCC1 269982a_100000686725_100000179811 [0,1,0,1,0,0|2,0,0]=4 28277 B11R1.29 CSCCN(C)C1CCCC1 270004a_100000686725_100000210133 [0,1,0,1,0,0|2,0,0]=4 28278 B11R1.29 CSCCN(C)C1CCCC1 34a_100000207505_100000212216 [0,1,0,1,0,0|2,0,0]=4 28279 B11R1.29 O=C(CCCF)C1CCCC1 1458a_100000210718_100011934791 [0,1,0,1,0,0|2,0,0]=4 28280 B11R1.29 O=C(CCCO)C1CCCC1 1458a_100000210718_100011215043 [0,1,0,1,0,0|2,0,0]=4 28281 B11R1.37 CCC1CN(CCN1CC)C 2230a_100011941019_100000210202 [0,1,0,1,0,0|2,0,0]=4 28282 B11R1.37 CCC1CN(CCN1CC)C 269982a_100011941019_100000204670 [0,1,0,1,0,0|2,0,0]=4 28283 B11R1.182 CCNC1CC(CCC1C)C 269862a_100015525214_100000034887 [0,1,0,1,0,0|2,0,0]=4 28284 B11R1.182 CCNC1CC(CCC1C)C 270004a_100015525214_100000034887 [0,1,0,1,0,0|2,0,0]=4 28285 B11R1.182 CCOC1CC(CCC1C)C 34a_100011217446_100000210202 [0,1,0,1,0,0|2,0,0]=4 28286 B11R1.182 CCOC1CC(CCC1C)C 7a_100011217446_100000210202 [0,1,0,1,0,0|2,0,0]=4 28287 B11R1.282 CCC1CC1C(=O)CCCF 1458a_200011661523_100011934791 [0,1,0,1,0,0|2,0,0]=4 28288 B11R1.282 CCC1CC1C(=O)CCCO 1458a_200011661523_100011215043 [0,1,0,1,0,0|2,0,0]=4 28289 B11R1.282 CCC1CC1C(=O)CCOC 1458a_200011661523_100000233755 [0,1,0,1,0,0|2,0,0]=4 28290 B11R1.282 CCC1CC1C(=O)CCSC 1458a_200011661523_100000751147 [0,1,0,1,0,0|2,0,0]=4 28291 B11R1.282 CCCCC(=O)C1CC1CC 1458a_200011661523_100000210211 [0,1,0,1,0,0|1,0,0]=3 28292 B11R1.282 CCCNC(=O)C1CC1CC 11a_100020643023_200011661523 [0,1,0,1,0,0|2,0,0]=4 28293 B11R1.282 CCCNC(=O)C1CC1CC 1626a_100020643023_200011661523 [0,1,0,1,0,0|2,0,0]=4 28294 B11R1.282 CCCNC(=O)C1CC1CC 240690a_100020643023_200011661523 [0,1,0,1,0,0|2,0,0]=4 28295 B11R1.282 CCCNC(=O)C1CC1CC 527a_100020643023_200011661523 [0,1,0,1,0,0|2,0,0]=4 28296 B11R1.283 CCCCC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_200011215066 [0,1,0,1,0,0|2,0,0]=4 28297 B11R1.283 CCCCC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_200011215066 [0,1,0,1,0,0|2,0,0]=4 28298 B11R1.283 CCCCC(C)N[C@@H]1C[C@H]1F 34a_100025746932_200011215066 [0,1,0,1,0,0|2,0,0]=4 28299 B11R1.284 C=CCCC(C)OC1CCC1 34a_100000765329_100000749161 [0,1,0,1,0,0|0,0,2]=4 28300 B11R1.284 CC(CCCCl)OC1CCC1 34a_200000718107_100000749161 [0,1,0,1,0,0|1,0,0]=3 28301 B11R1.284 CC(CCCCl)OC1COC1 34a_200000718107_100009818527 [0,1,0,1,0,0|2,0,0]=4 28302 B11R1.284 CC(CCCCl)OC1COC1 7a_200000718107_100009818527 [0,1,0,1,0,0|2,0,0]=4 28303 B11R1.284 CCC#CC(C)OC1CCC1 34a_100000033903_100000749161 [0,1,0,1,0,0|0,0,2]=4 28304 B11R1.284 CCCCC(=O)CC1CCC1 1458a_100000210183_100000763275 [0,1,0,1,0,0|1,0,0]=3 28305 B11R1.284 CCCCC(=O)CC1CCC1 1458a_100000763092_100000210211 [0,1,0,1,0,0|1,0,0]=3 28306 B11R1.284 CCCCC(=O)CC1CCO1 1458a_100000210183_100000103362 [0,1,0,1,0,0|2,0,0]=4 28307 B11R1.284 CCCCC(=O)CC1COC1 1458a_100000210183_100010264016 [0,1,0,1,0,0|2,0,0]=4 28308 B11R1.284 CCCCC(=O)CC1COC1 1458a_100000687760_100000210211 [0,1,0,1,0,0|2,0,0]=4 28309 B11R1.284 CCCCC(=O)NC1CCC1 11a_100000749019_100000210183 [0,1,0,1,0,0|1,0,1]=4 28310 B11R1.284 CCCCC(=O)NC1CCC1 1626a_100000749019_100000210183 [0,1,0,1,0,0|1,0,1]=4 28311 B11R1.284 CCCCC(=O)NC1CCC1 240690a_100000749019_100000210183 [0,1,0,1,0,0|1,0,1]=4 28312 B11R1.284 CCCCC(=O)NC1CCC1 527a_100000749019_100000210183 [0,1,0,1,0,0|1,0,1]=4 28313 B11R1.284 CCCCC(C)NC1CCC1 2230a_100000749019_200011215066 [0,1,0,1,0,0|1,0,0]=3 28314 B11R1.284 CCCCC(C)NC1CCC1 270004a_100000126638_100000241760 [0,1,0,1,0,0|1,0,0]=3 28315 B11R1.284 CCCCC(C)NC1CCC1 34a_100000749019_200011215066 [0,1,0,1,0,0|1,0,0]=3 28316 B11R1.284 CCCCC(C)NC1COC1 2230a_100016991112_200011215066 [0,1,0,1,0,0|2,0,0]=4 28317 B11R1.284 CCCCC(C)NC1COC1 270004a_100016991112_100000210087 [0,1,0,1,0,0|2,0,0]=4 28318 B11R1.284 CCCCC(C)NC1CSC1 270004a_100016994217_100000210087 [0,1,0,1,0,0|2,0,0]=4 28319 B11R1.284 CCCCC(C)OC1CCC1 34a_100000687866_100000749161 [0,1,0,1,0,0|0,0,0]=2 28320 B11R1.284 CCCCC(C)OC1CCC1 34a_100000748187_200011215066 [0,1,0,1,0,0|0,0,0]=2 28321 B11R1.284 CCCCC(C)OC1COC1 34a_100000687866_100009818527 [0,1,0,1,0,0|1,0,0]=3 28322 B11R1.284 CCCCC(C)OC1COC1 7a_100000687866_100009818527 [0,1,0,1,0,0|1,0,0]=3 28323 B11R1.284 CCCCC(C)OC1CSC1 7a_100000072292_200011215066 [0,1,0,1,0,0|1,0,0]=3 28324 B11R1.284 CCCCC(C)SC1CCC1 62a_200011215066_100000749161 [0,1,0,1,0,0|0,1,0]=3 28325 B11R1.284 CCCCC(C)SC1COC1 62a_200011215066_100009818527 [0,1,0,1,0,0|1,1,0]=4 28326 B11R1.284 CCCCN(C)CC1CCC1 2230a_100000207549_100000763275 [0,1,0,1,0,0|1,0,0]=3 28327 B11R1.284 CCCCN(C)CC1CCC1 2230a_200000750244_100000210211 [0,1,0,1,0,0|1,0,0]=3 28328 B11R1.284 CCCCN(C)CC1CCC1 269982a_100000207549_100000763275 [0,1,0,1,0,0|1,0,0]=3 28329 B11R1.284 CCCCN(C)CC1CCC1 269982a_200000750244_100000210211 [0,1,0,1,0,0|1,0,0]=3 28330 B11R1.284 CCCCN(C)CC1CCC1 34a_200000750244_100000210210 [0,1,0,1,0,0|1,0,0]=3 28331 B11R1.284 CCCCN(C)CC1CCO1 2230a_100000207549_100000103362 [0,1,0,1,0,0|2,0,0]=4 28332 B11R1.284 CCCCN(C)CC1CCO1 269982a_100000207549_100000103362 [0,1,0,1,0,0|2,0,0]=4 28333 B11R1.284 CCCCN(C)CC1COC1 2230a_100000207549_100010264016 [0,1,0,1,0,0|2,0,0]=4 28334 B11R1.284 CCCCN(C)CC1COC1 269982a_100000207549_100010264016 [0,1,0,1,0,0|2,0,0]=4 28335 B11R1.284 CCCNC(=O)CC1CCC1 11a_100020643023_100000763092 [0,1,0,1,0,0|2,0,0]=4 28336 B11R1.284 CCCNC(=O)CC1CCC1 1626a_100020643023_100000763092 [0,1,0,1,0,0|2,0,0]=4 28337 B11R1.284 CCCNC(=O)CC1CCC1 240690a_100020643023_100000763092 [0,1,0,1,0,0|2,0,0]=4 28338 B11R1.284 CCCNC(=O)CC1CCC1 527a_100020643023_100000763092 [0,1,0,1,0,0|2,0,0]=4 28339 B11R1.284 CCOCC(=O)CC1CCC1 1458a_100000211967_100000763275 [0,1,0,1,0,0|2,0,0]=4 28340 B11R1.284 CCOCC(C)OC1CCC1 34a_100000718985_100000749161 [0,1,0,1,0,0|1,0,0]=3 28341 B11R1.284 CCOCC(C)OC1COC1 34a_100000718985_100009818527 [0,1,0,1,0,0|2,0,0]=4 28342 B11R1.284 CCOCC(C)OC1COC1 7a_100000718985_100009818527 [0,1,0,1,0,0|2,0,0]=4 28343 B11R1.284 CCOCN(C)CC1CCC1 269982a_200000750244_100000739092 [0,1,0,1,0,0|2,0,0]=4 28344 B11R1.284 CCSCC(=O)CC1CCC1 1458a_100000230394_100000763275 [0,1,0,1,0,0|2,0,0]=4 28345 B11R1.284 CN(CCCF)CC1CCC1 2230a_200000750244_100011934791 [0,1,0,1,0,0|2,0,0]=4 28346 B11R1.284 CN(CCCF)CC1CCC1 269982a_200000750244_100011934791 [0,1,0,1,0,0|2,0,0]=4 28347 B11R1.284 CN(CCCF)CC1CCC1 34a_200000750244_100011934791 [0,1,0,1,0,0|2,0,0]=4 28348 B11R1.284 CN(CCCO)CC1CCC1 2230a_100000213112_100000763275 [0,1,0,1,0,0|2,0,0]=4 28349 B11R1.284 CN(CCCO)CC1CCC1 2230a_200000750244_100000230001 [0,1,0,1,0,0|2,0,0]=4 28350 B11R1.284 CN(CCCO)CC1CCC1 269982a_100000213112_100000763275 [0,1,0,1,0,0|2,0,0]=4 28351 B11R1.284 CN(CCCO)CC1CCC1 269982a_200000750244_100011215043 [0,1,0,1,0,0|2,0,0]=4 28352 B11R1.284 CN(CCCO)CC1CCC1 34a_200000750244_100000230001 [0,1,0,1,0,0|2,0,0]=4 28353 B11R1.284 COCCC(=O)CC1CCC1 1458a_100000749529_100000763275 [0,1,0,1,0,0|2,0,0]=4 28354 B11R1.284 COCCC(=O)CC1CCC1 1458a_100000763092_100000233755 [0,1,0,1,0,0|2,0,0]=4 28355 B11R1.284 COCCN(C)CC1CCC1 2230a_100000743101_100000763275 [0,1,0,1,0,0|2,0,0]=4 28356 B11R1.284 COCCN(C)CC1CCC1 2230a_200000750244_100011201679 [0,1,0,1,0,0|2,0,0]=4 28357 B11R1.284 COCCN(C)CC1CCC1 269982a_100000743101_100000763275 [0,1,0,1,0,0|2,0,0]=4 28358 B11R1.284 COCCN(C)CC1CCC1 269982a_200000750244_100000233755 [0,1,0,1,0,0|2,0,0]=4 28359 B11R1.284 COCCN(C)CC1CCC1 34a_200000750244_100011201679 [0,1,0,1,0,0|2,0,0]=4 28360 B11R1.284 CSCCC(=O)CC1CCC1 1458a_100000174002_100000763275 [0,1,0,1,0,0|2,0,0]=4 28361 B11R1.284 CSCCC(=O)CC1CCC1 1458a_100000763092_100000751147 [0,1,0,1,0,0|2,0,0]=4 28362 B11R1.284 CSCCN(C)CC1CCC1 2230a_100000686725_100000763275 [0,1,0,1,0,0|2,0,0]=4 28363 B11R1.284 CSCCN(C)CC1CCC1 2230a_200000750244_100000751147 [0,1,0,1,0,0|2,0,0]=4 28364 B11R1.284 CSCCN(C)CC1CCC1 269982a_100000686725_100000763275 [0,1,0,1,0,0|2,0,0]=4 28365 B11R1.284 CSCCN(C)CC1CCC1 269982a_200000750244_100000212216 [0,1,0,1,0,0|2,0,0]=4 28366 B11R1.284 CSCCN(C)CC1CCC1 34a_200000750244_100000212216 [0,1,0,1,0,0|2,0,0]=4 28367 B11R1.284 O=C(CCCF)CC1CCC1 1458a_100000763092_100011934791 [0,1,0,1,0,0|2,0,0]=4 28368 B11R1.284 O=C(CCCO)CC1CCC1 1458a_100000763092_100011215043 [0,1,0,1,0,0|2,0,0]=4 28369 B11R1.285 C=CCCC(C)OCC1CC1 34a_100000765329_100000742324 [0,1,0,1,0,0|0,0,2]=4 28370 B11R1.285 C=CCCC(C)OCC1CC1 7a_100000765329_100000742324 [0,1,0,1,0,0|0,0,2]=4 28371 B11R1.285 CC(CCCCl)OCC1CC1 34a_200000718107_100000742324 [0,1,0,1,0,0|1,0,0]=3 28372 B11R1.285 CC(CCCCl)OCC1CC1 7a_200000718107_100000742324 [0,1,0,1,0,0|1,0,0]=3 28373 B11R1.285 CC(CCCCl)OCC1CO1 34a_200000718107_102125554688 [0,1,0,1,0,0|2,0,0]=4 28374 B11R1.285 CC(CCCCl)OCC1CO1 7a_200000718107_102125554688 [0,1,0,1,0,0|2,0,0]=4 28375 B11R1.285 CC(CCCCl)OCC1CS1 7a_200000718107_100000031435 [0,1,0,1,0,0|2,0,0]=4 28376 B11R1.285 CC(CCCCl)OC[C@@H]1CO1 7a_200000718107_100000745022 [0,1,0,1,0,0|2,0,0]=4 28377 B11R1.285 CCC#CC(C)OCC1CC1 34a_100000033903_100000742324 [0,1,0,1,0,0|0,0,2]=4 28378 B11R1.285 CCC#CC(C)OCC1CC1 7a_100000033903_100000742324 [0,1,0,1,0,0|0,0,2]=4 28379 B11R1.285 CCCCC(=O)CCC1CC1 1458a_100000210183_100000694398 [0,1,0,1,0,0|1,0,0]=3 28380 B11R1.285 CCCCC(=O)CCC1CC1 1458a_100000756386_100000210211 [0,1,0,1,0,0|1,0,0]=3 28381 B11R1.285 CCCCC(=O)CCC1CO1 1458a_100000210183_100000732470 [0,1,0,1,0,0|2,0,0]=4 28382 B11R1.285 CCCCC(=O)NCC1CC1 11a_100000735609_100000210183 [0,1,0,1,0,0|1,0,1]=4 28383 B11R1.285 CCCCC(=O)NCC1CC1 1626a_100000735609_100000210183 [0,1,0,1,0,0|1,0,1]=4 28384 B11R1.285 CCCCC(=O)NCC1CC1 240690a_100000735609_100000210183 [0,1,0,1,0,0|1,0,1]=4 28385 B11R1.285 CCCCC(=O)NCC1CC1 527a_100000735609_100000210183 [0,1,0,1,0,0|1,0,1]=4 28386 B11R1.285 CCCCC(C)COC1CC1 34a_100011995851_100000211595 [0,1,0,1,0,0|2,0,0]=4 28387 B11R1.285 CCCCC(C)NCC1CC1 2230a_100000126638_100000742324 [0,1,0,1,0,0|1,0,0]=3 28388 B11R1.285 CCCCC(C)NCC1CC1 2230a_100000735609_200011215066 [0,1,0,1,0,0|1,0,0]=3 28389 B11R1.285 CCCCC(C)NCC1CC1 269862a_100000126638_100000741477 [0,1,0,1,0,0|1,0,0]=3 28390 B11R1.285 CCCCC(C)NCC1CC1 270004a_100000735609_100000210087 [0,1,0,1,0,0|1,0,0]=3 28391 B11R1.285 CCCCC(C)NCC1CC1 34a_100000735609_200011215066 [0,1,0,1,0,0|1,0,0]=3 28392 B11R1.285 CCCCC(C)NCC1CO1 2230a_100000126638_100011216344 [0,1,0,1,0,0|2,0,0]=4 28393 B11R1.285 CCCCC(C)OCC1CC1 34a_100000211283_200011215066 [0,1,0,1,0,0|0,0,0]=2 28394 B11R1.285 CCCCC(C)OCC1CC1 34a_100000687866_100000742324 [0,1,0,1,0,0|0,0,0]=2 28395 B11R1.285 CCCCC(C)OCC1CC1 7a_100000687866_100000742324 [0,1,0,1,0,0|0,0,0]=2 28396 B11R1.285 CCCCC(C)OCC1CO1 34a_100000687866_102125554688 [0,1,0,1,0,0|1,0,0]=3 28397 B11R1.285 CCCCC(C)OCC1CO1 7a_100000687866_102125554688 [0,1,0,1,0,0|1,0,0]=3 28398 B11R1.285 CCCCC(C)OCC1CS1 7a_100000687866_100000031435 [0,1,0,1,0,0|1,0,0]=3 28399 B11R1.285 CCCCC(C)OC[C@@H]1CO1 34a_100000757423_200011215066 [0,1,0,1,0,0|1,0,0]=3 28400 B11R1.285 CCCCC(C)OC[C@@H]1CO1 7a_100000687866_100000745022 [0,1,0,1,0,0|1,0,0]=3 28401 B11R1.285 CCCCC(C)SCC1CC1 62a_100000756562_200011215066 [0,1,0,1,0,0|0,1,0]=3 28402 B11R1.285 CCCCC(C)SCC1CC1 62a_200011215066_100000742324 [0,1,0,1,0,0|0,1,0]=3 28403 B11R1.285 CCCCC(C)SCC1CO1 62a_102125554688_200011215066 [0,1,0,1,0,0|1,1,0]=4 28404 B11R1.285 CCCCC(C)SCC1CO1 62a_200011215066_102125554688 [0,1,0,1,0,0|1,1,0]=4 28405 B11R1.285 CCCCC(C)SCC1CS1 62a_100000031435_200011215066 [0,1,0,1,0,0|1,1,0]=4 28406 B11R1.285 CCCCC(C)SCC1CS1 62a_200011215066_100000031435 [0,1,0,1,0,0|1,1,0]=4 28407 B11R1.285 CCCCC(C)SC[C@@H]1CO1 62a_100000745022_200011215066 [0,1,0,1,0,0|1,1,0]=4 28408 B11R1.285 CCCCC(C)SC[C@@H]1CO1 62a_200011215066_100000745022 [0,1,0,1,0,0|1,1,0]=4 28409 B11R1.285 CCCCN(C)CCC1CC1 2230a_100000207549_100000694398 [0,1,0,1,0,0|1,0,0]=3 28410 B11R1.285 CCCCN(C)CCC1CC1 269982a_100000207549_100000694398 [0,1,0,1,0,0|1,0,0]=3 28411 B11R1.285 CCCCN(C)CCC1CO1 2230a_100000207549_100000732470 [0,1,0,1,0,0|2,0,0]=4 28412 B11R1.285 CCCCN(C)CCC1CO1 269982a_100000207549_100000732470 [0,1,0,1,0,0|2,0,0]=4 28413 B11R1.285 CCCC[C@H](N)COC1CC1 34a_100011934283_100000211595 [0,1,0,1,0,0|2,0,0]=4 28414 B11R1.285 CCCNC(=O)CCC1CC1 11a_100020643023_100000756386 [0,1,0,1,0,0|2,0,0]=4 28415 B11R1.285 CCCNC(=O)CCC1CC1 1626a_100020643023_100000756386 [0,1,0,1,0,0|2,0,0]=4 28416 B11R1.285 CCCNC(=O)CCC1CC1 240690a_100020643023_100000756386 [0,1,0,1,0,0|2,0,0]=4 28417 B11R1.285 CCCNC(=O)CCC1CC1 527a_100020643023_100000756386 [0,1,0,1,0,0|2,0,0]=4 28418 B11R1.285 CCOCC(=O)CCC1CC1 1458a_100000211967_100000694398 [0,1,0,1,0,0|2,0,0]=4 28419 B11R1.285 CCOCC(C)OCC1CC1 34a_100000718985_100000742324 [0,1,0,1,0,0|1,0,0]=3 28420 B11R1.285 CCOCC(C)OCC1CC1 7a_100000718985_100000742324 [0,1,0,1,0,0|1,0,0]=3 28421 B11R1.285 CCOCC(C)OCC1CO1 34a_100000718985_102125554688 [0,1,0,1,0,0|2,0,0]=4 28422 B11R1.285 CCOCC(C)OCC1CO1 7a_100000718985_102125554688 [0,1,0,1,0,0|2,0,0]=4 28423 B11R1.285 CCOCC(C)OCC1CS1 7a_100000718985_100000031435 [0,1,0,1,0,0|2,0,0]=4 28424 B11R1.285 CCOCC(C)OC[C@@H]1CO1 7a_100000718985_100000745022 [0,1,0,1,0,0|2,0,0]=4 28425 B11R1.285 CCSCC(=O)CCC1CC1 1458a_100000230394_100000694398 [0,1,0,1,0,0|2,0,0]=4 28426 B11R1.285 CCSCC(C)NCC1CC1 270004a_100000735609_200011216171 [0,1,0,1,0,0|2,0,0]=4 28427 B11R1.285 CN(CCCO)CCC1CC1 2230a_100000213112_100000694398 [0,1,0,1,0,0|2,0,0]=4 28428 B11R1.285 CN(CCCO)CCC1CC1 269982a_100000213112_100000694398 [0,1,0,1,0,0|2,0,0]=4 28429 B11R1.285 COCCC(=O)CCC1CC1 1458a_100000749529_100000694398 [0,1,0,1,0,0|2,0,0]=4 28430 B11R1.285 COCCC(=O)CCC1CC1 1458a_100000756386_100000233755 [0,1,0,1,0,0|2,0,0]=4 28431 B11R1.285 COCCC(C)NCC1CC1 270004a_100000735609_100000742357 [0,1,0,1,0,0|2,0,0]=4 28432 B11R1.285 COCCN(C)CCC1CC1 2230a_100000743101_100000694398 [0,1,0,1,0,0|2,0,0]=4 28433 B11R1.285 COCCN(C)CCC1CC1 269982a_100000743101_100000694398 [0,1,0,1,0,0|2,0,0]=4 28434 B11R1.285 CSCCC(=O)CCC1CC1 1458a_100000174002_100000694398 [0,1,0,1,0,0|2,0,0]=4 28435 B11R1.285 CSCCC(=O)CCC1CC1 1458a_100000756386_100000751147 [0,1,0,1,0,0|2,0,0]=4 28436 B11R1.285 CSCCC(C)NCC1CC1 270004a_100000735609_100011217047 [0,1,0,1,0,0|2,0,0]=4 28437 B11R1.285 CSCCN(C)CCC1CC1 2230a_100000686725_100000694398 [0,1,0,1,0,0|2,0,0]=4 28438 B11R1.285 CSCCN(C)CCC1CC1 269982a_100000686725_100000694398 [0,1,0,1,0,0|2,0,0]=4 28439 B11R1.285 O=C(CCCF)CCC1CC1 1458a_100000756386_100011934791 [0,1,0,1,0,0|2,0,0]=4 28440 B11R1.285 O=C(CCCO)CCC1CC1 1458a_100000756386_100011215043 [0,1,0,1,0,0|2,0,0]=4 28441 B11R1.286 CCCCC(=O)N1CCC1C 11a_100000755817_100000210183 [0,1,0,1,0,0|1,0,1]=4 28442 B11R1.286 CCCCC(=O)N1CCC1C 240690a_100000755817_100000210183 [0,1,0,1,0,0|1,0,1]=4 28443 B11R1.286 CCCCC(=O)N1CCC1C 527a_100000755817_100000210183 [0,1,0,1,0,0|1,0,1]=4 28444 B11R1.286 CCCCC(C)N1CCC1C 269982a_100000755817_200011215066 [0,1,0,1,0,0|1,0,0]=3 28445 B11R1.286 CCCCC(C)N1CCC1C 34a_100000755817_200011215066 [0,1,0,1,0,0|1,0,0]=3 28446 B11R1.299 C#CCCOC(C)C1CCC1 34a_100000766398_100000688953 [0,1,0,1,0,0|0,0,2]=4 28447 B11R1.299 C#CCCOC(C)C1CCC1 7a_100000766398_100000688953 [0,1,0,1,0,0|0,0,2]=4 28448 B11R1.299 C/C=C/COC(C)C1CCC1 34a_100000766398_100102629194 [0,1,0,1,0,0|0,0,2]=4 28449 B11R1.299 C/C=C/COC(C)C1CCC1 7a_100000766398_100102629194 [0,1,0,1,0,0|0,0,2]=4 28450 B11R1.299 C=CCCOC(C)C1CCC1 34a_100000766398_100000754431 [0,1,0,1,0,0|0,0,2]=4 28451 B11R1.299 C=CCCOC(C)C1CCC1 7a_100000766398_100000754431 [0,1,0,1,0,0|0,0,2]=4 28452 B11R1.299 CC#CCOC(C)C1CCC1 34a_100000766398_100000748600 [0,1,0,1,0,0|0,0,2]=4 28453 B11R1.299 CC#CCOC(C)C1CCC1 7a_100000766398_100000748600 [0,1,0,1,0,0|0,0,2]=4 28454 B11R1.299 CC(NCCCF)C1CCC1 2230a_100016994624_100011934791 [0,1,0,1,0,0|2,0,0]=4 28455 B11R1.299 CC(NCCCF)C1CCC1 269862a_100015189416_100000760154 [0,1,0,1,0,0|2,0,0]=4 28456 B11R1.299 CC(NCCCF)C1CCC1 34a_100016994624_100011934791 [0,1,0,1,0,0|2,0,0]=4 28457 B11R1.299 CC(NCCCO)C1CCC1 2230a_100016994624_100000230001 [0,1,0,1,0,0|2,0,0]=4 28458 B11R1.299 CC(NCCCO)C1CCC1 269862a_100000182051_100000760154 [0,1,0,1,0,0|2,0,0]=4 28459 B11R1.299 CC(NCCCO)C1CCC1 34a_100016994624_100000230001 [0,1,0,1,0,0|2,0,0]=4 28460 B11R1.299 CC(OCCC#N)C1CCC1 7a_100000766398_100000184422 [0,1,0,1,0,0|1,0,1]=4 28461 B11R1.299 CC(OCCCF)C1CCC1 34a_100000766398_100011934791 [0,1,0,1,0,0|1,0,0]=3 28462 B11R1.299 CC(OCCCF)C1CCC1 7a_100000766398_100011934791 [0,1,0,1,0,0|1,0,0]=3 28463 B11R1.299 CC(OCCCO)C1CCC1 34a_100000766398_100000230001 [0,1,0,1,0,0|1,0,0]=3 28464 B11R1.299 CC(OCCCO)C1CCC1 7a_100000766398_100011215043 [0,1,0,1,0,0|1,0,0]=3 28465 B11R1.299 CC=CCOC(C)C1CCC1 34a_100000766398_100000070051 [0,1,0,1,0,0|0,0,2]=4 28466 B11R1.299 CC=CCOC(C)C1CCC1 7a_100000766398_100000070051 [0,1,0,1,0,0|0,0,2]=4 28467 B11R1.299 CCCCCC(=O)C1CCC1 1458a_100000209988_100000210326 [0,1,0,1,0,0|1,0,0]=3 28468 B11R1.299 CCCCCC(=O)C1CCC1 1458a_100000212188_100000749161 [0,1,0,1,0,0|1,0,0]=3 28469 B11R1.299 CCCCCC(=O)C1CCO1 1458a_100000089072_100000210326 [0,1,0,1,0,0|2,0,0]=4 28470 B11R1.299 CCCCCC(=O)C1COC1 1458a_100000212188_100000687716 [0,1,0,1,0,0|2,0,0]=4 28471 B11R1.299 CCCCCC(=O)C1COC1 1458a_100000758290_100000210326 [0,1,0,1,0,0|2,0,0]=4 28472 B11R1.299 CCCCCC(=O)N1CCC1 11a_100000754969_100000212188 [0,1,0,1,0,0|2,0,0]=4 28473 B11R1.299 CCCCCC(=O)N1CCC1 240690a_100000754969_100000212188 [0,1,0,1,0,0|2,0,0]=4 28474 B11R1.299 CCCCCC(=O)N1CCC1 527a_100000754969_100000212188 [0,1,0,1,0,0|2,0,0]=4 28475 B11R1.299 CCCCCC(C)N1CCC1 269982a_100000754969_200011218191 [0,1,0,1,0,0|2,0,0]=4 28476 B11R1.299 CCCCCN(C)C1CCC1 2230a_100000758072_100000210326 [0,1,0,1,0,0|1,0,0]=3 28477 B11R1.299 CCCCCN(C)C1CCC1 269982a_100000223495_100000749161 [0,1,0,1,0,0|1,0,0]=3 28478 B11R1.299 CCCCCN(C)C1CCC1 269982a_100000758072_100000210215 [0,1,0,1,0,0|1,0,0]=3 28479 B11R1.299 CCCCCN(C)C1CCC1 270004a_100000223495_100000241760 [0,1,0,1,0,0|1,0,0]=3 28480 B11R1.299 CCCCCN(C)C1CCC1 34a_100000758072_100000718602 [0,1,0,1,0,0|1,0,0]=3 28481 B11R1.299 CCCCCN(C)C1COC1 2230a_100102693430_100000210326 [0,1,0,1,0,0|2,0,0]=4 28482 B11R1.299 CCCCCN(C)C1COC1 269982a_100000223495_100000687716 [0,1,0,1,0,0|2,0,0]=4 28483 B11R1.299 CCCCCN(C)C1COC1 269982a_100102693430_100000210215 [0,1,0,1,0,0|2,0,0]=4 28484 B11R1.299 CCCCNC(=O)C1CCC1 11a_100000102301_100000209988 [0,1,0,1,0,0|1,0,1]=4 28485 B11R1.299 CCCCNC(=O)C1CCC1 1626a_100000102301_100000209988 [0,1,0,1,0,0|1,0,1]=4 28486 B11R1.299 CCCCNC(=O)C1CCC1 240690a_100000102301_100000209988 [0,1,0,1,0,0|1,0,1]=4 28487 B11R1.299 CCCCNC(=O)C1CCC1 527a_100000102301_100000209988 [0,1,0,1,0,0|1,0,1]=4 28488 B11R1.299 CCCCNC(C)C1CCC1 2230a_100016994624_100000210211 [0,1,0,1,0,0|1,0,0]=3 28489 B11R1.299 CCCCNC(C)C1CCC1 269862a_100000102301_100000760154 [0,1,0,1,0,0|1,0,0]=3 28490 B11R1.299 CCCCNC(C)C1CCC1 34a_100016994624_100000210210 [0,1,0,1,0,0|1,0,0]=3 28491 B11R1.299 CCCCOC(C)C1CCC1 34a_100000766398_100000210210 [0,1,0,1,0,0|0,0,0]=2 28492 B11R1.299 CCCCOC(C)C1CCC1 7a_100000766398_100000210211 [0,1,0,1,0,0|0,0,0]=2 28493 B11R1.299 CCCOCC(=O)C1CCC1 1458a_100000745993_100000749161 [0,1,0,1,0,0|2,0,0]=4 28494 B11R1.299 CCCOCC(=O)C1CCC1 34a_100000210258_100000686122 [0,1,0,1,0,0|2,0,0]=4 28495 B11R1.299 CCCSCC(=O)C1CCC1 1458a_100000217233_100000749161 [0,1,0,1,0,0|2,0,0]=4 28496 B11R1.299 CCCSCC(=O)C1CCC1 62a_100000210303_100000686122 [0,1,0,1,0,0|2,0,0]=4 28497 B11R1.299 CCCSCC(=O)C1CCC1 62a_100000686122_100000210303 [0,1,0,1,0,0|2,0,0]=4 28498 B11R1.299 CCOCCC(=O)C1CCC1 1458a_100000209988_100011215890 [0,1,0,1,0,0|2,0,0]=4 28499 B11R1.299 CCOCCC(=O)C1CCC1 1458a_100000749530_100000749161 [0,1,0,1,0,0|2,0,0]=4 28500 B11R1.299 CCOCCN(C)C1CCC1 2230a_100000758072_100011215890 [0,1,0,1,0,0|2,0,0]=4 28501 B11R1.299 CCOCCN(C)C1CCC1 269982a_100000758072_100011215890 [0,1,0,1,0,0|2,0,0]=4 28502 B11R1.299 CCOCCN(C)C1CCC1 34a_100000758072_100000210147 [0,1,0,1,0,0|2,0,0]=4 28503 B11R1.299 CCSCCC(=O)C1CCC1 1458a_100000209988_100000757381 [0,1,0,1,0,0|2,0,0]=4 28504 B11R1.299 CCSCCC(=O)C1CCC1 1458a_100000230768_100000749161 [0,1,0,1,0,0|2,0,0]=4 28505 B11R1.299 CCSCCN(C)C1CCC1 2230a_100000758072_100000757381 [0,1,0,1,0,0|2,0,0]=4 28506 B11R1.299 CCSCCN(C)C1CCC1 269982a_100000758072_100000757381 [0,1,0,1,0,0|2,0,0]=4 28507 B11R1.299 CCSCCN(C)C1CCC1 34a_100000758072_100000757381 [0,1,0,1,0,0|2,0,0]=4 28508 B11R1.299 CN(CCCCF)C1CCC1 2230a_100000758072_100000729493 [0,1,0,1,0,0|2,0,0]=4 28509 B11R1.299 CN(CCCCF)C1CCC1 269982a_100000758072_100000729493 [0,1,0,1,0,0|2,0,0]=4 28510 B11R1.299 CN(CCCCF)C1CCC1 34a_100000758072_100000729493 [0,1,0,1,0,0|2,0,0]=4 28511 B11R1.299 CN(CCCCO)C1CCC1 2230a_100000758072_100000210776 [0,1,0,1,0,0|2,0,0]=4 28512 B11R1.299 CN(CCCCO)C1CCC1 269982a_100000717598_100000749161 [0,1,0,1,0,0|2,0,0]=4 28513 B11R1.299 CN(CCCCO)C1CCC1 269982a_100000758072_100000210776 [0,1,0,1,0,0|2,0,0]=4 28514 B11R1.299 CN(CCCCO)C1CCC1 270004a_100000717598_100000241760 [0,1,0,1,0,0|2,0,0]=4 28515 B11R1.299 CN(CCCCO)C1CCC1 34a_100000758072_100011216708 [0,1,0,1,0,0|2,0,0]=4 28516 B11R1.299 COCCCC(=O)C1CCC1 1458a_100000209988_100000740836 [0,1,0,1,0,0|2,0,0]=4 28517 B11R1.299 COCCCC(=O)C1CCC1 1458a_100000741012_100000749161 [0,1,0,1,0,0|2,0,0]=4 28518 B11R1.299 COCCCN(C)C1CCC1 2230a_100000758072_100000740836 [0,1,0,1,0,0|2,0,0]=4 28519 B11R1.299 COCCCN(C)C1CCC1 269982a_100000224831_100000749161 [0,1,0,1,0,0|2,0,0]=4 28520 B11R1.299 COCCCN(C)C1CCC1 269982a_100000758072_100000740836 [0,1,0,1,0,0|2,0,0]=4 28521 B11R1.299 COCCCN(C)C1CCC1 270004a_100000224831_100000241760 [0,1,0,1,0,0|2,0,0]=4 28522 B11R1.299 COCCCN(C)C1CCC1 34a_100000758072_100000740836 [0,1,0,1,0,0|2,0,0]=4 28523 B11R1.299 COCCNC(C)C1CCC1 2230a_100016994624_100011201679 [0,1,0,1,0,0|2,0,0]=4 28524 B11R1.299 COCCNC(C)C1CCC1 269862a_100000209980_100000760154 [0,1,0,1,0,0|2,0,0]=4 28525 B11R1.299 COCCNC(C)C1CCC1 34a_100016994624_100011201679 [0,1,0,1,0,0|2,0,0]=4 28526 B11R1.299 COCCOC(C)C1CCC1 34a_100000766398_100011201679 [0,1,0,1,0,0|1,0,0]=3 28527 B11R1.299 COCCOC(C)C1CCC1 7a_100000766398_100000233755 [0,1,0,1,0,0|1,0,0]=3 28528 B11R1.299 CSCCCC(=O)C1CCC1 1458a_100000173376_100000749161 [0,1,0,1,0,0|2,0,0]=4 28529 B11R1.299 CSCCNC(C)C1CCC1 2230a_100016994624_100000751147 [0,1,0,1,0,0|2,0,0]=4 28530 B11R1.299 CSCCNC(C)C1CCC1 269862a_100020590264_100000760154 [0,1,0,1,0,0|2,0,0]=4 28531 B11R1.299 CSCCNC(C)C1CCC1 34a_100016994624_100000212216 [0,1,0,1,0,0|2,0,0]=4 28532 B11R1.299 CSCCOC(C)C1CCC1 34a_100000766398_100000212216 [0,1,0,1,0,0|1,0,0]=3 28533 B11R1.299 CSCCOC(C)C1CCC1 7a_100000766398_100000212216 [0,1,0,1,0,0|1,0,0]=3 28534 B11R1.299 O=C(CCCCF)C1CCC1 1458a_100000209988_100000729493 [0,1,0,1,0,0|2,0,0]=4 28535 B11R1.299 O=C(CCCCO)C1CCC1 1458a_100000209988_100000210776 [0,1,0,1,0,0|2,0,0]=4 28536 B11R1.299 O=C(CCCCO)C1CCC1 1458a_100000695505_100000749161 [0,1,0,1,0,0|2,0,0]=4 28537 B11R1.301 CC(CC1CC1)NCCCF 270004a_100015189416_200000686933 [0,1,0,1,0,0|2,0,0]=4 28538 B11R1.301 CC(CC1CC1)NCCCO 270004a_100000182051_200000686933 [0,1,0,1,0,0|2,0,0]=4 28539 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000212188_100000742324 [0,1,0,1,0,0|1,0,0]=3 28540 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000738066_100000210326 [0,1,0,1,0,0|1,0,0]=3 28541 B11R1.301 CCCCCC(=O)CC1CO1 1458a_100000212188_100011216344 [0,1,0,1,0,0|2,0,0]=4 28542 B11R1.301 CCCCCC(=O)CC1CS1 1458a_100000212188_100000031435 [0,1,0,1,0,0|2,0,0]=4 28543 B11R1.301 CCCCCC(=O)C[C@@H]1CO1 1458a_100000212188_100000745022 [0,1,0,1,0,0|2,0,0]=4 28544 B11R1.301 CCCCCC(=O)NC1CC1 1626a_100000212008_100000212188 [0,1,0,1,0,0|2,0,0]=4 28545 B11R1.301 CCCCCC(=O)NC1CC1 240690a_100000212008_100000212188 [0,1,0,1,0,0|2,0,0]=4 28546 B11R1.301 CCCCCC(=O)NC1CC1 527a_100000212008_100000212188 [0,1,0,1,0,0|2,0,0]=4 28547 B11R1.301 CCCCCC(C)NC1CC1 34a_100000212008_200011218191 [0,1,0,1,0,0|2,0,0]=4 28548 B11R1.301 CCCCCC(C)OC1CC1 34a_100011215632_100000211595 [0,1,0,1,0,0|2,0,0]=4 28549 B11R1.301 CCCCCC(C)SC1CC1 62a_200011218191_100000211595 [0,1,0,1,0,0|2,0,0]=4 28550 B11R1.301 CCCCCN(C)CC1CC1 2230a_100000223495_100000742324 [0,1,0,1,0,0|1,0,0]=3 28551 B11R1.301 CCCCCN(C)CC1CC1 2230a_100000741881_100000210326 [0,1,0,1,0,0|1,0,0]=3 28552 B11R1.301 CCCCCN(C)CC1CC1 269982a_100000223495_100000756562 [0,1,0,1,0,0|1,0,0]=3 28553 B11R1.301 CCCCCN(C)CC1CC1 269982a_100000741881_100000210215 [0,1,0,1,0,0|1,0,0]=3 28554 B11R1.301 CCCCCN(C)CC1CO1 2230a_100000223495_100011216344 [0,1,0,1,0,0|2,0,0]=4 28555 B11R1.301 CCCCCN(C)CC1CO1 269982a_100000223495_102125554688 [0,1,0,1,0,0|2,0,0]=4 28556 B11R1.301 CCCCCN(C)CC1CS1 269982a_100000223495_100000031435 [0,1,0,1,0,0|2,0,0]=4 28557 B11R1.301 CCCCCN(C)C[C@@H]1CO1 269982a_100000223495_100000745022 [0,1,0,1,0,0|2,0,0]=4 28558 B11R1.301 CCCCNC(=O)CC1CC1 11a_100000102301_100000738066 [0,1,0,1,0,0|1,0,1]=4 28559 B11R1.301 CCCCNC(=O)CC1CC1 1626a_100000102301_100000738066 [0,1,0,1,0,0|1,0,1]=4 28560 B11R1.301 CCCCNC(=O)CC1CC1 240690a_100000102301_100000738066 [0,1,0,1,0,0|1,0,1]=4 28561 B11R1.301 CCCCNC(=O)CC1CC1 527a_100000102301_100000738066 [0,1,0,1,0,0|1,0,1]=4 28562 B11R1.301 CCCCNC(C)CC1CC1 270004a_100000102301_200000686933 [0,1,0,1,0,0|1,0,0]=3 28563 B11R1.301 CCCOCC(=O)CC1CC1 1458a_100000745993_100000742324 [0,1,0,1,0,0|2,0,0]=4 28564 B11R1.301 CCCSCC(=O)CC1CC1 1458a_100000217233_100000742324 [0,1,0,1,0,0|2,0,0]=4 28565 B11R1.301 CCOCCC(=O)CC1CC1 1458a_100000738066_100011215890 [0,1,0,1,0,0|2,0,0]=4 28566 B11R1.301 CCOCCC(=O)CC1CC1 1458a_100000749530_100000742324 [0,1,0,1,0,0|2,0,0]=4 28567 B11R1.301 CCOCCN(C)CC1CC1 2230a_100000741881_100011215890 [0,1,0,1,0,0|2,0,0]=4 28568 B11R1.301 CCOCCN(C)CC1CC1 269982a_100000741881_100011215890 [0,1,0,1,0,0|2,0,0]=4 28569 B11R1.301 CCSCCC(=O)CC1CC1 1458a_100000230768_100000742324 [0,1,0,1,0,0|2,0,0]=4 28570 B11R1.301 CCSCCC(=O)CC1CC1 1458a_100000738066_100000757381 [0,1,0,1,0,0|2,0,0]=4 28571 B11R1.301 CCSCCN(C)CC1CC1 2230a_100000741881_100000757381 [0,1,0,1,0,0|2,0,0]=4 28572 B11R1.301 CCSCCN(C)CC1CC1 269982a_100000741881_100000757381 [0,1,0,1,0,0|2,0,0]=4 28573 B11R1.301 CN(CCCCF)CC1CC1 2230a_100000741881_100000729493 [0,1,0,1,0,0|2,0,0]=4 28574 B11R1.301 CN(CCCCF)CC1CC1 269982a_100000741881_100000729493 [0,1,0,1,0,0|2,0,0]=4 28575 B11R1.301 CN(CCCCO)CC1CC1 2230a_100000717598_100000742324 [0,1,0,1,0,0|2,0,0]=4 28576 B11R1.301 CN(CCCCO)CC1CC1 2230a_100000741881_100000210776 [0,1,0,1,0,0|2,0,0]=4 28577 B11R1.301 CN(CCCCO)CC1CC1 269982a_100000717598_100000756562 [0,1,0,1,0,0|2,0,0]=4 28578 B11R1.301 CN(CCCCO)CC1CC1 269982a_100000741881_100000210776 [0,1,0,1,0,0|2,0,0]=4 28579 B11R1.301 COCCCC(=O)CC1CC1 1458a_100000738066_100000740836 [0,1,0,1,0,0|2,0,0]=4 28580 B11R1.301 COCCCC(=O)CC1CC1 1458a_100000741012_100000742324 [0,1,0,1,0,0|2,0,0]=4 28581 B11R1.301 COCCCN(C)CC1CC1 2230a_100000224831_100000742324 [0,1,0,1,0,0|2,0,0]=4 28582 B11R1.301 COCCCN(C)CC1CC1 2230a_100000741881_100000740836 [0,1,0,1,0,0|2,0,0]=4 28583 B11R1.301 COCCCN(C)CC1CC1 269982a_100000224831_100000756562 [0,1,0,1,0,0|2,0,0]=4 28584 B11R1.301 COCCCN(C)CC1CC1 269982a_100000741881_100000740836 [0,1,0,1,0,0|2,0,0]=4 28585 B11R1.301 COCCNC(C)CC1CC1 270004a_100000209980_200000686933 [0,1,0,1,0,0|2,0,0]=4 28586 B11R1.301 CSCCCC(=O)CC1CC1 1458a_100000173376_100000742324 [0,1,0,1,0,0|2,0,0]=4 28587 B11R1.301 CSCCNC(C)CC1CC1 270004a_100020590264_200000686933 [0,1,0,1,0,0|2,0,0]=4 28588 B11R1.301 O=C(CCCCF)CC1CC1 1458a_100000738066_100000729493 [0,1,0,1,0,0|2,0,0]=4 28589 B11R1.301 O=C(CCCCO)CC1CC1 1458a_100000695505_100000742324 [0,1,0,1,0,0|2,0,0]=4 28590 B11R1.301 O=C(CCCCO)CC1CC1 1458a_100000738066_100000210776 [0,1,0,1,0,0|2,0,0]=4 28591 B11R1.465 CC1CCC(N1CCCF)C 2230a_100000687148_100011934791 [0,1,0,1,0,0|2,0,0]=4 28592 B11R1.465 CC1CCC(N1CCCF)C 269982a_100000687148_100011934791 [0,1,0,1,0,0|2,0,0]=4 28593 B11R1.465 CC1CCC(N1CCCF)C 34a_100000687148_100011934791 [0,1,0,1,0,0|2,0,0]=4 28594 B11R1.465 CC1CCC(N1CCCO)C 2230a_100000687148_100000230001 [0,1,0,1,0,0|2,0,0]=4 28595 B11R1.465 CC1CCC(N1CCCO)C 269982a_100000687148_100011215043 [0,1,0,1,0,0|2,0,0]=4 28596 B11R1.465 CC1CCC(N1CCCO)C 34a_100000687148_100000230001 [0,1,0,1,0,0|2,0,0]=4 28597 B11R1.465 CCCCN1C(CCC1C)C 2230a_100000687148_100000210211 [0,1,0,1,0,0|1,0,0]=3 28598 B11R1.465 CCCCN1C(CCC1C)C 269982a_100000687148_100000210211 [0,1,0,1,0,0|1,0,0]=3 28599 B11R1.465 CCCCN1C(CCC1C)C 34a_100000687148_100000210210 [0,1,0,1,0,0|1,0,0]=3 28600 B11R1.465 CCOCN1C(CCC1C)C 269982a_100000687148_100000739092 [0,1,0,1,0,0|2,0,0]=4 28601 B11R1.465 COCCN1C(CCC1C)C 2230a_100000687148_100011201679 [0,1,0,1,0,0|2,0,0]=4 28602 B11R1.465 COCCN1C(CCC1C)C 269982a_100000687148_100000233755 [0,1,0,1,0,0|2,0,0]=4 28603 B11R1.465 COCCN1C(CCC1C)C 34a_100000687148_100011201679 [0,1,0,1,0,0|2,0,0]=4 28604 B11R1.465 CSCCN1C(CCC1C)C 2230a_100000687148_100000751147 [0,1,0,1,0,0|2,0,0]=4 28605 B11R1.465 CSCCN1C(CCC1C)C 269982a_100000687148_100000212216 [0,1,0,1,0,0|2,0,0]=4 28606 B11R1.465 CSCCN1C(CCC1C)C 34a_100000687148_100000212216 [0,1,0,1,0,0|2,0,0]=4 28607 B11R1.605 CCCN1C(CCCC1C)C 2230a_100000210447_100000210303 [0,1,0,1,0,0|2,0,0]=4 28608 B11R1.605 CCCN1C(CCCC1C)C 269982a_100000210447_100000210303 [0,1,0,1,0,0|2,0,0]=4 28609 B11R1.605 CCCN1C(CCCC1C)C 34a_100000210447_100000210303 [0,1,0,1,0,0|2,0,0]=4 28610 B11R1.605 CCNC1C(CCCC1C)C 269862a_100015525214_100000211995 [0,1,0,1,0,0|2,0,0]=4 28611 B11R1.605 CCOC1C(CCCC1C)C 34a_100011218088_100000210202 [0,1,0,1,0,0|2,0,0]=4 28612 B11R1.605 CCOC1C(CCCC1C)C 7a_100011218088_100000210202 [0,1,0,1,0,0|2,0,0]=4 28613 B11R1.756 C#CCCOC1(CCCC1)C 34a_100000751722_100000688953 [0,1,0,1,0,0|0,0,2]=4 28614 B11R1.756 C#CCCOC1(CCCC1)C 7a_100000751722_100000688953 [0,1,0,1,0,0|0,0,2]=4 28615 B11R1.756 C/C=C/COC1(CCCC1)C 34a_100000751722_100102629194 [0,1,0,1,0,0|0,0,2]=4 28616 B11R1.756 C/C=C/COC1(CCCC1)C 7a_100000751722_100102629194 [0,1,0,1,0,0|0,0,2]=4 28617 B11R1.756 C=CCCOC1(CCCC1)C 34a_100000751722_100000754431 [0,1,0,1,0,0|0,0,2]=4 28618 B11R1.756 C=CCCOC1(CCCC1)C 7a_100000751722_100000754431 [0,1,0,1,0,0|0,0,2]=4 28619 B11R1.756 CC#CCOC1(CCCC1)C 34a_100000751722_100000748600 [0,1,0,1,0,0|0,0,2]=4 28620 B11R1.756 CC#CCOC1(CCCC1)C 7a_100000751722_100000748600 [0,1,0,1,0,0|0,0,2]=4 28621 B11R1.756 CC1(CCCC1)OCCC#N 7a_100000751722_100000184422 [0,1,0,1,0,0|1,0,1]=4 28622 B11R1.756 CC1(CCCC1)OCCCF 34a_100000751722_100011934791 [0,1,0,1,0,0|1,0,0]=3 28623 B11R1.756 CC1(CCCC1)OCCCF 7a_100000751722_100011934791 [0,1,0,1,0,0|1,0,0]=3 28624 B11R1.756 CC1(CCCC1)OCCCO 34a_100000751722_100000230001 [0,1,0,1,0,0|1,0,0]=3 28625 B11R1.756 CC1(CCCC1)OCCCO 7a_100000751722_100011215043 [0,1,0,1,0,0|1,0,0]=3 28626 B11R1.756 CC=CCOC1(CCCC1)C 34a_100000751722_100000070051 [0,1,0,1,0,0|0,0,2]=4 28627 B11R1.756 CC=CCOC1(CCCC1)C 7a_100000751722_100000070051 [0,1,0,1,0,0|0,0,2]=4 28628 B11R1.756 CCCCNC1(CCOC1)C 2230a_100000693475_100000210211 [0,1,0,1,0,0|2,0,0]=4 28629 B11R1.756 CCCCOC1(CCCC1)C 34a_100000751722_100000210210 [0,1,0,1,0,0|0,0,0]=2 28630 B11R1.756 CCCCOC1(CCCC1)C 7a_100000751722_100000210211 [0,1,0,1,0,0|0,0,0]=2 28631 B11R1.756 CCCNCC1(CCCC1)O 2230a_100000737848_100000210303 [0,1,0,1,0,0|2,0,0]=4 28632 B11R1.756 CCCOCC1(CCCC1)N 34a_100000749328_100000210303 [0,1,0,1,0,0|2,0,0]=4 28633 B11R1.756 CCNCCC1(CCCC1)O 34a_100000719956_100000210202 [0,1,0,1,0,0|2,0,0]=4 28634 B11R1.756 COCCOC1(CCCC1)C 34a_100000751722_100011201679 [0,1,0,1,0,0|1,0,0]=3 28635 B11R1.756 COCCOC1(CCCC1)C 7a_100000751722_100000233755 [0,1,0,1,0,0|1,0,0]=3 28636 B11R1.756 CSCCOC1(CCCC1)C 34a_100000751722_100000212216 [0,1,0,1,0,0|1,0,0]=3 28637 B11R1.756 CSCCOC1(CCCC1)C 7a_100000751722_100000212216 [0,1,0,1,0,0|1,0,0]=3 28638 B11R1.900 CCCNC1(CCCCC1)C 2230a_100000741114_100000210303 [0,1,0,1,0,0|2,0,0]=4 28639 B11R1.900 CCCNC1(CCCCC1)C 34a_100000741114_100000210303 [0,1,0,1,0,0|2,0,0]=4 28640 B11R1.900 CCCOC1(CCCCC1)C 34a_100011215885_100000210303 [0,1,0,1,0,0|2,0,0]=4 28641 B11R1.900 CCCOC1(CCCCC1)C 7a_100011215885_100000210303 [0,1,0,1,0,0|2,0,0]=4 28642 B11R1.900 CCNCC1(CCCCC1)C 2230a_100000706052_100000210202 [0,1,0,1,0,0|2,0,0]=4 28643 B11R1.900 CCNCC1(CCCCC1)C 269862a_100015525214_100011935227 [0,1,0,1,0,0|2,0,0]=4 28644 B11R1.900 CCNCC1(CCCCC1)C 34a_100000706052_100000210202 [0,1,0,1,0,0|2,0,0]=4 28645 B11R1.900 CCNCC1(CCCCC1)O 2230a_100000748649_100000210202 [0,1,0,1,0,0|2,0,0]=4 28646 B11R1.900 CCNCC1(CCCCC1)O 34a_100000748649_100000210202 [0,1,0,1,0,0|2,0,0]=4 28647 B11R1.900 CCOCC1(CCCCC1)C 34a_100000688186_100000210202 [0,1,0,1,0,0|2,0,0]=4 28648 B11R1.900 CCOCC1(CCCCC1)C 7a_100000688186_100000210202 [0,1,0,1,0,0|2,0,0]=4 28649 B11R1.900 CCOCC1(CCCCC1)F 34a_100000090305_100000210202 [0,1,0,1,0,0|2,0,0]=4 28650 B11R1.900 CCOCC1(CCCCC1)F 7a_100000090305_100000210202 [0,1,0,1,0,0|2,0,0]=4 28651 B11R1.900 CCOCC1(CCCCC1)N 34a_100000740034_100000210202 [0,1,0,1,0,0|2,0,0]=4 28652 B11R1.900 CNCCC1(CCCCC1)O 2230a_100102740465_200000210301 [0,1,0,1,0,0|2,0,0]=4 28653 B11R1.900 CNCCC1(CCCCC1)O 34a_100102740465_200000210301 [0,1,0,1,0,0|2,0,0]=4 28654 B11R1.900 [13CH3]NCCC1(CCCCC1)O 2230a_100102740465_200025704644 [0,1,0,1,0,0|2,0,0]=4 28655 B11R1.900 [13CH3]NCCC1(CCCCC1)O 34a_100102740465_200025704644 [0,1,0,1,0,0|2,0,0]=4 28656 B11R1.1034 CC1CC1C(=O)CCCCF 1458a_100000211227_100000729493 [0,1,0,1,0,0|2,0,0]=4 28657 B11R1.1034 CC1CC1C(=O)CCCCO 1458a_100000211227_100000210776 [0,1,0,1,0,0|2,0,0]=4 28658 B11R1.1034 CCCCCC(=O)C1CC1C 1458a_100000211227_100000210326 [0,1,0,1,0,0|1,0,0]=3 28659 B11R1.1034 CCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210326 [0,1,0,1,0,0|2,0,0]=4 28660 B11R1.1034 CCCCNC(=O)C1CC1C 11a_100000102301_100000211227 [0,1,0,1,0,0|1,0,1]=4 28661 B11R1.1034 CCCCNC(=O)C1CC1C 1626a_100000102301_100000211227 [0,1,0,1,0,0|1,0,1]=4 28662 B11R1.1034 CCCCNC(=O)C1CC1C 527a_100000102301_100000211227 [0,1,0,1,0,0|1,0,1]=4 28663 B11R1.1034 CCOCCC(=O)C1CC1C 1458a_100000211227_100011215890 [0,1,0,1,0,0|2,0,0]=4 28664 B11R1.1034 CCSCCC(=O)C1CC1C 1458a_100000211227_100000757381 [0,1,0,1,0,0|2,0,0]=4 28665 B11R1.1034 COCCCC(=O)C1CC1C 1458a_100000211227_100000740836 [0,1,0,1,0,0|2,0,0]=4 28666 B11R2.10 CN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_200000210301 [0,0,0,2,0,0|2,0,0]=4 28667 B11R2.10 CN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_200000210301 [0,0,0,2,0,0|2,0,0]=4 28668 B11R2.10 CN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_200000210301 [0,0,0,2,0,0|2,0,0]=4 28669 B11R2.10 [13CH3]N1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_200025704644 [0,0,0,2,0,0|2,0,0]=4 28670 B11R2.10 [13CH3]N1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_200025704644 [0,0,0,2,0,0|2,0,0]=4 28671 B11R2.10 [13CH3]N1C[C@H]2CCCC[C@H]2C1 34a_100015204113_200025704644 [0,0,0,2,0,0|2,0,0]=4 28672 B11R2.55 CC1CCCCN1C2CC2 269982a_100000211376_100000211595 [0,0,0,2,0,0|2,0,0]=4 28673 B11R2.55 CC1CCCCN1C2CC2 34a_100000211376_100000211595 [0,0,0,2,0,0|2,0,0]=4 28674 B11R2.248 CCCN1CC2CCC1C2 2230a_100000743476_100000210303 [0,0,0,2,0,0|2,0,0]=4 28675 B11R2.248 CCCN1CC2CCC1C2 269982a_100000743476_100000210303 [0,0,0,2,0,0|2,0,0]=4 28676 B11R2.248 CCCN1CC2CCC1C2 34a_100000743476_100000210303 [0,0,0,2,0,0|2,0,0]=4 28677 B11R2.248 CCNC1CC2CCC1C2 2230a_100000758229_100000210202 [0,0,0,2,0,0|2,0,0]=4 28678 B11R2.248 CCNC1CC2CCC1C2 269862a_100015525214_100000223372 [0,0,0,2,0,0|2,0,0]=4 28679 B11R2.248 CCNC1CC2CCC1C2 270004a_100015525214_100000223372 [0,0,0,2,0,0|2,0,0]=4 28680 B11R2.248 CCNC1CC2CCC1C2 34a_100000758229_100000210202 [0,0,0,2,0,0|2,0,0]=4 28681 B11R2.248 CCOC1CC2CCC1C2 34a_100000211339_100000210202 [0,0,0,2,0,0|2,0,0]=4 28682 B11R2.248 CCOC1CC2CCC1C2 34a_100121572206_100000727232 [0,0,0,2,0,0|2,0,0]=4 28683 B11R2.248 CCSC1CC2CCC1C2 62a_100000210202_100000727232 [0,0,0,2,0,0|2,0,0]=4 28684 B11R2.248 CCSC1CC2CCC1C2 62a_100000727232_100000210202 [0,0,0,2,0,0|2,0,0]=4 28685 B11R2.248 CNCC1CC2CCC1C2 269862a_106832991636_100000697602 [0,0,0,2,0,0|2,0,0]=4 28686 B11R2.248 CNCC1CC2CCC1C2 270004a_106832991635_100000697602 [0,0,0,2,0,0|2,0,0]=4 28687 B11R2.248 COCC1CC2CCC1C2 34a_100000229996_200000210301 [0,0,0,2,0,0|2,0,0]=4 28688 B11R2.248 [13CH3]OCC1CC2CCC1C2 34a_100000229996_200025704644 [0,0,0,2,0,0|2,0,0]=4 28689 B11R2.641 CCNC1CCCC2C1C2 269862a_100015525214_100000697651 [0,0,0,2,0,0|2,0,0]=4 28690 B11R2.36 CN1CCN2CCC[C@@H]2C1 2230a_100000008389_200000210301 [0,0,0,2,0,0|2,0,0]=4 28691 B11R2.36 CN1CCN2CCC[C@@H]2C1 269982a_100000008389_200000210301 [0,0,0,2,0,0|2,0,0]=4 28692 B11R2.36 CN1CCN2CCC[C@@H]2C1 34a_100000008389_200000210301 [0,0,0,2,0,0|2,0,0]=4 28693 B11R2.36 [13CH3]N1CCN2CCC[C@@H]2C1 2230a_100000008389_200025704644 [0,0,0,2,0,0|2,0,0]=4 28694 B11R2.36 [13CH3]N1CCN2CCC[C@@H]2C1 269982a_100000008389_200025704644 [0,0,0,2,0,0|2,0,0]=4 28695 B11R2.36 [13CH3]N1CCN2CCC[C@@H]2C1 34a_100000008389_200025704644 [0,0,0,2,0,0|2,0,0]=4 28696 B11R2.76 CCCN1C2CCC1CC2 2230a_100000735658_100000210303 [0,0,0,2,0,0|2,0,0]=4 28697 B11R2.76 CCCN1C2CCC1CC2 269982a_100000735658_100000210303 [0,0,0,2,0,0|2,0,0]=4 28698 B11R2.76 CCCN1C2CCC1CC2 34a_100000735658_100000210303 [0,0,0,2,0,0|2,0,0]=4 28699 B11R2.76 CCOC1C2CCC1CC2 34a_100121572206_100009813300 [0,0,0,2,0,0|2,0,0]=4 28700 B11R2.76 CCSC1C2CCC1CC2 62a_100000210202_100009813300 [0,0,0,2,0,0|2,0,0]=4 28701 B11R2.76 CCSC1C2CCC1CC2 62a_100009813300_100000210202 [0,0,0,2,0,0|2,0,0]=4 28702 B11R2.143 CCCN1CCCC12CC2 2230a_100020620911_100000210303 [0,0,0,2,0,0|2,0,0]=4 28703 B11R2.143 CCCN1CCCC12CC2 269982a_100020620911_100000210303 [0,0,0,2,0,0|2,0,0]=4 28704 B11R2.143 CCCN1CCCC12CC2 34a_100020620911_100000210303 [0,0,0,2,0,0|2,0,0]=4 28705 B11R2.143 CCNC1CCCC12CC2 269862a_100015525214_100009881796 [0,0,0,2,0,0|2,0,0]=4 28706 B11R2.191 CO[C@H]1CO[C@@H]2[C@H]1CCO2 34a_100015698664_200000210301 [0,0,0,2,0,0|2,0,0]=4 28707 B11R2.191 CO[C@H]1CO[C@@H]2[C@H]1CCO2 7a_100015698664_200000210301 [0,0,0,2,0,0|2,0,0]=4 28708 B11R2.191 [13CH3]O[C@H]1CO[C@@H]2[C@H]1CCO2 34a_100015698664_200025704644 [0,0,0,2,0,0|2,0,0]=4 28709 B11R2.191 [13CH3]O[C@H]1CO[C@@H]2[C@H]1CCO2 7a_100015698664_200025704644 [0,0,0,2,0,0|2,0,0]=4 28710 B11R2.216 CCC1CCCN1C2CC2 269982a_100000754278_100000211595 [0,0,0,2,0,0|2,0,0]=4 28711 B11R2.216 CCC1CCCN1C2CC2 34a_100000754278_100000211595 [0,0,0,2,0,0|2,0,0]=4 28712 B11R2.216 CCN1CCCC1C2CC2 2230a_200000757794_100000210202 [0,0,0,2,0,0|2,0,0]=4 28713 B11R2.216 CCN1CCCC1C2CC2 269982a_200000757794_100000204670 [0,0,0,2,0,0|2,0,0]=4 28714 B11R2.216 CCN1CCCC1C2CC2 34a_200000757794_100000210202 [0,0,0,2,0,0|2,0,0]=4 28715 B11R2.232 CCN1C2CCC1COC2 2230a_100015205251_100000210202 [0,0,0,2,0,0|1,0,0]=3 28716 B11R2.232 CCN1C2CCC1COC2 269982a_100015205251_100000204670 [0,0,0,2,0,0|1,0,0]=3 28717 B11R2.232 CCN1C2CCC1COC2 34a_100015205251_100000210202 [0,0,0,2,0,0|1,0,0]=3 28718 B11R2.232 FCN1C2CCC1COC2 269982a_100015205251_100015361967 [0,0,0,2,0,0|2,0,0]=4 28719 B11R2.232 FCN1C2CCC1COC2 34a_100015205251_100015361967 [0,0,0,2,0,0|2,0,0]=4 28720 B11R2.64 CN1CCN2CCC1CC2 269982a_100000027273_200000210301 [0,0,0,2,0,0|2,0,0]=4 28721 B11R2.64 [13CH3]N1CCN2CCC1CC2 269982a_100000027273_200025704644 [0,0,0,2,0,0|2,0,0]=4 28722 B11R2.157 CCCCN1CC2CC2C1 2230a_100000741873_100000210211 [0,0,0,2,0,0|1,0,0]=3 28723 B11R2.157 CCCCN1CC2CC2C1 269982a_100000741873_100000210211 [0,0,0,2,0,0|1,0,0]=3 28724 B11R2.157 CCCCN1CC2CC2C1 34a_100000741873_100000210210 [0,0,0,2,0,0|1,0,0]=3 28725 B11R2.157 CCCNC1CC2CC2C1 270004a_100020643023_100010340937 [0,0,0,2,0,0|2,0,0]=4 28726 B11R2.157 CCOCN1CC2CC2C1 269982a_100000741873_100000739092 [0,0,0,2,0,0|2,0,0]=4 28727 B11R2.157 COCCN1CC2CC2C1 2230a_100000741873_100011201679 [0,0,0,2,0,0|2,0,0]=4 28728 B11R2.157 COCCN1CC2CC2C1 269982a_100000741873_100000233755 [0,0,0,2,0,0|2,0,0]=4 28729 B11R2.157 COCCN1CC2CC2C1 34a_100000741873_100011201679 [0,0,0,2,0,0|2,0,0]=4 28730 B11R2.157 CSCCN1CC2CC2C1 2230a_100000741873_100000751147 [0,0,0,2,0,0|2,0,0]=4 28731 B11R2.157 CSCCN1CC2CC2C1 269982a_100000741873_100000212216 [0,0,0,2,0,0|2,0,0]=4 28732 B11R2.157 CSCCN1CC2CC2C1 34a_100000741873_100000212216 [0,0,0,2,0,0|2,0,0]=4 28733 B11R2.157 FCCCN1CC2CC2C1 2230a_100000741873_100011934791 [0,0,0,2,0,0|2,0,0]=4 28734 B11R2.157 FCCCN1CC2CC2C1 269982a_100000741873_100011934791 [0,0,0,2,0,0|2,0,0]=4 28735 B11R2.157 FCCCN1CC2CC2C1 34a_100000741873_100011934791 [0,0,0,2,0,0|2,0,0]=4 28736 B11R2.157 OCCCN1CC2CC2C1 2230a_100000741873_100000230001 [0,0,0,2,0,0|2,0,0]=4 28737 B11R2.157 OCCCN1CC2CC2C1 269982a_100000741873_100011215043 [0,0,0,2,0,0|2,0,0]=4 28738 B11R2.157 OCCCN1CC2CC2C1 34a_100000741873_100000230001 [0,0,0,2,0,0|2,0,0]=4 28739 B11R2.164 CCN1CC2CCC1CC2 2230a_100000750499_100000210202 [0,0,0,2,0,0|2,0,0]=4 28740 B11R2.164 CCN1CC2CCC1CC2 269982a_100000750499_100000204670 [0,0,0,2,0,0|2,0,0]=4 28741 B11R2.164 CCN1CC2CCC1CC2 34a_100000750499_100000210202 [0,0,0,2,0,0|2,0,0]=4 28742 B11R2.164 CN[C@H]1CN2CCC1CC2 2230a_100016987387_200000210301 [0,0,0,2,0,0|2,0,0]=4 28743 B11R2.164 [13CH3]N[C@H]1CN2CCC1CC2 2230a_100016987387_200025704644 [0,0,0,2,0,0|2,0,0]=4 28744 B11R2.238 C1CCC(CC1)NC2CC2 34a_100000182618_100000211595 [0,0,0,2,0,0|2,0,0]=4 28745 B11R2.238 C1CCC(CC1)NC2CC2 34a_100000212008_100000210327 [0,0,0,2,0,0|2,0,0]=4 28746 B11R2.238 C1CCC(CC1)OC2CC2 34a_100000210231_100000211595 [0,0,0,2,0,0|2,0,0]=4 28747 B11R2.238 C1CCC(CC1)SC2CC2 62a_100000210327_100000211595 [0,0,0,2,0,0|2,0,0]=4 28748 B11R2.238 C1CCC(OC1)OC2CC2 34a_100000033831_100000211595 [0,0,0,2,0,0|1,0,0]=3 28749 B11R2.238 C1CN(CCO1)CC2CC2 2230a_100015191051_100000742324 [0,0,0,2,0,0|2,0,0]=4 28750 B11R2.238 C1CN(CCO1)CC2CC2 269982a_100015191051_100000756562 [0,0,0,2,0,0|2,0,0]=4 28751 B11R2.238 C1CN(CCO1)CC2CC2 34a_100015191051_100000742324 [0,0,0,2,0,0|2,0,0]=4 28752 B11R2.238 C1CN(CCS1)CC2CC2 2230a_100000737611_100000742324 [0,0,0,2,0,0|2,0,0]=4 28753 B11R2.238 C1CN(CCS1)CC2CC2 269982a_100000737611_100000756562 [0,0,0,2,0,0|2,0,0]=4 28754 B11R2.238 C1COCN(C1)CC2CC2 2230a_100000131196_100000742324 [0,0,0,2,0,0|2,0,0]=4 28755 B11R2.238 C1COCN(C1)CC2CC2 269982a_100000131196_100000756562 [0,0,0,2,0,0|2,0,0]=4 28756 B11R2.238 C1COCN(C1)CC2CC2 34a_100000131196_100000742324 [0,0,0,2,0,0|2,0,0]=4 28757 B11R2.239 C1CC(C1)N2CCCOC2 269982a_100000131196_100000749161 [0,0,0,2,0,0|2,0,0]=4 28758 B11R2.239 C1CC(C1)N2CCCOC2 270004a_100000131196_100000241760 [0,0,0,2,0,0|2,0,0]=4 28759 B11R2.239 C1CC(C1)N2CCCOC2 34a_100000131196_100000749161 [0,0,0,2,0,0|2,0,0]=4 28760 B11R2.239 C1CC(C1)N2CCOCC2 269982a_100015191051_100000749161 [0,0,0,2,0,0|2,0,0]=4 28761 B11R2.239 C1CC(C1)N2CCOCC2 270004a_100015191051_100000241760 [0,0,0,2,0,0|2,0,0]=4 28762 B11R2.239 C1CC(C1)N2CCOCC2 34a_100015191051_100000749161 [0,0,0,2,0,0|2,0,0]=4 28763 B11R2.239 C1CC(C1)N2CCSCC2 269982a_100000737611_100000749161 [0,0,0,2,0,0|2,0,0]=4 28764 B11R2.239 C1CC(C1)N2CCSCC2 270004a_100000737611_100000241760 [0,0,0,2,0,0|2,0,0]=4 28765 B11R2.239 C1CCC(CC1)N2CCC2 269982a_100000754969_100000210327 [0,0,0,2,0,0|2,0,0]=4 28766 B11R2.927 CCCNC1CCC2C1C2 269862a_100020643023_100000692480 [0,0,0,2,0,0|2,0,0]=4 28767 B11R2.927 CCCNC1CCC2C1C2 270004a_100020643023_100000692480 [0,0,0,2,0,0|2,0,0]=4 28768 B11R2.927 CCCOC1CCC2C1C2 34a_200012295571_100000210303 [0,0,0,2,0,0|2,0,0]=4 28769 B11R2.2 C1CCC(C1)N2CCCC2 2230a_100000188435_100000179811 [0,0,0,2,0,0|1,0,0]=3 28770 B11R2.2 C1CCC(C1)N2CCCC2 269982a_100000188435_100000179811 [0,0,0,2,0,0|1,0,0]=3 28771 B11R2.2 C1CCC(C1)N2CCCC2 270004a_100000188435_100000210133 [0,0,0,2,0,0|1,0,0]=3 28772 B11R2.2 C1CCC(C1)N2CCSC2 2230a_100011215254_100000179811 [0,0,0,2,0,0|2,0,0]=4 28773 B11R2.2 C1CCC(C1)N2CCSC2 269982a_100011215254_100000179811 [0,0,0,2,0,0|2,0,0]=4 28774 B11R2.2 C1CCC(C1)N2CCSC2 270004a_100011215254_100000210133 [0,0,0,2,0,0|2,0,0]=4 28775 B11R2.2 C1CCN(C1)C2CCOC2 2230a_100000188435_100000731011 [0,0,0,2,0,0|2,0,0]=4 28776 B11R2.2 C1CCN(C1)C2CCOC2 269982a_100000188435_100000731011 [0,0,0,2,0,0|2,0,0]=4 28777 B11R2.2 C1CCN(C1)C2CCOC2 270004a_100000188435_100000752484 [0,0,0,2,0,0|2,0,0]=4 28778 B11R2.2 C1CCN(C1)C2CCSC2 270004a_100000188435_100000212027 [0,0,0,2,0,0|2,0,0]=4 28779 B11R2.5 F[C@@H]1C[C@H]1NC2CCCC2 2230a_100025746932_100000179811 [0,0,0,2,0,0|2,0,0]=4 28780 B11R2.5 F[C@@H]1C[C@H]1NC2CCCC2 34a_100025746932_100000179811 [0,0,0,2,0,0|2,0,0]=4 28781 B11R2.5 F[C@H]1C[C@H]1NC2CCCC2 2230a_100015190264_100000179811 [0,0,0,2,0,0|2,0,0]=4 28782 B11R2.7 CC1CCN1C2CCCC2 269982a_100000755817_100000179811 [0,0,0,2,0,0|1,0,0]=3 28783 B11R2.7 CC1CCN1C2CCCC2 34a_100000755817_100000179811 [0,0,0,2,0,0|1,0,0]=3 28784 B11R2.7 CC1CCN1C2CCOC2 269982a_100000755817_100000731011 [0,0,0,2,0,0|2,0,0]=4 28785 B11R2.7 CC1CCN1C2CCOC2 34a_100000755817_100000690089 [0,0,0,2,0,0|2,0,0]=4 28786 B11R2.237 C1CC(C1)CN2CCCC2 2230a_100000188435_100000763275 [0,0,0,2,0,0|1,0,0]=3 28787 B11R2.237 C1CC(C1)CN2CCCC2 269982a_100000188435_100000763275 [0,0,0,2,0,0|1,0,0]=3 28788 B11R2.237 C1CC(C1)CN2CCSC2 2230a_100011215254_100000763275 [0,0,0,2,0,0|2,0,0]=4 28789 B11R2.237 C1CC(C1)CN2CCSC2 269982a_100011215254_100000763275 [0,0,0,2,0,0|2,0,0]=4 28790 B11R2.237 C1CC(C1)NC2CCOC2 2230a_100000749019_100000731011 [0,0,0,2,0,0|2,0,0]=4 28791 B11R2.237 C1CC(C1)NC2CCOC2 34a_100000749019_100000690089 [0,0,0,2,0,0|2,0,0]=4 28792 B11R2.237 C1CC(C1)N[C@@H]2CCOC2 270004a_200015188469_100000241760 [0,0,0,2,0,0|2,0,0]=4 28793 B11R2.237 C1CC(C1)N[C@H]2CCOC2 270004a_100015188467_100000241760 [0,0,0,2,0,0|2,0,0]=4 28794 B11R2.237 C1CC(C1)N[C@H]2CCOC2 34a_100015188467_100000749161 [0,0,0,2,0,0|2,0,0]=4 28795 B11R2.237 C1CC(C1)OC2CCCO2 34a_100000085407_100000749161 [0,0,0,2,0,0|1,0,0]=3 28796 B11R2.237 C1CC(C1)OC2CCOC2 34a_100000748187_100000690089 [0,0,0,2,0,0|1,0,0]=3 28797 B11R2.237 C1CC(C1)O[C@H]2CCOC2 34a_100000717292_100000749161 [0,0,0,2,0,0|1,0,0]=3 28798 B11R2.237 C1CC(CO1)OC2CSC2 7a_100000072292_100000731011 [0,0,0,2,0,0|2,0,0]=4 28799 B11R2.237 C1CC(CS1)OC2COC2 7a_100011232664_100009818527 [0,0,0,2,0,0|2,0,0]=4 28800 B11R2.237 C1CCC(C1)CN2CCC2 269982a_100000754969_100000740388 [0,0,0,2,0,0|2,0,0]=4 28801 B11R2.237 C1CCC(C1)NC2CCC2 2230a_100000749019_100000179811 [0,0,0,2,0,0|1,0,0]=3 28802 B11R2.237 C1CCC(C1)NC2CCC2 270004a_100000211070_100000241760 [0,0,0,2,0,0|1,0,0]=3 28803 B11R2.237 C1CCC(C1)NC2CCC2 34a_100000211070_100000749161 [0,0,0,2,0,0|1,0,0]=3 28804 B11R2.237 C1CCC(C1)NC2CCC2 34a_100000749019_100000179811 [0,0,0,2,0,0|1,0,0]=3 28805 B11R2.237 C1CCC(C1)NC2COC2 2230a_100016991112_100000179811 [0,0,0,2,0,0|2,0,0]=4 28806 B11R2.237 C1CCC(C1)NC2COC2 270004a_100016991112_100000210133 [0,0,0,2,0,0|2,0,0]=4 28807 B11R2.237 C1CCC(C1)NC2COC2 34a_100000211070_100009818527 [0,0,0,2,0,0|2,0,0]=4 28808 B11R2.237 C1CCC(C1)NC2CSC2 270004a_100016994217_100000210133 [0,0,0,2,0,0|2,0,0]=4 28809 B11R2.237 C1CCC(C1)OC2CCC2 34a_100000210269_100000749161 [0,0,0,2,0,0|0,0,0]=2 28810 B11R2.237 C1CCC(C1)OC2CCC2 34a_100000748187_100000179811 [0,0,0,2,0,0|0,0,0]=2 28811 B11R2.237 C1CCC(C1)OC2COC2 34a_100000210269_100009818527 [0,0,0,2,0,0|1,0,0]=3 28812 B11R2.237 C1CCC(C1)OC2COC2 7a_100000210269_100009818527 [0,0,0,2,0,0|1,0,0]=3 28813 B11R2.237 C1CCC(C1)OC2CSC2 7a_100000072292_100000179811 [0,0,0,2,0,0|1,0,0]=3 28814 B11R2.237 C1CCC(C1)SC2CCC2 62a_100011217020_100000749161 [0,0,0,2,0,0|0,1,0]=3 28815 B11R2.237 C1CCC(C1)SC2COC2 62a_100011217020_100009818527 [0,0,0,2,0,0|1,1,0]=4 28816 B11R2.237 C1CCN(C1)CC2CCO2 2230a_100000188435_100000103362 [0,0,0,2,0,0|2,0,0]=4 28817 B11R2.237 C1CCN(C1)CC2CCO2 269982a_100000188435_100000103362 [0,0,0,2,0,0|2,0,0]=4 28818 B11R2.237 C1CCN(C1)CC2COC2 2230a_100000188435_100010264016 [0,0,0,2,0,0|2,0,0]=4 28819 B11R2.237 C1CCN(C1)CC2COC2 269982a_100000188435_100010264016 [0,0,0,2,0,0|2,0,0]=4 28820 B11R2.237 C1COC(C1)OC2COC2 34a_100000085407_100009818527 [0,0,0,2,0,0|2,0,0]=4 28821 B11R2.237 C1C[C@@H](CO1)OC2COC2 34a_100000717292_100009818527 [0,0,0,2,0,0|2,0,0]=4 28822 B11R2.385 C1CC(CO1)NCC2CC2 2230a_100000735609_100000731011 [0,0,0,2,0,0|2,0,0]=4 28823 B11R2.385 C1CC(CO1)NCC2CC2 270004a_100000735609_100000752484 [0,0,0,2,0,0|2,0,0]=4 28824 B11R2.385 C1CC(CO1)NCC2CC2 34a_100000735609_100000690089 [0,0,0,2,0,0|2,0,0]=4 28825 B11R2.385 C1CC(CO1)OCC2CC2 34a_100000211283_100000690089 [0,0,0,2,0,0|1,0,0]=3 28826 B11R2.385 C1CC(CO1)OC[C@@H]2CO2 34a_100000757423_100000690089 [0,0,0,2,0,0|2,0,0]=4 28827 B11R2.385 C1CC(CO1)SCC2CC2 62a_100000756562_100000690089 [0,0,0,2,0,0|1,1,0]=4 28828 B11R2.385 C1CC(CS1)NCC2CC2 270004a_100000735609_100000212027 [0,0,0,2,0,0|2,0,0]=4 28829 B11R2.385 C1CC(CS1)OCC2CC2 7a_100011232664_100000742324 [0,0,0,2,0,0|1,0,0]=3 28830 B11R2.385 C1CC(CS1)OCC2CO2 7a_100011232664_102125554688 [0,0,0,2,0,0|2,0,0]=4 28831 B11R2.385 C1CC(CS1)OCC2CS2 7a_100011232664_100000031435 [0,0,0,2,0,0|2,0,0]=4 28832 B11R2.385 C1CC(CS1)OC[C@@H]2CO2 7a_100011232664_100000745022 [0,0,0,2,0,0|2,0,0]=4 28833 B11R2.385 C1CCC(C1)CNC2CC2 34a_100000212008_100000740388 [0,0,0,2,0,0|2,0,0]=4 28834 B11R2.385 C1CCC(C1)CNC2CC2 34a_100000737975_100000211595 [0,0,0,2,0,0|2,0,0]=4 28835 B11R2.385 C1CCC(C1)COC2CC2 34a_100000742336_100000211595 [0,0,0,2,0,0|2,0,0]=4 28836 B11R2.385 C1CCC(C1)CSC2CC2 62a_100000740388_100000211595 [0,0,0,2,0,0|2,0,0]=4 28837 B11R2.385 C1CCC(C1)NCC2CC2 2230a_100000211070_100000742324 [0,0,0,2,0,0|1,0,0]=3 28838 B11R2.385 C1CCC(C1)NCC2CC2 2230a_100000735609_100000179811 [0,0,0,2,0,0|1,0,0]=3 28839 B11R2.385 C1CCC(C1)NCC2CC2 269862a_100000211070_100000741477 [0,0,0,2,0,0|1,0,0]=3 28840 B11R2.385 C1CCC(C1)NCC2CC2 270004a_100000735609_100000210133 [0,0,0,2,0,0|1,0,0]=3 28841 B11R2.385 C1CCC(C1)NCC2CC2 34a_100000211070_100000742324 [0,0,0,2,0,0|1,0,0]=3 28842 B11R2.385 C1CCC(C1)NCC2CC2 34a_100000735609_100000179811 [0,0,0,2,0,0|1,0,0]=3 28843 B11R2.385 C1CCC(C1)NCC2CO2 2230a_100000211070_100011216344 [0,0,0,2,0,0|2,0,0]=4 28844 B11R2.385 C1CCC(C1)NCC2CO2 34a_100000211070_102125554688 [0,0,0,2,0,0|2,0,0]=4 28845 B11R2.385 C1CCC(C1)OCC2CC2 34a_100000210269_100000742324 [0,0,0,2,0,0|0,0,0]=2 28846 B11R2.385 C1CCC(C1)OCC2CC2 34a_100000211283_100000179811 [0,0,0,2,0,0|0,0,0]=2 28847 B11R2.385 C1CCC(C1)OCC2CC2 7a_100000210269_100000742324 [0,0,0,2,0,0|0,0,0]=2 28848 B11R2.385 C1CCC(C1)OCC2CO2 34a_100000210269_102125554688 [0,0,0,2,0,0|1,0,0]=3 28849 B11R2.385 C1CCC(C1)OCC2CO2 7a_100000210269_102125554688 [0,0,0,2,0,0|1,0,0]=3 28850 B11R2.385 C1CCC(C1)OCC2CS2 7a_100000210269_100000031435 [0,0,0,2,0,0|1,0,0]=3 28851 B11R2.385 C1CCC(C1)OC[C@@H]2CO2 34a_100000757423_100000179811 [0,0,0,2,0,0|1,0,0]=3 28852 B11R2.385 C1CCC(C1)OC[C@@H]2CO2 7a_100000210269_100000745022 [0,0,0,2,0,0|1,0,0]=3 28853 B11R2.385 C1CCC(C1)SCC2CC2 62a_100000756562_100000179811 [0,0,0,2,0,0|0,1,0]=3 28854 B11R2.385 C1CCC(C1)SCC2CC2 62a_100011217020_100000742324 [0,0,0,2,0,0|0,1,0]=3 28855 B11R2.385 C1CCC(C1)SCC2CO2 62a_100011217020_102125554688 [0,0,0,2,0,0|1,1,0]=4 28856 B11R2.385 C1CCC(C1)SCC2CO2 62a_102125554688_100000179811 [0,0,0,2,0,0|1,1,0]=4 28857 B11R2.385 C1CCC(C1)SCC2CS2 62a_100000031435_100000179811 [0,0,0,2,0,0|1,1,0]=4 28858 B11R2.385 C1CCC(C1)SCC2CS2 62a_100011217020_100000031435 [0,0,0,2,0,0|1,1,0]=4 28859 B11R2.385 C1CCC(C1)SC[C@@H]2CO2 62a_100000745022_100000179811 [0,0,0,2,0,0|1,1,0]=4 28860 B11R2.385 C1CCC(C1)SC[C@@H]2CO2 62a_100011217020_100000745022 [0,0,0,2,0,0|1,1,0]=4 28861 B11R2.385 C1CCN(C1)CCC2CC2 2230a_100000188435_100000694398 [0,0,0,2,0,0|1,0,0]=3 28862 B11R2.385 C1CCN(C1)CCC2CC2 269982a_100000188435_100000694398 [0,0,0,2,0,0|1,0,0]=3 28863 B11R2.385 C1CCN(C1)CCC2CO2 2230a_100000188435_100000732470 [0,0,0,2,0,0|2,0,0]=4 28864 B11R2.385 C1CCN(C1)CCC2CO2 269982a_100000188435_100000732470 [0,0,0,2,0,0|2,0,0]=4 28865 B11R2.385 C1CN(CS1)CCC2CC2 2230a_100011215254_100000694398 [0,0,0,2,0,0|2,0,0]=4 28866 B11R2.385 C1CN(CS1)CCC2CC2 269982a_100011215254_100000694398 [0,0,0,2,0,0|2,0,0]=4 28867 B11R2.385 C1COC(C1)OCC2CC2 34a_100000085407_100000742324 [0,0,0,2,0,0|1,0,0]=3 28868 B11R2.385 C1COC(C1)OCC2CO2 34a_100000085407_102125554688 [0,0,0,2,0,0|2,0,0]=4 28869 B11R2.385 C1C[C@@H](CO1)NCC2CC2 2230a_100015188467_100000742324 [0,0,0,2,0,0|2,0,0]=4 28870 B11R2.385 C1C[C@@H](CO1)NCC2CC2 269862a_100015188467_100000741477 [0,0,0,2,0,0|2,0,0]=4 28871 B11R2.385 C1C[C@@H](CO1)NCC2CC2 34a_100015188467_100000742324 [0,0,0,2,0,0|2,0,0]=4 28872 B11R2.385 C1C[C@@H](CO1)OCC2CC2 34a_100000717292_100000742324 [0,0,0,2,0,0|1,0,0]=3 28873 B11R2.385 C1C[C@@H](CO1)OCC2CO2 34a_100000717292_102125554688 [0,0,0,2,0,0|2,0,0]=4 28874 B11R2.385 C1C[C@H](CO1)NCC2CC2 2230a_200015188469_100000742324 [0,0,0,2,0,0|2,0,0]=4 28875 B11R2.385 C1C[C@H](CO1)NCC2CC2 269862a_200015188469_100000741477 [0,0,0,2,0,0|2,0,0]=4 28876 B11R2.15 CCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000210202 [0,0,0,2,0,0|2,0,0]=4 28877 B11R2.15 CCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000204670 [0,0,0,2,0,0|2,0,0]=4 28878 B11R2.15 CCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000210202 [0,0,0,2,0,0|2,0,0]=4 28879 B11R2.115 CC1CCCC1OC2CC2 34a_100011216460_100000211595 [0,0,0,2,0,0|2,0,0]=4 28880 B11R2.115 CC1SCCN1CC2CC2 2230a_200011216479_100000742324 [0,0,0,2,0,0|2,0,0]=4 28881 B11R2.115 CC1SCCN1CC2CC2 269982a_200011216479_100000756562 [0,0,0,2,0,0|2,0,0]=4 28882 B11R2.115 CC1SCCN1CC2CC2 34a_200011216479_100000742324 [0,0,0,2,0,0|2,0,0]=4 28883 B11R2.115 C[C@@H]1CCCN1CC2CC2 2230a_100015189458_100000742324 [0,0,0,2,0,0|1,0,0]=3 28884 B11R2.115 C[C@@H]1CCCN1CC2CC2 269982a_100015189458_100000756562 [0,0,0,2,0,0|1,0,0]=3 28885 B11R2.115 C[C@@H]1CCCN1CC2CC2 34a_100015189458_100000742324 [0,0,0,2,0,0|1,0,0]=3 28886 B11R2.115 C[C@@H]1CCCN1CC2CO2 2230a_100015189458_100011216344 [0,0,0,2,0,0|2,0,0]=4 28887 B11R2.115 C[C@@H]1CCCN1CC2CO2 269982a_100015189458_102125554688 [0,0,0,2,0,0|2,0,0]=4 28888 B11R2.115 C[C@@H]1CCCN1CC2CO2 34a_100015189458_102125554688 [0,0,0,2,0,0|2,0,0]=4 28889 B11R2.115 C[C@@H]1CCCN1CC2CS2 269982a_100015189458_100000031435 [0,0,0,2,0,0|2,0,0]=4 28890 B11R2.115 C[C@@H]1CCCN1C[C@@H]2CO2 269982a_100015189458_100000745022 [0,0,0,2,0,0|2,0,0]=4 28891 B11R2.115 C[C@H]1CCCN1CC2CC2 2230a_100020605311_100000742324 [0,0,0,2,0,0|1,0,0]=3 28892 B11R2.115 C[C@H]1CCCN1CC2CC2 269982a_100020605311_100000756562 [0,0,0,2,0,0|1,0,0]=3 28893 B11R2.115 C[C@H]1CCCN1CC2CO2 2230a_100020605311_100011216344 [0,0,0,2,0,0|2,0,0]=4 28894 B11R2.115 C[C@H]1CCCN1CC2CO2 269982a_100020605311_102125554688 [0,0,0,2,0,0|2,0,0]=4 28895 B11R2.115 C[C@H]1CCCN1CC2CS2 269982a_100020605311_100000031435 [0,0,0,2,0,0|2,0,0]=4 28896 B11R2.115 C[C@H]1CCCN1C[C@@H]2CO2 269982a_100020605311_100000745022 [0,0,0,2,0,0|2,0,0]=4 28897 B11R2.459 CC1SCCN1C2CCC2 269982a_200011216479_100000749161 [0,0,0,2,0,0|2,0,0]=4 28898 B11R2.459 CC1SCCN1C2CCC2 270004a_200011216479_100000241760 [0,0,0,2,0,0|2,0,0]=4 28899 B11R2.459 CC1SCCN1C2CCC2 34a_200011216479_100000749161 [0,0,0,2,0,0|2,0,0]=4 28900 B11R2.459 C[C@@H]1CCCN1C2CCC2 269982a_100015189458_100000749161 [0,0,0,2,0,0|1,0,0]=3 28901 B11R2.459 C[C@@H]1CCCN1C2CCC2 270004a_100015189458_100000241760 [0,0,0,2,0,0|1,0,0]=3 28902 B11R2.459 C[C@@H]1CCCN1C2CCC2 34a_100015189458_100000749161 [0,0,0,2,0,0|1,0,0]=3 28903 B11R2.459 C[C@@H]1CCCN1C2COC2 269982a_100015189458_100000687716 [0,0,0,2,0,0|2,0,0]=4 28904 B11R2.459 C[C@@H]1CCCN1C2COC2 34a_100015189458_100009818527 [0,0,0,2,0,0|2,0,0]=4 28905 B11R2.459 C[C@H]1CCCN1C2CCC2 269982a_100020605311_100000749161 [0,0,0,2,0,0|1,0,0]=3 28906 B11R2.459 C[C@H]1CCCN1C2CCC2 270004a_100020605311_100000241760 [0,0,0,2,0,0|1,0,0]=3 28907 B11R2.459 C[C@H]1CCCN1C2COC2 269982a_100020605311_100000687716 [0,0,0,2,0,0|2,0,0]=4 28908 B11R2.362 CC1CCN1CCC2CC2 269982a_100000755817_100000694398 [0,0,0,2,0,0|1,0,0]=3 28909 B11R2.362 CC1CCN1CCC2CC2 34a_100000755817_100000694398 [0,0,0,2,0,0|1,0,0]=3 28910 B11R2.362 CC1CCN1CCC2CO2 269982a_100000755817_100000732470 [0,0,0,2,0,0|2,0,0]=4 28911 B11R2.362 CC1CCN1CCC2CO2 34a_100000755817_100000732470 [0,0,0,2,0,0|2,0,0]=4 28912 B11R2.362 O=C1CCC1OCC2CC2 34a_100000211283_100009892977 [0,0,0,2,0,0|1,0,1]=4 28913 B11R2.512 CC1CCN1CC2CCC2 269982a_100000755817_100000763275 [0,0,0,2,0,0|1,0,0]=3 28914 B11R2.512 CC1CCN1CC2CCC2 34a_100000755817_100000763275 [0,0,0,2,0,0|1,0,0]=3 28915 B11R2.512 CC1CCN1CC2CCO2 269982a_100000755817_100000103362 [0,0,0,2,0,0|2,0,0]=4 28916 B11R2.512 CC1CCN1CC2CCO2 34a_100000755817_100000103362 [0,0,0,2,0,0|2,0,0]=4 28917 B11R2.512 CC1CCN1CC2COC2 269982a_100000755817_100010264016 [0,0,0,2,0,0|2,0,0]=4 28918 B11R2.512 CC1CCN1CC2COC2 34a_100000755817_100010264016 [0,0,0,2,0,0|2,0,0]=4 28919 B11R2.512 O=C1CCC1OC2CCC2 34a_100000748187_100009892977 [0,0,0,2,0,0|1,0,1]=4 28920 B11R2.444 CC1CC1COCC2CC2 34a_100000744939_100000742324 [0,0,0,2,0,0|0,0,0]=2 28921 B11R2.444 CC1CC1COCC2CC2 7a_100000744939_100000742324 [0,0,0,2,0,0|0,0,0]=2 28922 B11R2.444 CC1CC1COCC2CO2 34a_100000744939_102125554688 [0,0,0,2,0,0|1,0,0]=3 28923 B11R2.444 CC1CC1COCC2CO2 7a_100000744939_102125554688 [0,0,0,2,0,0|1,0,0]=3 28924 B11R2.444 CC1CC1COCC2CS2 7a_100000744939_100000031435 [0,0,0,2,0,0|1,0,0]=3 28925 B11R2.444 CC1CC1COC[C@@H]2CO2 7a_100000744939_100000745022 [0,0,0,2,0,0|1,0,0]=3 28926 B11R2.444 F[C@@H]1C[C@H]1NCCC2CC2 2230a_100025746932_100000694398 [0,0,0,2,0,0|2,0,0]=4 28927 B11R2.444 F[C@@H]1C[C@H]1NCCC2CC2 34a_100025746932_100000694398 [0,0,0,2,0,0|2,0,0]=4 28928 B11R2.444 F[C@H]1C[C@H]1NCCC2CC2 2230a_100015190264_100000694398 [0,0,0,2,0,0|2,0,0]=4 28929 B11R2.774 CC1CC1COC2CCC2 34a_100000744939_100000749161 [0,0,0,2,0,0|0,0,0]=2 28930 B11R2.774 CC1CC1COC2COC2 34a_100000744939_100009818527 [0,0,0,2,0,0|1,0,0]=3 28931 B11R2.774 CC1CC1COC2COC2 7a_100000744939_100009818527 [0,0,0,2,0,0|1,0,0]=3 28932 B11R2.774 F[C@@H]1C[C@H]1NCC2CCC2 2230a_100025746932_100000763275 [0,0,0,2,0,0|2,0,0]=4 28933 B11R2.774 F[C@@H]1C[C@H]1NCC2CCC2 34a_100025746932_100000763275 [0,0,0,2,0,0|2,0,0]=4 28934 B11R2.774 F[C@H]1C[C@H]1NCC2CCC2 2230a_100015190264_100000763275 [0,0,0,2,0,0|2,0,0]=4 28935 B11R2.384 C1CC(C1)CNC2CCC2 2230a_100000749019_100000763275 [0,0,0,2,0,0|1,0,0]=3 28936 B11R2.384 C1CC(C1)CNC2CCC2 269862a_100000749019_100000753134 [0,0,0,2,0,0|1,0,0]=3 28937 B11R2.384 C1CC(C1)CNC2CCC2 270004a_100000738700_100000241760 [0,0,0,2,0,0|1,0,0]=3 28938 B11R2.384 C1CC(C1)CNC2CCC2 34a_100000738700_100000749161 [0,0,0,2,0,0|1,0,0]=3 28939 B11R2.384 C1CC(C1)CNC2CCC2 34a_100000749019_100000763275 [0,0,0,2,0,0|1,0,0]=3 28940 B11R2.384 C1CC(C1)CNC2COC2 2230a_100016991112_100000763275 [0,0,0,2,0,0|2,0,0]=4 28941 B11R2.384 C1CC(C1)CNC2COC2 269862a_100016991112_100000753134 [0,0,0,2,0,0|2,0,0]=4 28942 B11R2.384 C1CC(C1)CNC2COC2 34a_100000738700_100009818527 [0,0,0,2,0,0|2,0,0]=4 28943 B11R2.384 C1CC(C1)CNC2CSC2 269862a_100016994217_100000753134 [0,0,0,2,0,0|2,0,0]=4 28944 B11R2.384 C1CC(C1)COC2CCC2 34a_100000748187_100000763275 [0,0,0,2,0,0|0,0,0]=2 28945 B11R2.384 C1CC(C1)COC2CCC2 34a_100000760304_100000749161 [0,0,0,2,0,0|0,0,0]=2 28946 B11R2.384 C1CC(C1)COC2COC2 34a_100000760304_100009818527 [0,0,0,2,0,0|1,0,0]=3 28947 B11R2.384 C1CC(C1)COC2CSC2 7a_100000072292_100000763275 [0,0,0,2,0,0|1,0,0]=3 28948 B11R2.384 C1CC(C1)CSC2CCC2 62a_100000763275_100000749161 [0,0,0,2,0,0|0,1,0]=3 28949 B11R2.384 C1CC(C1)CSC2COC2 62a_100000763275_100009818527 [0,0,0,2,0,0|1,1,0]=4 28950 B11R2.384 C1CC(C1)NCC2CCO2 2230a_100000749019_100000103362 [0,0,0,2,0,0|2,0,0]=4 28951 B11R2.384 C1CC(C1)NCC2CCO2 34a_100000749019_100000103362 [0,0,0,2,0,0|2,0,0]=4 28952 B11R2.384 C1CC(C1)NCC2COC2 2230a_100000749019_100010264016 [0,0,0,2,0,0|2,0,0]=4 28953 B11R2.384 C1CC(C1)NCC2COC2 270004a_100015281925_100000241760 [0,0,0,2,0,0|2,0,0]=4 28954 B11R2.384 C1CC(C1)NCC2COC2 34a_100000749019_100010264016 [0,0,0,2,0,0|2,0,0]=4 28955 B11R2.384 C1CC(C1)NCC2COC2 34a_100015281925_100000749161 [0,0,0,2,0,0|2,0,0]=4 28956 B11R2.384 C1CC(C1)NC[C@@H]2CCO2 270004a_100020831831_100000241760 [0,0,0,2,0,0|2,0,0]=4 28957 B11R2.384 C1CC(C1)NC[C@@H]2CCO2 34a_100020831831_100000749161 [0,0,0,2,0,0|2,0,0]=4 28958 B11R2.384 C1CC(C1)OCC2CCO2 34a_100000039022_100000749161 [0,0,0,2,0,0|1,0,0]=3 28959 B11R2.384 C1CC(C1)OCC2CCO2 34a_100000748187_100000103362 [0,0,0,2,0,0|1,0,0]=3 28960 B11R2.384 C1CC(C1)OCC2CNC2 34a_100016987283_100000749161 [0,0,0,2,0,0|1,0,0]=3 28961 B11R2.384 C1CC(C1)OCC2COC2 34a_100000060846_100000749161 [0,0,0,2,0,0|1,0,0]=3 28962 B11R2.384 C1CC(C1)OCC2COC2 34a_100000748187_100010264016 [0,0,0,2,0,0|1,0,0]=3 28963 B11R2.384 C1CC(C1)SCC2CCO2 62a_100000103362_100000749161 [0,0,0,2,0,0|1,1,0]=4 28964 B11R2.384 C1CC(C1)SCC2COC2 62a_100010264016_100000749161 [0,0,0,2,0,0|1,1,0]=4 28965 B11R2.384 C1CC(O1)COC2COC2 34a_100000039022_100009818527 [0,0,0,2,0,0|2,0,0]=4 28966 B11R2.384 C1CC(O1)COC2CSC2 7a_100000072292_100000103362 [0,0,0,2,0,0|2,0,0]=4 28967 B11R2.384 C1NCC1COC2COC2 34a_100016987283_100009818527 [0,0,0,2,0,0|2,0,0]=4 28968 B11R2.384 C1OCC1COC2COC2 34a_100000060846_100009818527 [0,0,0,2,0,0|2,0,0]=4 28969 B11R2.384 C1OCC1COC2CSC2 7a_100000072292_100010264016 [0,0,0,2,0,0|2,0,0]=4 28970 B11R2.1039 C(CC1CC1)NC2COC2 2230a_100016991112_100000694398 [0,0,0,2,0,0|2,0,0]=4 28971 B11R2.1039 C(CC1CC1)NC2COC2 34a_100000764129_100009818527 [0,0,0,2,0,0|2,0,0]=4 28972 B11R2.1039 C(CC1CC1)OC2COC2 34a_100000754188_100009818527 [0,0,0,2,0,0|1,0,0]=3 28973 B11R2.1039 C(CC1CC1)OC2COC2 7a_100000754188_100009818527 [0,0,0,2,0,0|1,0,0]=3 28974 B11R2.1039 C(CC1CC1)OC2CSC2 7a_100000072292_100000764125 [0,0,0,2,0,0|1,0,0]=3 28975 B11R2.1039 C(CC1CC1)SC2COC2 62a_100000764125_100009818527 [0,0,0,2,0,0|1,1,0]=4 28976 B11R2.1039 C(CC1CO1)OC2CSC2 7a_100000072292_100000732470 [0,0,0,2,0,0|2,0,0]=4 28977 B11R2.1039 C(C[C@@H]1CO1)OC2COC2 34a_100009820653_100009818527 [0,0,0,2,0,0|2,0,0]=4 28978 B11R2.1039 C1CC(C1)CNCC2CC2 2230a_100000735609_100000763275 [0,0,0,2,0,0|1,0,0]=3 28979 B11R2.1039 C1CC(C1)CNCC2CC2 2230a_100000738700_100000742324 [0,0,0,2,0,0|1,0,0]=3 28980 B11R2.1039 C1CC(C1)CNCC2CC2 269862a_100000738700_100000741477 [0,0,0,2,0,0|1,0,0]=3 28981 B11R2.1039 C1CC(C1)CNCC2CC2 34a_100000735609_100000763275 [0,0,0,2,0,0|1,0,0]=3 28982 B11R2.1039 C1CC(C1)CNCC2CC2 34a_100000738700_100000742324 [0,0,0,2,0,0|1,0,0]=3 28983 B11R2.1039 C1CC(C1)CNCC2CO2 2230a_100000738700_100011216344 [0,0,0,2,0,0|2,0,0]=4 28984 B11R2.1039 C1CC(C1)CNCC2CO2 34a_100000738700_102125554688 [0,0,0,2,0,0|2,0,0]=4 28985 B11R2.1039 C1CC(C1)COCC2CC2 34a_100000211283_100000763275 [0,0,0,2,0,0|0,0,0]=2 28986 B11R2.1039 C1CC(C1)COCC2CC2 34a_100000760304_100000742324 [0,0,0,2,0,0|0,0,0]=2 28987 B11R2.1039 C1CC(C1)COCC2CO2 34a_100000760304_102125554688 [0,0,0,2,0,0|1,0,0]=3 28988 B11R2.1039 C1CC(C1)COC[C@@H]2CO2 34a_100000757423_100000763275 [0,0,0,2,0,0|1,0,0]=3 28989 B11R2.1039 C1CC(C1)CSCC2CC2 62a_100000756562_100000763275 [0,0,0,2,0,0|0,1,0]=3 28990 B11R2.1039 C1CC(C1)CSCC2CC2 62a_100000763275_100000742324 [0,0,0,2,0,0|0,1,0]=3 28991 B11R2.1039 C1CC(C1)CSCC2CO2 62a_100000763275_102125554688 [0,0,0,2,0,0|1,1,0]=4 28992 B11R2.1039 C1CC(C1)CSCC2CO2 62a_102125554688_100000763275 [0,0,0,2,0,0|1,1,0]=4 28993 B11R2.1039 C1CC(C1)CSCC2CS2 62a_100000031435_100000763275 [0,0,0,2,0,0|1,1,0]=4 28994 B11R2.1039 C1CC(C1)CSCC2CS2 62a_100000763275_100000031435 [0,0,0,2,0,0|1,1,0]=4 28995 B11R2.1039 C1CC(C1)CSC[C@@H]2CO2 62a_100000745022_100000763275 [0,0,0,2,0,0|1,1,0]=4 28996 B11R2.1039 C1CC(C1)CSC[C@@H]2CO2 62a_100000763275_100000745022 [0,0,0,2,0,0|1,1,0]=4 28997 B11R2.1039 C1CC(C1)NCCC2CC2 2230a_100000749019_100000694398 [0,0,0,2,0,0|1,0,0]=3 28998 B11R2.1039 C1CC(C1)NCCC2CC2 270004a_100000764129_100000241760 [0,0,0,2,0,0|1,0,0]=3 28999 B11R2.1039 C1CC(C1)NCCC2CC2 34a_100000749019_100000694398 [0,0,0,2,0,0|1,0,0]=3 29000 B11R2.1039 C1CC(C1)NCCC2CC2 34a_100000764129_100000749161 [0,0,0,2,0,0|1,0,0]=3 29001 B11R2.1039 C1CC(C1)NCCC2CO2 2230a_100000749019_100000732470 [0,0,0,2,0,0|2,0,0]=4 29002 B11R2.1039 C1CC(C1)NCCC2CO2 34a_100000749019_100000732470 [0,0,0,2,0,0|2,0,0]=4 29003 B11R2.1039 C1CC(C1)OCCC2CC2 34a_100000748187_100000694398 [0,0,0,2,0,0|0,0,0]=2 29004 B11R2.1039 C1CC(C1)OCCC2CC2 34a_100000754188_100000749161 [0,0,0,2,0,0|0,0,0]=2 29005 B11R2.1039 C1CC(C1)OCCC2CO2 34a_100000748187_100000732470 [0,0,0,2,0,0|1,0,0]=3 29006 B11R2.1039 C1CC(C1)OCC[C@@H]2CO2 34a_100009820653_100000749161 [0,0,0,2,0,0|1,0,0]=3 29007 B11R2.1039 C1CC(C1)SCCC2CC2 62a_100000764125_100000749161 [0,0,0,2,0,0|0,1,0]=3 29008 B11R2.1039 C1CC(C1)SCCC2CO2 62a_100000732470_100000749161 [0,0,0,2,0,0|1,1,0]=4 29009 B11R2.1039 C1CC(O1)CNCC2CC2 2230a_100000735609_100000103362 [0,0,0,2,0,0|2,0,0]=4 29010 B11R2.1039 C1CC(O1)CNCC2CC2 34a_100000735609_100000103362 [0,0,0,2,0,0|2,0,0]=4 29011 B11R2.1039 C1CC(O1)COCC2CC2 34a_100000039022_100000742324 [0,0,0,2,0,0|1,0,0]=3 29012 B11R2.1039 C1CC(O1)COCC2CC2 34a_100000211283_100000103362 [0,0,0,2,0,0|1,0,0]=3 29013 B11R2.1039 C1CC(O1)COCC2CO2 34a_100000039022_102125554688 [0,0,0,2,0,0|2,0,0]=4 29014 B11R2.1039 C1CC(O1)COC[C@@H]2CO2 34a_100000757423_100000103362 [0,0,0,2,0,0|2,0,0]=4 29015 B11R2.1039 C1CC(O1)CSCC2CC2 62a_100000103362_100000742324 [0,0,0,2,0,0|1,1,0]=4 29016 B11R2.1039 C1CC(O1)CSCC2CC2 62a_100000756562_100000103362 [0,0,0,2,0,0|1,1,0]=4 29017 B11R2.1039 C1CC1CNCC2COC2 2230a_100000735609_100010264016 [0,0,0,2,0,0|2,0,0]=4 29018 B11R2.1039 C1CC1CNCC2COC2 2230a_100015281925_100000742324 [0,0,0,2,0,0|2,0,0]=4 29019 B11R2.1039 C1CC1CNCC2COC2 269862a_100015281925_100000741477 [0,0,0,2,0,0|2,0,0]=4 29020 B11R2.1039 C1CC1CNCC2COC2 34a_100000735609_100010264016 [0,0,0,2,0,0|2,0,0]=4 29021 B11R2.1039 C1CC1CNCC2COC2 34a_100015281925_100000742324 [0,0,0,2,0,0|2,0,0]=4 29022 B11R2.1039 C1CC1COCC2CNC2 34a_100016987283_100000742324 [0,0,0,2,0,0|1,0,0]=3 29023 B11R2.1039 C1CC1COCC2COC2 34a_100000060846_100000742324 [0,0,0,2,0,0|1,0,0]=3 29024 B11R2.1039 C1CC1COCC2COC2 34a_100000211283_100010264016 [0,0,0,2,0,0|1,0,0]=3 29025 B11R2.1039 C1CC1CSCC2COC2 62a_100000756562_100010264016 [0,0,0,2,0,0|1,1,0]=4 29026 B11R2.1039 C1CC1CSCC2COC2 62a_100010264016_100000742324 [0,0,0,2,0,0|1,1,0]=4 29027 B11R2.1039 C1C[C@H](O1)CNCC2CC2 2230a_100020831831_100000742324 [0,0,0,2,0,0|2,0,0]=4 29028 B11R2.1039 C1C[C@H](O1)CNCC2CC2 269862a_100020831831_100000741477 [0,0,0,2,0,0|2,0,0]=4 29029 B11R2.1039 C1C[C@H](O1)CNCC2CC2 34a_100020831831_100000742324 [0,0,0,2,0,0|2,0,0]=4 29030 B11R2.1039 C1NCC1COCC2CO2 34a_100016987283_102125554688 [0,0,0,2,0,0|2,0,0]=4 29031 B11R2.1039 C1OCC1COCC2CO2 34a_100000060846_102125554688 [0,0,0,2,0,0|2,0,0]=4 29032 B11R2.1039 C1OCC1COC[C@@H]2CO2 34a_100000757423_100010264016 [0,0,0,2,0,0|2,0,0]=4 29033 B11R2.1036 C1CCCN(CC1)C2CC2 269982a_100000185865_100000211595 [0,0,0,2,0,0|2,0,0]=4 29034 B11R2.1036 C1CCCN(CC1)C2CC2 34a_100000185865_100000211595 [0,0,0,2,0,0|2,0,0]=4 29035 B11R2.1034 C(CC1CC1)NCC2CC2 2230a_100000735609_100000694398 [0,0,0,2,0,0|1,0,0]=3 29036 B11R2.1034 C(CC1CC1)NCC2CC2 269862a_100000764129_100000741477 [0,0,0,2,0,0|1,0,0]=3 29037 B11R2.1034 C(CC1CC1)NCC2CC2 34a_100000735609_100000694398 [0,0,0,2,0,0|1,0,0]=3 29038 B11R2.1034 C(CC1CC1)NCC2CC2 34a_100000764129_100000742324 [0,0,0,2,0,0|1,0,0]=3 29039 B11R2.1034 C(CC1CC1)NCC2CO2 34a_100000764129_102125554688 [0,0,0,2,0,0|2,0,0]=4 29040 B11R2.1034 C(CC1CC1)OCC2CC2 34a_100000211283_100000694398 [0,0,0,2,0,0|0,0,0]=2 29041 B11R2.1034 C(CC1CC1)OCC2CC2 34a_100000754188_100000742324 [0,0,0,2,0,0|0,0,0]=2 29042 B11R2.1034 C(CC1CC1)OCC2CC2 7a_100000754188_100000742324 [0,0,0,2,0,0|0,0,0]=2 29043 B11R2.1034 C(CC1CC1)OCC2CO2 34a_100000754188_102125554688 [0,0,0,2,0,0|1,0,0]=3 29044 B11R2.1034 C(CC1CC1)OCC2CO2 7a_100000754188_102125554688 [0,0,0,2,0,0|1,0,0]=3 29045 B11R2.1034 C(CC1CC1)OCC2CS2 7a_100000754188_100000031435 [0,0,0,2,0,0|1,0,0]=3 29046 B11R2.1034 C(CC1CC1)OC[C@@H]2CO2 34a_100000757423_100000694398 [0,0,0,2,0,0|1,0,0]=3 29047 B11R2.1034 C(CC1CC1)OC[C@@H]2CO2 7a_100000754188_100000745022 [0,0,0,2,0,0|1,0,0]=3 29048 B11R2.1034 C(CC1CC1)SCC2CC2 62a_100000756562_100000764125 [0,0,0,2,0,0|0,1,0]=3 29049 B11R2.1034 C(CC1CC1)SCC2CC2 62a_100000764125_100000742324 [0,0,0,2,0,0|0,1,0]=3 29050 B11R2.1034 C(CC1CC1)SCC2CO2 62a_100000764125_102125554688 [0,0,0,2,0,0|1,1,0]=4 29051 B11R2.1034 C(CC1CC1)SCC2CO2 62a_102125554688_100000764125 [0,0,0,2,0,0|1,1,0]=4 29052 B11R2.1034 C(CC1CC1)SCC2CS2 62a_100000031435_100000764125 [0,0,0,2,0,0|1,1,0]=4 29053 B11R2.1034 C(CC1CC1)SCC2CS2 62a_100000764125_100000031435 [0,0,0,2,0,0|1,1,0]=4 29054 B11R2.1034 C(CC1CC1)SC[C@@H]2CO2 62a_100000745022_100000764125 [0,0,0,2,0,0|1,1,0]=4 29055 B11R2.1034 C(CC1CC1)SC[C@@H]2CO2 62a_100000764125_100000745022 [0,0,0,2,0,0|1,1,0]=4 29056 B11R2.1034 C(CC1CO1)NCC2CC2 2230a_100000735609_100000732470 [0,0,0,2,0,0|2,0,0]=4 29057 B11R2.1034 C(CC1CO1)NCC2CC2 34a_100000735609_100000732470 [0,0,0,2,0,0|2,0,0]=4 29058 B11R2.1034 C(CC1CO1)OCC2CC2 34a_100000211283_100000732470 [0,0,0,2,0,0|1,0,0]=3 29059 B11R2.1034 C(CC1CO1)OC[C@@H]2CO2 34a_100000757423_100000732470 [0,0,0,2,0,0|2,0,0]=4 29060 B11R2.1034 C(CC1CO1)SCC2CC2 62a_100000732470_100000742324 [0,0,0,2,0,0|1,1,0]=4 29061 B11R2.1034 C(CC1CO1)SCC2CC2 62a_100000756562_100000732470 [0,0,0,2,0,0|1,1,0]=4 29062 B11R2.1034 C(C[C@@H]1CO1)OCC2CC2 34a_100009820653_100000742324 [0,0,0,2,0,0|1,0,0]=3 29063 B11R2.1034 C(C[C@@H]1CO1)OCC2CO2 34a_100009820653_102125554688 [0,0,0,2,0,0|2,0,0]=4 29064 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [3,0,0,0,0,0|1,0,0]=4 29065 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [3,0,0,0,0,0|1,0,0]=4 29066 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [3,0,0,0,0,0|1,0,0]=4 29067 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [3,0,0,0,0,0|1,0,0]=4 29068 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [3,0,0,0,0,0|1,0,0]=4 29069 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [3,0,0,0,0,0|0,0,0]=3 29070 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [3,0,0,0,0,0|0,0,0]=3 29071 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [3,0,0,0,0,0|0,0,0]=3 29072 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [3,0,0,0,0,0|0,0,0]=3 29073 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [3,0,0,0,0,0|0,0,0]=3 29074 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [3,0,0,0,0,0|0,1,0]=4 29075 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [3,0,0,0,0,0|0,1,0]=4 29076 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [3,0,0,0,0,0|0,1,0]=4 29077 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [3,0,0,0,0,0|0,1,0]=4 29078 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [3,0,0,0,0,0|1,0,0]=4 29079 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [3,0,0,0,0,0|1,0,0]=4 29080 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [3,0,0,0,0,0|1,0,0]=4 29081 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [3,0,0,0,0,0|0,0,0]=3 29082 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [3,0,0,0,0,0|0,0,0]=3 29083 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [3,0,0,0,0,0|0,0,0]=3 29084 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [3,0,0,0,0,0|1,0,0]=4 29085 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [3,0,0,0,0,0|1,0,0]=4 29086 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [3,0,0,0,0,0|0,1,0]=4 29087 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [3,0,0,0,0,0|0,1,0]=4 29088 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [3,0,0,0,0,0|1,0,0]=4 29089 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [3,0,0,0,0,0|0,0,0]=3 29090 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [3,0,0,0,0,0|1,0,0]=4 29091 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [3,0,0,0,0,0|1,0,0]=4 29092 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [3,0,0,0,0,0|1,0,0]=4 29093 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [3,0,0,0,0,0|1,0,0]=4 29094 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [3,0,0,0,0,0|0,1,0]=4 29095 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [3,0,0,0,0,0|1,0,0]=4 29096 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [3,0,0,0,0,0|1,0,0]=4 29097 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [3,0,0,0,0,0|1,0,0]=4 29098 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [3,0,0,0,0,0|1,0,0]=4 29099 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [3,0,0,0,0,0|1,0,0]=4 29100 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [3,0,0,0,0,0|1,0,0]=4 29101 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [3,0,0,0,0,0|1,0,0]=4 29102 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [3,0,0,0,0,0|1,0,0]=4 29103 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [3,0,0,0,0,0|1,0,0]=4 29104 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [3,0,0,0,0,0|1,0,0]=4 29105 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [3,0,0,0,0,0|1,0,0]=4 29106 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [3,0,0,0,0,0|1,0,0]=4 29107 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [3,0,0,0,0,0|1,0,0]=4 29108 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [3,0,0,0,0,0|1,0,0]=4 29109 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [3,0,0,0,0,0|1,0,0]=4 29110 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [3,0,0,0,0,0|1,0,0]=4 29111 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [3,0,0,0,0,0|1,0,0]=4 29112 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [3,0,0,0,0,0|1,0,0]=4 29113 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [3,0,0,0,0,0|1,0,0]=4 29114 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [3,0,0,0,0,0|1,0,0]=4 29115 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [3,0,0,0,0,0|1,0,0]=4 29116 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [3,0,0,0,0,0|1,0,0]=4 29117 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [3,0,0,0,0,0|1,0,0]=4 29118 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [3,0,0,0,0,0|1,0,0]=4 29119 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [3,0,0,0,0,0|1,0,0]=4 29120 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [3,0,0,0,0,0|1,0,0]=4 29121 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [3,0,0,0,0,0|1,0,0]=4 29122 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [3,0,0,0,0,0|1,0,0]=4 29123 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [3,0,0,0,0,0|1,0,0]=4 29124 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [3,0,0,0,0,0|1,0,0]=4 29125 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [3,0,0,0,0,0|1,0,0]=4 29126 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [3,0,0,0,0,0|1,0,0]=4 29127 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [3,0,0,0,0,0|1,0,0]=4 29128 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [3,0,0,0,0,0|1,0,0]=4 29129 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [3,0,0,0,0,0|1,0,0]=4 29130 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [3,0,0,0,0,0|1,0,0]=4 29131 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [3,0,0,0,0,0|1,0,0]=4 29132 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [3,0,0,0,0,0|1,0,0]=4 29133 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [3,0,0,0,0,0|1,0,0]=4 29134 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [3,0,0,0,0,0|1,0,0]=4 29135 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [3,0,0,0,0,0|1,0,0]=4 29136 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [3,0,0,0,0,0|1,0,0]=4 29137 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [3,0,0,0,0,0|1,0,0]=4 29138 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [3,0,0,0,0,0|1,0,0]=4 29139 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [3,0,0,0,0,0|1,0,0]=4 29140 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [3,0,0,0,0,0|1,0,0]=4 29141 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [3,0,0,0,0,0|1,0,0]=4 29142 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [3,0,0,0,0,0|1,0,0]=4 29143 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [3,0,0,0,0,0|1,0,0]=4 29144 B6R0.6 COCCCCF 34a_100011995726_200000210301 [3,0,0,0,0,0|1,0,0]=4 29145 B6R0.6 COCCCCF 34a_100138415774_100000729493 [3,0,0,0,0,0|1,0,0]=4 29146 B6R0.6 COCCCCF 7a_100011995726_200000210301 [3,0,0,0,0,0|1,0,0]=4 29147 B6R0.6 COCCCCI 34a_200012148704_200000210301 [3,0,0,0,0,0|1,0,0]=4 29148 B6R0.6 COCCCCN 34a_100000750430_200000210301 [3,0,0,0,0,0|1,0,0]=4 29149 B6R0.6 COCCCCO 34a_100138415774_100011216708 [3,0,0,0,0,0|1,0,0]=4 29150 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [3,0,0,0,0,0|1,0,0]=4 29151 B6R0.6 COCCCOC 34a_100000740835_200000210301 [3,0,0,0,0,0|1,0,0]=4 29152 B6R0.6 COCCCOC 34a_100138415774_100000740836 [3,0,0,0,0,0|1,0,0]=4 29153 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [3,0,0,0,0,0|1,0,0]=4 29154 B6R0.6 COCCCSC 34a_100000690336_200000210301 [3,0,0,0,0,0|1,0,0]=4 29155 B6R0.6 COCCCSC 62a_100000709357_200000210301 [3,0,0,0,0,0|1,0,0]=4 29156 B6R0.6 COCCCSC 62a_200000210301_100000709357 [3,0,0,0,0,0|1,0,0]=4 29157 B6R0.6 COCCCSC 7a_100000690336_200000210301 [3,0,0,0,0,0|1,0,0]=4 29158 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [3,0,0,0,0,0|1,0,0]=4 29159 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [3,0,0,0,0,0|1,0,0]=4 29160 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [3,0,0,0,0,0|1,0,0]=4 29161 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [3,0,0,0,0,0|1,0,0]=4 29162 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [3,0,0,0,0,0|1,0,0]=4 29163 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [3,0,0,0,0,0|1,0,0]=4 29164 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [3,0,0,0,0,0|1,0,0]=4 29165 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [3,0,0,0,0,0|1,0,0]=4 29166 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [3,0,0,0,0,0|1,0,0]=4 29167 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [3,0,0,0,0,0|1,0,0]=4 29168 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [3,0,0,0,0,0|1,0,0]=4 29169 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [2,1,0,0,0,0|0,0,1]=4 29170 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [2,1,0,0,0,0|1,0,0]=4 29171 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [2,1,0,0,0,0|1,0,0]=4 29172 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [2,1,0,0,0,0|1,0,0]=4 29173 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [2,1,0,0,0,0|1,0,0]=4 29174 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [2,1,0,0,0,0|1,0,0]=4 29175 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [2,1,0,0,0,0|1,0,0]=4 29176 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [2,1,0,0,0,0|0,0,0]=3 29177 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [2,1,0,0,0,0|0,0,0]=3 29178 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [2,1,0,0,0,0|0,0,0]=3 29179 B8R0.1 CCCC(C)COCF 34a_100000688023_100015361967 [2,1,0,0,0,0|1,0,0]=4 29180 B8R0.1 CCCC(C)COCF 7a_100000688023_100015361967 [2,1,0,0,0,0|1,0,0]=4 29181 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [2,1,0,0,0,0|0,1,0]=4 29182 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [2,1,0,0,0,0|0,1,0]=4 29183 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [2,1,0,0,0,0|1,0,0]=4 29184 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [2,1,0,0,0,0|1,0,0]=4 29185 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [2,1,0,0,0,0|1,0,0]=4 29186 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [2,1,0,0,0,0|1,0,0]=4 29187 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [2,1,0,0,0,0|1,0,0]=4 29188 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [2,1,0,0,0,0|1,0,0]=4 29189 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [2,1,0,0,0,0|1,0,0]=4 29190 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [2,1,0,0,0,0|0,0,1]=4 29191 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [2,1,0,0,0,0|0,0,1]=4 29192 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [2,1,0,0,0,0|1,0,0]=4 29193 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [2,1,0,0,0,0|1,0,0]=4 29194 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [2,1,0,0,0,0|1,0,0]=4 29195 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [2,1,0,0,0,0|1,0,0]=4 29196 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [2,1,0,0,0,0|1,0,0]=4 29197 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [2,1,0,0,0,0|1,0,0]=4 29198 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [2,1,0,0,0,0|1,0,0]=4 29199 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [2,1,0,0,0,0|0,0,0]=3 29200 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [2,1,0,0,0,0|0,0,0]=3 29201 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [2,1,0,0,0,0|0,0,0]=3 29202 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [2,1,0,0,0,0|1,0,0]=4 29203 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [2,1,0,0,0,0|1,0,0]=4 29204 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [2,1,0,0,0,0|0,1,0]=4 29205 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [2,1,0,0,0,0|0,1,0]=4 29206 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [2,1,0,0,0,0|1,0,0]=4 29207 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [2,1,0,0,0,0|1,0,0]=4 29208 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [2,1,0,0,0,0|1,0,0]=4 29209 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [2,1,0,0,0,0|1,0,0]=4 29210 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [2,1,0,0,0,0|1,0,0]=4 29211 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [2,1,0,0,0,0|1,0,0]=4 29212 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [2,1,0,0,0,0|1,0,0]=4 29213 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [2,1,0,0,0,0|1,0,0]=4 29214 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [2,1,0,0,0,0|1,0,0]=4 29215 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [2,1,0,0,0,0|1,0,0]=4 29216 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [2,1,0,0,0,0|1,0,0]=4 29217 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [2,1,0,0,0,0|1,0,0]=4 29218 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [2,1,0,0,0,0|1,0,0]=4 29219 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [2,1,0,0,0,0|1,0,0]=4 29220 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [2,1,0,0,0,0|0,0,0]=3 29221 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [2,1,0,0,0,0|0,0,0]=3 29222 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [2,1,0,0,0,0|0,0,0]=3 29223 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [2,1,0,0,0,0|1,0,0]=4 29224 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [2,1,0,0,0,0|1,0,0]=4 29225 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [2,1,0,0,0,0|1,0,0]=4 29226 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [2,1,0,0,0,0|1,0,0]=4 29227 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [2,1,0,0,0,0|1,0,0]=4 29228 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [2,1,0,0,0,0|1,0,0]=4 29229 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [2,1,0,0,0,0|1,0,0]=4 29230 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [2,1,0,0,0,0|0,1,0]=4 29231 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [2,1,0,0,0,0|0,1,0]=4 29232 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [2,1,0,0,0,0|1,0,0]=4 29233 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [2,1,0,0,0,0|1,0,0]=4 29234 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [2,1,0,0,0,0|0,0,0]=3 29235 B8R0.1 CCC[C@H](N)COCF 34a_100000732646_100015361967 [2,1,0,0,0,0|1,0,0]=4 29236 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [2,1,0,0,0,0|1,0,0]=4 29237 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [2,1,0,0,0,0|1,0,0]=4 29238 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [2,1,0,0,0,0|1,0,0]=4 29239 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [2,1,0,0,0,0|1,0,0]=4 29240 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [2,1,0,0,0,0|1,0,0]=4 29241 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [2,1,0,0,0,0|1,0,0]=4 29242 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [2,1,0,0,0,0|1,0,0]=4 29243 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [2,1,0,0,0,0|1,0,0]=4 29244 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [2,1,0,0,0,0|1,0,0]=4 29245 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [2,1,0,0,0,0|1,0,0]=4 29246 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [2,1,0,0,0,0|1,0,0]=4 29247 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [2,1,0,0,0,0|1,0,0]=4 29248 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [2,1,0,0,0,0|1,0,0]=4 29249 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [2,1,0,0,0,0|1,0,0]=4 29250 B8R0.6 CCC(C)COCCBr 34a_100000211926_100000748023 [2,1,0,0,0,0|1,0,0]=4 29251 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [2,1,0,0,0,0|1,0,0]=4 29252 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [2,1,0,0,0,0|1,0,0]=4 29253 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [2,1,0,0,0,0|1,0,0]=4 29254 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [2,1,0,0,0,0|1,0,0]=4 29255 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [2,1,0,0,0,0|1,0,0]=4 29256 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [2,1,0,0,0,0|1,0,0]=4 29257 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [2,1,0,0,0,0|1,0,0]=4 29258 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [2,1,0,0,0,0|1,0,0]=4 29259 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [2,1,0,0,0,0|1,0,0]=4 29260 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [2,1,0,0,0,0|1,0,0]=4 29261 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [2,1,0,0,0,0|1,0,0]=4 29262 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [2,1,0,0,0,0|1,0,0]=4 29263 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [2,1,0,0,0,0|1,0,0]=4 29264 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [2,1,0,0,0,0|1,0,0]=4 29265 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [2,1,0,0,0,0|0,0,1]=4 29266 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [2,1,0,0,0,0|0,0,1]=4 29267 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [2,1,0,0,0,0|1,0,0]=4 29268 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [2,1,0,0,0,0|1,0,0]=4 29269 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [2,1,0,0,0,0|1,0,0]=4 29270 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [2,1,0,0,0,0|1,0,0]=4 29271 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [2,1,0,0,0,0|1,0,0]=4 29272 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [2,1,0,0,0,0|1,0,0]=4 29273 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [2,1,0,0,0,0|1,0,0]=4 29274 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [2,1,0,0,0,0|1,0,0]=4 29275 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [2,1,0,0,0,0|1,0,0]=4 29276 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [2,1,0,0,0,0|1,0,0]=4 29277 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [2,1,0,0,0,0|1,0,0]=4 29278 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [2,1,0,0,0,0|1,0,0]=4 29279 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [2,1,0,0,0,0|1,0,0]=4 29280 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [2,1,0,0,0,0|1,0,0]=4 29281 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [2,1,0,0,0,0|1,0,0]=4 29282 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [2,1,0,0,0,0|1,0,0]=4 29283 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [2,1,0,0,0,0|1,0,0]=4 29284 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [2,1,0,0,0,0|1,0,0]=4 29285 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [2,1,0,0,0,0|1,0,0]=4 29286 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [2,1,0,0,0,0|1,0,0]=4 29287 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [2,1,0,0,0,0|1,0,0]=4 29288 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [2,1,0,0,0,0|1,0,0]=4 29289 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [2,1,0,0,0,0|0,0,0]=3 29290 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [2,1,0,0,0,0|0,0,0]=3 29291 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [2,1,0,0,0,0|0,0,0]=3 29292 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [2,1,0,0,0,0|1,0,0]=4 29293 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [2,1,0,0,0,0|1,0,0]=4 29294 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [2,1,0,0,0,0|1,0,0]=4 29295 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [2,1,0,0,0,0|1,0,0]=4 29296 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [2,1,0,0,0,0|1,0,0]=4 29297 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [2,1,0,0,0,0|0,1,0]=4 29298 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [2,1,0,0,0,0|0,1,0]=4 29299 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [2,1,0,0,0,0|1,0,0]=4 29300 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [2,1,0,0,0,0|1,0,0]=4 29301 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [2,1,0,0,0,0|1,0,0]=4 29302 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [2,1,0,0,0,0|0,0,1]=4 29303 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [2,1,0,0,0,0|0,0,1]=4 29304 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [2,1,0,0,0,0|0,0,0]=3 29305 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [2,1,0,0,0,0|1,0,0]=4 29306 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [2,1,0,0,0,0|1,0,0]=4 29307 B8R0.6 CCCOCC(Cl)CCl 34a_100000033668_100000210303 [2,1,0,0,0,0|1,0,0]=4 29308 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [2,1,0,0,0,0|0,0,0]=3 29309 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [2,1,0,0,0,0|1,0,0]=4 29310 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [2,1,0,0,0,0|0,0,0]=3 29311 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [2,1,0,0,0,0|0,0,0]=3 29312 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [2,1,0,0,0,0|1,0,0]=4 29313 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [2,1,0,0,0,0|1,0,0]=4 29314 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [2,1,0,0,0,0|1,0,0]=4 29315 B8R0.6 CCCOC[C@H](F)CN 34a_100015665980_100000210303 [2,1,0,0,0,0|1,0,0]=4 29316 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [2,1,0,0,0,0|0,1,0]=4 29317 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [2,1,0,0,0,0|0,1,0]=4 29318 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [2,1,0,0,0,0|0,1,0]=4 29319 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [2,1,0,0,0,0|0,1,0]=4 29320 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [2,1,0,0,0,0|0,1,0]=4 29321 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [2,1,0,0,0,0|0,1,0]=4 29322 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [2,1,0,0,0,0|1,0,0]=4 29323 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [2,1,0,0,0,0|0,0,1]=4 29324 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [2,1,0,0,0,0|0,0,1]=4 29325 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [2,1,0,0,0,0|0,0,0]=3 29326 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [2,1,0,0,0,0|1,0,0]=4 29327 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [2,1,0,0,0,0|1,0,0]=4 29328 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [2,1,0,0,0,0|1,0,0]=4 29329 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [2,1,0,0,0,0|1,0,0]=4 29330 B8R0.6 CCOCSC(C)CC 62a_100000739092_100000758301 [2,1,0,0,0,0|1,0,0]=4 29331 B8R0.6 CCOCSC(C)CC 62a_100000758301_100000739092 [2,1,0,0,0,0|1,0,0]=4 29332 B8R0.6 CC[C@H](C)COCCBr 34a_100000211926_100009816398 [2,1,0,0,0,0|1,0,0]=4 29333 B8R0.6 CC[C@H](C)COCCF 7a_100009816381_100011217306 [2,1,0,0,0,0|1,0,0]=4 29334 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [2,1,0,0,0,0|1,0,0]=4 29335 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [2,1,0,0,0,0|1,0,0]=4 29336 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [2,1,0,0,0,0|0,0,1]=4 29337 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [2,1,0,0,0,0|0,0,1]=4 29338 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [2,1,0,0,0,0|0,0,1]=4 29339 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [2,1,0,0,0,0|0,0,1]=4 29340 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [2,1,0,0,0,0|0,0,1]=4 29341 B8R0.7 CC(Br)CCOCCF 34a_100009893172_100011217306 [2,1,0,0,0,0|1,0,0]=4 29342 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [2,1,0,0,0,0|1,0,0]=4 29343 B8R0.7 CC(Br)COCCCF 34a_100012180447_100011934791 [2,1,0,0,0,0|1,0,0]=4 29344 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [2,1,0,0,0,0|1,0,0]=4 29345 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [2,1,0,0,0,0|1,0,0]=4 29346 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [2,1,0,0,0,0|1,0,0]=4 29347 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [2,1,0,0,0,0|1,0,0]=4 29348 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [2,1,0,0,0,0|1,0,0]=4 29349 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [2,1,0,0,0,0|1,0,0]=4 29350 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [2,1,0,0,0,0|1,0,0]=4 29351 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [2,1,0,0,0,0|1,0,0]=4 29352 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [2,1,0,0,0,0|1,0,0]=4 29353 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [2,1,0,0,0,0|1,0,0]=4 29354 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [2,1,0,0,0,0|1,0,0]=4 29355 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [2,1,0,0,0,0|1,0,0]=4 29356 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [2,1,0,0,0,0|1,0,0]=4 29357 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [2,1,0,0,0,0|1,0,0]=4 29358 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [2,1,0,0,0,0|1,0,0]=4 29359 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [2,1,0,0,0,0|1,0,0]=4 29360 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [2,1,0,0,0,0|1,0,0]=4 29361 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [2,1,0,0,0,0|1,0,0]=4 29362 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [2,1,0,0,0,0|1,0,0]=4 29363 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [2,1,0,0,0,0|1,0,0]=4 29364 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [2,1,0,0,0,0|1,0,0]=4 29365 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [2,1,0,0,0,0|1,0,0]=4 29366 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [2,1,0,0,0,0|1,0,0]=4 29367 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [2,1,0,0,0,0|1,0,0]=4 29368 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [2,1,0,0,0,0|1,0,0]=4 29369 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [2,1,0,0,0,0|1,0,0]=4 29370 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [2,1,0,0,0,0|1,0,0]=4 29371 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [2,1,0,0,0,0|1,0,0]=4 29372 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [2,1,0,0,0,0|1,0,0]=4 29373 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [2,1,0,0,0,0|1,0,0]=4 29374 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [2,1,0,0,0,0|1,0,0]=4 29375 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [2,1,0,0,0,0|1,0,0]=4 29376 B8R0.7 CC(F)COCCCF 34a_100015925927_100011934791 [2,1,0,0,0,0|1,0,0]=4 29377 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [2,1,0,0,0,0|1,0,0]=4 29378 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [2,1,0,0,0,0|1,0,0]=4 29379 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [2,1,0,0,0,0|1,0,0]=4 29380 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [2,1,0,0,0,0|1,0,0]=4 29381 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [2,1,0,0,0,0|1,0,0]=4 29382 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [2,1,0,0,0,0|1,0,0]=4 29383 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [2,1,0,0,0,0|1,0,0]=4 29384 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [2,1,0,0,0,0|0,0,1]=4 29385 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [2,1,0,0,0,0|0,0,1]=4 29386 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [2,1,0,0,0,0|0,0,1]=4 29387 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [2,1,0,0,0,0|1,0,0]=4 29388 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [2,1,0,0,0,0|1,0,0]=4 29389 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [2,1,0,0,0,0|1,0,0]=4 29390 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [2,1,0,0,0,0|1,0,0]=4 29391 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [2,1,0,0,0,0|1,0,0]=4 29392 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [2,1,0,0,0,0|1,0,0]=4 29393 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [2,1,0,0,0,0|1,0,0]=4 29394 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [2,1,0,0,0,0|1,0,0]=4 29395 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [2,1,0,0,0,0|1,0,0]=4 29396 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [2,1,0,0,0,0|0,0,0]=3 29397 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [2,1,0,0,0,0|0,0,0]=3 29398 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [2,1,0,0,0,0|0,0,0]=3 29399 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [2,1,0,0,0,0|0,1,0]=4 29400 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [2,1,0,0,0,0|0,1,0]=4 29401 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [2,1,0,0,0,0|1,0,0]=4 29402 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [2,1,0,0,0,0|1,0,0]=4 29403 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [2,1,0,0,0,0|1,0,0]=4 29404 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [2,1,0,0,0,0|1,0,0]=4 29405 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [2,1,0,0,0,0|1,0,0]=4 29406 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [2,1,0,0,0,0|1,0,0]=4 29407 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [2,1,0,0,0,0|1,0,0]=4 29408 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [2,1,0,0,0,0|1,0,0]=4 29409 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [2,1,0,0,0,0|1,0,0]=4 29410 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [2,1,0,0,0,0|1,0,0]=4 29411 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [2,1,0,0,0,0|1,0,0]=4 29412 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [2,1,0,0,0,0|0,0,1]=4 29413 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [2,1,0,0,0,0|0,0,1]=4 29414 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [2,1,0,0,0,0|0,0,1]=4 29415 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [2,1,0,0,0,0|0,0,1]=4 29416 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [2,1,0,0,0,0|0,0,0]=3 29417 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [2,1,0,0,0,0|0,0,0]=3 29418 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [2,1,0,0,0,0|0,0,0]=3 29419 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [2,1,0,0,0,0|0,0,0]=3 29420 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [2,1,0,0,0,0|0,0,0]=3 29421 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [2,1,0,0,0,0|0,0,0]=3 29422 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [2,1,0,0,0,0|0,0,0]=3 29423 B8R0.7 CCCCOCC(F)F 34a_100000210227_100011934356 [2,1,0,0,0,0|1,0,0]=4 29424 B8R0.7 CCCCOCC(F)F 34a_100000743014_100000210210 [2,1,0,0,0,0|1,0,0]=4 29425 B8R0.7 CCCCOCC(F)F 7a_100000210227_100011934356 [2,1,0,0,0,0|1,0,0]=4 29426 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [2,1,0,0,0,0|1,0,0]=4 29427 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [2,1,0,0,0,0|1,0,0]=4 29428 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [2,1,0,0,0,0|0,0,0]=3 29429 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [2,1,0,0,0,0|0,0,0]=3 29430 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [2,1,0,0,0,0|0,0,0]=3 29431 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [2,1,0,0,0,0|0,0,0]=3 29432 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [2,1,0,0,0,0|0,1,0]=4 29433 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [2,1,0,0,0,0|0,1,0]=4 29434 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [2,1,0,0,0,0|0,1,0]=4 29435 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [2,1,0,0,0,0|0,1,0]=4 29436 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [2,1,0,0,0,0|0,1,0]=4 29437 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [2,1,0,0,0,0|0,1,0]=4 29438 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [2,1,0,0,0,0|1,0,0]=4 29439 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [2,1,0,0,0,0|1,0,0]=4 29440 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [2,1,0,0,0,0|0,0,1]=4 29441 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [2,1,0,0,0,0|0,0,1]=4 29442 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [2,1,0,0,0,0|0,0,1]=4 29443 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [2,1,0,0,0,0|0,0,0]=3 29444 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [2,1,0,0,0,0|0,0,0]=3 29445 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [2,1,0,0,0,0|0,0,0]=3 29446 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [2,1,0,0,0,0|0,0,0]=3 29447 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [2,1,0,0,0,0|0,0,0]=3 29448 B8R0.7 CCCOCCC(F)F 34a_100103093639_100000210303 [2,1,0,0,0,0|1,0,0]=4 29449 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [2,1,0,0,0,0|1,0,0]=4 29450 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [2,1,0,0,0,0|1,0,0]=4 29451 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [2,1,0,0,0,0|0,0,0]=3 29452 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [2,1,0,0,0,0|1,0,0]=4 29453 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [2,1,0,0,0,0|0,1,0]=4 29454 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [2,1,0,0,0,0|0,1,0]=4 29455 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [2,1,0,0,0,0|0,1,0]=4 29456 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [2,1,0,0,0,0|0,1,0]=4 29457 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [2,1,0,0,0,0|1,0,0]=4 29458 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [2,1,0,0,0,0|1,0,0]=4 29459 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [2,1,0,0,0,0|1,0,0]=4 29460 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [2,1,0,0,0,0|1,0,0]=4 29461 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [2,1,0,0,0,0|1,0,0]=4 29462 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [2,1,0,0,0,0|1,0,0]=4 29463 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [2,1,0,0,0,0|1,0,0]=4 29464 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [2,1,0,0,0,0|1,0,0]=4 29465 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [2,1,0,0,0,0|1,0,0]=4 29466 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [2,1,0,0,0,0|0,0,1]=4 29467 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [2,1,0,0,0,0|0,0,1]=4 29468 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [2,1,0,0,0,0|0,0,1]=4 29469 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [2,1,0,0,0,0|0,0,1]=4 29470 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [2,1,0,0,0,0|0,0,0]=3 29471 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [2,1,0,0,0,0|0,0,0]=3 29472 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [2,1,0,0,0,0|0,0,0]=3 29473 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [2,1,0,0,0,0|0,0,0]=3 29474 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [2,1,0,0,0,0|1,0,0]=4 29475 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [2,1,0,0,0,0|1,0,0]=4 29476 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [2,1,0,0,0,0|1,0,0]=4 29477 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [2,1,0,0,0,0|1,0,0]=4 29478 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [2,1,0,0,0,0|1,0,0]=4 29479 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [2,1,0,0,0,0|1,0,0]=4 29480 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [2,1,0,0,0,0|1,0,0]=4 29481 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [2,1,0,0,0,0|1,0,0]=4 29482 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [2,1,0,0,0,0|1,0,0]=4 29483 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [2,1,0,0,0,0|1,0,0]=4 29484 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [2,1,0,0,0,0|1,0,0]=4 29485 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [2,1,0,0,0,0|1,0,0]=4 29486 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [2,1,0,0,0,0|1,0,0]=4 29487 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [2,1,0,0,0,0|1,0,0]=4 29488 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [2,1,0,0,0,0|1,0,0]=4 29489 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [2,1,0,0,0,0|1,0,0]=4 29490 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [2,1,0,0,0,0|1,0,0]=4 29491 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [2,1,0,0,0,0|1,0,0]=4 29492 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [2,1,0,0,0,0|1,0,0]=4 29493 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [2,1,0,0,0,0|1,0,0]=4 29494 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [2,1,0,0,0,0|1,0,0]=4 29495 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [2,1,0,0,0,0|1,0,0]=4 29496 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [2,1,0,0,0,0|1,0,0]=4 29497 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [2,1,0,0,0,0|1,0,0]=4 29498 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [2,1,0,0,0,0|0,1,0]=4 29499 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [2,1,0,0,0,0|0,1,0]=4 29500 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [2,1,0,0,0,0|0,1,0]=4 29501 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [2,1,0,0,0,0|0,1,0]=4 29502 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [2,1,0,0,0,0|1,0,0]=4 29503 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [2,1,0,0,0,0|1,0,0]=4 29504 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [2,1,0,0,0,0|1,0,0]=4 29505 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [2,1,0,0,0,0|1,0,0]=4 29506 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [2,1,0,0,0,0|1,0,0]=4 29507 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [2,1,0,0,0,0|1,0,0]=4 29508 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [2,1,0,0,0,0|1,0,0]=4 29509 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [2,1,0,0,0,0|1,0,0]=4 29510 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [2,1,0,0,0,0|1,0,0]=4 29511 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [2,1,0,0,0,0|1,0,0]=4 29512 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [2,1,0,0,0,0|1,0,0]=4 29513 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [2,1,0,0,0,0|1,0,0]=4 29514 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [2,1,0,0,0,0|1,0,0]=4 29515 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [2,1,0,0,0,0|1,0,0]=4 29516 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [2,1,0,0,0,0|1,0,0]=4 29517 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [2,1,0,0,0,0|1,0,0]=4 29518 B8R0.7 COCCOCC(C)Br 34a_100012180447_100011201679 [2,1,0,0,0,0|1,0,0]=4 29519 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [2,1,0,0,0,0|1,0,0]=4 29520 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [2,1,0,0,0,0|1,0,0]=4 29521 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [2,1,0,0,0,0|1,0,0]=4 29522 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [2,1,0,0,0,0|1,0,0]=4 29523 B8R0.7 COCCOCC(C)F 34a_100015925927_100011201679 [2,1,0,0,0,0|1,0,0]=4 29524 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [2,1,0,0,0,0|1,0,0]=4 29525 B8R0.7 COCCOC[C@@H](C)Cl 34a_100016084084_100011201679 [2,1,0,0,0,0|1,0,0]=4 29526 B8R0.7 COCCOC[C@@H](C)N 34a_100000737577_100011201679 [2,1,0,0,0,0|1,0,0]=4 29527 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [2,1,0,0,0,0|1,0,0]=4 29528 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [2,1,0,0,0,0|1,0,0]=4 29529 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [2,1,0,0,0,0|1,0,0]=4 29530 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [2,1,0,0,0,0|1,0,0]=4 29531 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [2,1,0,0,0,0|1,0,0]=4 29532 B8R0.7 CSCCOCC(C)Br 34a_100012180447_100000212216 [2,1,0,0,0,0|1,0,0]=4 29533 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [2,1,0,0,0,0|1,0,0]=4 29534 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [2,1,0,0,0,0|1,0,0]=4 29535 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [2,1,0,0,0,0|1,0,0]=4 29536 B8R0.7 CSCCOCC(C)F 34a_100015925927_100000212216 [2,1,0,0,0,0|1,0,0]=4 29537 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [2,1,0,0,0,0|1,0,0]=4 29538 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [2,1,0,0,0,0|1,0,0]=4 29539 B8R0.7 CSCCOC[C@@H](C)Cl 34a_100016084084_100000212216 [2,1,0,0,0,0|1,0,0]=4 29540 B8R0.7 CSCCOC[C@@H](C)N 34a_100000737577_100000212216 [2,1,0,0,0,0|1,0,0]=4 29541 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [2,1,0,0,0,0|1,0,0]=4 29542 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [2,1,0,0,0,0|1,0,0]=4 29543 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [2,1,0,0,0,0|1,0,0]=4 29544 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [2,1,0,0,0,0|1,0,0]=4 29545 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [2,1,0,0,0,0|1,0,0]=4 29546 B8R0.7 C[C@@H](Cl)COCCCF 34a_100016084084_100011934791 [2,1,0,0,0,0|1,0,0]=4 29547 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [2,1,0,0,0,0|1,0,0]=4 29548 B8R0.7 C[C@@H](N)CCOCCF 34a_100000706166_100011217306 [2,1,0,0,0,0|1,0,0]=4 29549 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [2,1,0,0,0,0|1,0,0]=4 29550 B8R0.7 C[C@@H](N)COCCCF 34a_100000737577_100011934791 [2,1,0,0,0,0|1,0,0]=4 29551 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [2,1,0,0,0,0|1,0,0]=4 29552 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [2,1,0,0,0,0|1,0,0]=4 29553 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [2,1,0,0,0,0|1,0,0]=4 29554 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [2,1,0,0,0,0|1,0,0]=4 29555 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [2,1,0,0,0,0|1,0,0]=4 29556 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764384_100000730704 [1,2,0,0,0,0|0,0,1]=4 29557 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764851_100000766640 [1,2,0,0,0,0|0,0,1]=4 29558 B10R0.3 C=C(C)CCOC(C)CCC 7a_100000764384_100000730704 [1,2,0,0,0,0|0,0,1]=4 29559 B10R0.3 C=C(C)COCC(C)CCC 34a_100000210245_100011216630 [1,2,0,0,0,0|0,0,1]=4 29560 B10R0.3 C=C(C)COCC(C)CCC 34a_100000688023_100000748629 [1,2,0,0,0,0|0,0,1]=4 29561 B10R0.3 C=C(C)COCC(C)CCC 7a_100000688023_100000748629 [1,2,0,0,0,0|0,0,1]=4 29562 B10R0.3 C=C(C)COC[C@@H](N)CCC 34a_100000732646_100000748629 [1,2,0,0,0,0|0,0,1]=4 29563 B10R0.3 CC(Br)CCOC(C)CCO 34a_100009893172_100009893172 [1,2,0,0,0,0|1,0,0]=4 29564 B10R0.3 CC(C)CCOC(C)CCBr 34a_100012276601_100000210312 [1,2,0,0,0,0|1,0,0]=4 29565 B10R0.3 CC(C)CCOC(C)CCO 34a_100000210254_100009893172 [1,2,0,0,0,0|1,0,0]=4 29566 B10R0.3 CC(C)CCOC(C)CCO 7a_100000210254_100009893172 [1,2,0,0,0,0|1,0,0]=4 29567 B10R0.3 CC(C)COCC(C)CCN 34a_106354213184_100000210624 [1,2,0,0,0,0|1,0,0]=4 29568 B10R0.3 CC(CCN)COC[C@@H](C)O 34a_106354213184_100009817552 [1,2,0,0,0,0|1,0,0]=4 29569 B10R0.3 CC(CCO)OCC[C@@H](C)N 34a_100000706166_100009893172 [1,2,0,0,0,0|1,0,0]=4 29570 B10R0.3 CC(O)CCOC(C)CCBr 34a_100012276601_100012276601 [1,2,0,0,0,0|1,0,0]=4 29571 B10R0.3 CC(O)COCC(C)CCN 34a_106354213184_100011218427 [1,2,0,0,0,0|1,0,0]=4 29572 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [1,2,0,0,0,0|0,0,1]=4 29573 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [1,2,0,0,0,0|0,0,1]=4 29574 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [1,2,0,0,0,0|0,0,1]=4 29575 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [1,2,0,0,0,0|0,0,1]=4 29576 B10R0.3 CCCC(C)CCOC(C)C 34a_100011217855_100000210206 [1,2,0,0,0,0|1,0,0]=4 29577 B10R0.3 CCCC(C)CCOC(C)C 7a_100011217855_100000210206 [1,2,0,0,0,0|1,0,0]=4 29578 B10R0.3 CCCC(C)CNCC(C)C 2230a_100000210953_100011216630 [1,2,0,0,0,0|1,0,0]=4 29579 B10R0.3 CCCC(C)CNCC(C)C 270004a_100000210953_100000243154 [1,2,0,0,0,0|1,0,0]=4 29580 B10R0.3 CCCC(C)CNCC(C)C 34a_100000210953_100011216630 [1,2,0,0,0,0|1,0,0]=4 29581 B10R0.3 CCCC(C)CNCC(C)O 2230a_100000210904_100011216630 [1,2,0,0,0,0|1,0,0]=4 29582 B10R0.3 CCCC(C)CNCC(C)O 270004a_100000210904_100000243154 [1,2,0,0,0,0|1,0,0]=4 29583 B10R0.3 CCCC(C)CNCC(C)O 34a_100000210904_100011216630 [1,2,0,0,0,0|1,0,0]=4 29584 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [1,2,0,0,0,0|0,0,1]=4 29585 B10R0.3 CCCC(C)COCC(C)Br 34a_100012180447_100011216630 [1,2,0,0,0,0|0,0,0]=3 29586 B10R0.3 CCCC(C)COCC(C)C 34a_100000210257_100011216630 [1,2,0,0,0,0|0,0,0]=3 29587 B10R0.3 CCCC(C)COCC(C)C 34a_100000688023_100000210624 [1,2,0,0,0,0|0,0,0]=3 29588 B10R0.3 CCCC(C)COCC(C)C 7a_100000688023_100000210760 [1,2,0,0,0,0|0,0,0]=3 29589 B10R0.3 CCCC(C)COCC(C)F 34a_100015925927_100011216630 [1,2,0,0,0,0|0,0,0]=3 29590 B10R0.3 CCCC(C)COCC(C)O 34a_100000688023_100011218427 [1,2,0,0,0,0|0,0,0]=3 29591 B10R0.3 CCCC(C)COCC(C)O 7a_100000688023_100011218427 [1,2,0,0,0,0|0,0,0]=3 29592 B10R0.3 CCCC(C)COCC(F)F 34a_100000688023_100011934356 [1,2,0,0,0,0|1,0,0]=4 29593 B10R0.3 CCCC(C)COCC(F)F 34a_100000743014_100011216630 [1,2,0,0,0,0|1,0,0]=4 29594 B10R0.3 CCCC(C)COCC(F)F 7a_100000688023_100011934356 [1,2,0,0,0,0|1,0,0]=4 29595 B10R0.3 CCCC(C)COC[C@@H](C)Cl 34a_100016084084_100011216630 [1,2,0,0,0,0|0,0,0]=3 29596 B10R0.3 CCCC(C)COC[C@@H](C)N 34a_100000737577_100011216630 [1,2,0,0,0,0|0,0,0]=3 29597 B10R0.3 CCCC(C)COC[C@@H](C)O 34a_100000688023_100009817552 [1,2,0,0,0,0|0,0,0]=3 29598 B10R0.3 CCCC(C)COC[C@@H](C)O 7a_100000688023_100009817552 [1,2,0,0,0,0|0,0,0]=3 29599 B10R0.3 CCCC(C)CSCC(C)C 62a_100000210624_100011216630 [1,2,0,0,0,0|0,1,0]=4 29600 B10R0.3 CCCC(C)CSCC(C)C 62a_100011216630_100000210760 [1,2,0,0,0,0|0,1,0]=4 29601 B10R0.3 CCCC(C)CSCC(C)O 62a_100011216630_100011218427 [1,2,0,0,0,0|0,1,0]=4 29602 B10R0.3 CCCC(C)CSCC(C)O 62a_100011218427_100011216630 [1,2,0,0,0,0|0,1,0]=4 29603 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100009817552_100011216630 [1,2,0,0,0,0|0,1,0]=4 29604 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100011216630_100009817552 [1,2,0,0,0,0|0,1,0]=4 29605 B10R0.3 CCCC(C)NCCC(C)C 2230a_100000741246_100000210312 [1,2,0,0,0,0|1,0,0]=4 29606 B10R0.3 CCCC(C)NCCC(C)C 269862a_100000741246_100000185833 [1,2,0,0,0,0|1,0,0]=4 29607 B10R0.3 CCCC(C)NCCC(C)C 270004a_100000210545_100000211909 [1,2,0,0,0,0|1,0,0]=4 29608 B10R0.3 CCCC(C)NCCC(C)O 2230a_100000741246_100012276601 [1,2,0,0,0,0|1,0,0]=4 29609 B10R0.3 CCCC(C)NCCC(C)O 2230a_200000755665_100000766640 [1,2,0,0,0,0|1,0,0]=4 29610 B10R0.3 CCCC(C)NCCC(C)O 270004a_200000755665_100000211909 [1,2,0,0,0,0|1,0,0]=4 29611 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [1,2,0,0,0,0|0,0,1]=4 29612 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [1,2,0,0,0,0|0,0,1]=4 29613 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [1,2,0,0,0,0|0,0,1]=4 29614 B10R0.3 CCCC(C)OCCC(C)Br 34a_100009893172_100000766640 [1,2,0,0,0,0|0,0,0]=3 29615 B10R0.3 CCCC(C)OCCC(C)C 34a_100000210254_100000766640 [1,2,0,0,0,0|0,0,0]=3 29616 B10R0.3 CCCC(C)OCCC(C)C 34a_100000764384_100000210312 [1,2,0,0,0,0|0,0,0]=3 29617 B10R0.3 CCCC(C)OCCC(C)C 7a_100000210254_100000766640 [1,2,0,0,0,0|0,0,0]=3 29618 B10R0.3 CCCC(C)OCCC(C)C 7a_100000764384_100000210626 [1,2,0,0,0,0|0,0,0]=3 29619 B10R0.3 CCCC(C)OCCC(C)O 34a_100000764384_100012276601 [1,2,0,0,0,0|0,0,0]=3 29620 B10R0.3 CCCC(C)OCCC(C)O 7a_100000764384_100012276601 [1,2,0,0,0,0|0,0,0]=3 29621 B10R0.3 CCCC(C)OCCC(F)F 34a_100103093639_100000766640 [1,2,0,0,0,0|1,0,0]=4 29622 B10R0.3 CCCC(C)OCCN(C)C 7a_100000764384_100000755713 [1,2,0,0,0,0|1,0,0]=4 29623 B10R0.3 CCCC(C)OCC[C@@H](C)N 34a_100000706166_100000766640 [1,2,0,0,0,0|0,0,0]=3 29624 B10R0.3 CCCC(C)OCOC(C)C 34a_100000764384_100000709892 [1,2,0,0,0,0|1,0,0]=4 29625 B10R0.3 CCCC(C)SCCC(C)C 62a_100000210312_100000766640 [1,2,0,0,0,0|0,1,0]=4 29626 B10R0.3 CCCC(C)SCCC(C)C 62a_100000766640_100000210312 [1,2,0,0,0,0|0,1,0]=4 29627 B10R0.3 CCCC(C)SCCC(C)O 62a_100000766640_100012276601 [1,2,0,0,0,0|0,1,0]=4 29628 B10R0.3 CCCC(C)SCCC(C)O 62a_100012276601_100000766640 [1,2,0,0,0,0|0,1,0]=4 29629 B10R0.3 CCCN(C)CCCC(C)C 2230a_100000747261_100011214892 [1,2,0,0,0,0|1,0,0]=4 29630 B10R0.3 CCCN(C)CCCC(C)C 269982a_100000747261_100011214892 [1,2,0,0,0,0|1,0,0]=4 29631 B10R0.3 CCCN(C)CCCC(C)O 2230a_100000747261_200000718107 [1,2,0,0,0,0|1,0,0]=4 29632 B10R0.3 CCCN(C)CCCC(C)O 269982a_100000747261_200000718107 [1,2,0,0,0,0|1,0,0]=4 29633 B10R0.3 CCC[C@H](N)CCOC(C)C 34a_100015193777_100000210206 [1,2,0,0,0,0|1,0,0]=4 29634 B10R0.3 CCC[C@H](N)COCC(C)C 34a_100000732646_100000210624 [1,2,0,0,0,0|0,0,0]=3 29635 B10R0.3 CCC[C@H](N)COCC(C)O 34a_100000732646_100011218427 [1,2,0,0,0,0|0,0,0]=3 29636 B10R0.3 CCC[C@H](N)COCC(F)F 34a_100000732646_100011934356 [1,2,0,0,0,0|1,0,0]=4 29637 B10R0.3 CCC[C@H](N)COC[C@@H](C)O 34a_100000732646_100009817552 [1,2,0,0,0,0|0,0,0]=3 29638 B10R0.3 CCNC(C)CCCC(C)C 2230a_100000210607_100000210202 [1,2,0,0,0,0|1,0,0]=4 29639 B10R0.3 CCNC(C)CCCC(C)C 270004a_100015525214_100000753411 [1,2,0,0,0,0|1,0,0]=4 29640 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [1,2,0,0,0,0|1,0,0]=4 29641 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [1,2,0,0,0,0|1,0,0]=4 29642 B10R0.3 COCC(C)OCCC(C)Br 34a_100009893172_100000765312 [1,2,0,0,0,0|1,0,0]=4 29643 B10R0.3 COCC(C)OCCC(C)C 34a_100000210254_100000765312 [1,2,0,0,0,0|1,0,0]=4 29644 B10R0.3 COCC(C)OCCC(C)C 7a_100000210254_100000765312 [1,2,0,0,0,0|1,0,0]=4 29645 B10R0.3 COCC(C)OCC[C@@H](C)N 34a_100000706166_100000765312 [1,2,0,0,0,0|1,0,0]=4 29646 B10R0.3 COCC(N)COCC(C)C 34a_100000724102_100000210624 [1,2,0,0,0,0|1,0,0]=4 29647 B10R0.3 COCC(N)COCC(C)O 34a_100000724102_100011218427 [1,2,0,0,0,0|1,0,0]=4 29648 B10R0.3 COCC(N)COC[C@@H](C)O 34a_100000724102_100009817552 [1,2,0,0,0,0|1,0,0]=4 29649 B10R0.3 COCC(O)COCC(C)Br 34a_100012180447_100011215053 [1,2,0,0,0,0|1,0,0]=4 29650 B10R0.3 COCC(O)COCC(C)C 34a_100000210257_100011215053 [1,2,0,0,0,0|1,0,0]=4 29651 B10R0.3 COCC(O)COCC(C)F 34a_100015925927_100011215053 [1,2,0,0,0,0|1,0,0]=4 29652 B10R0.3 COCC(O)COC[C@@H](C)Cl 34a_100016084084_100011215053 [1,2,0,0,0,0|1,0,0]=4 29653 B10R0.3 COCC(O)COC[C@@H](C)N 34a_100000737577_100011215053 [1,2,0,0,0,0|1,0,0]=4 29654 B10R0.3 COC[C@@H](C)OCCC(C)C 34a_100011934205_100000210312 [1,2,0,0,0,0|1,0,0]=4 29655 B10R0.3 COC[C@@H](C)OCCC(C)O 34a_100011934205_100012276601 [1,2,0,0,0,0|1,0,0]=4 29656 B10R0.6 CC(C)CC(C)OCCCBr 34a_100011217188_100000731052 [1,2,0,0,0,0|1,0,0]=4 29657 B10R0.6 CC(C)CC(C)OCCCCl 34a_100000230001_100000731052 [1,2,0,0,0,0|1,0,0]=4 29658 B10R0.6 CC(C)CC(C)OCCCF 34a_100000211805_100011934791 [1,2,0,0,0,0|1,0,0]=4 29659 B10R0.6 CC(C)CC(C)OCCCF 34a_100000759539_100000731052 [1,2,0,0,0,0|1,0,0]=4 29660 B10R0.6 CC(C)CC(C)OCCCF 7a_100000211805_100011934791 [1,2,0,0,0,0|1,0,0]=4 29661 B10R0.6 CC(C)CC(C)OCCCN 34a_100000182051_100000731052 [1,2,0,0,0,0|1,0,0]=4 29662 B10R0.6 CC(C)CC(C)OCCCO 34a_100000211805_100000230001 [1,2,0,0,0,0|1,0,0]=4 29663 B10R0.6 CC(C)CC(C)OCCCO 7a_100000211805_100011215043 [1,2,0,0,0,0|1,0,0]=4 29664 B10R0.6 CC(C)C[C@H](N)COCCF 34a_100011830311_100011217306 [1,2,0,0,0,0|1,0,0]=4 29665 B10R0.6 CC(C)C[C@H](N)COCCO 34a_100011830311_100000211926 [1,2,0,0,0,0|1,0,0]=4 29666 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [1,2,0,0,0,0|0,0,1]=4 29667 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [1,2,0,0,0,0|0,0,1]=4 29668 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [1,2,0,0,0,0|0,0,1]=4 29669 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [1,2,0,0,0,0|0,0,1]=4 29670 B10R0.6 CCCCCC(C)NC(C)C 2230a_100000211957_100000210206 [1,2,0,0,0,0|1,0,0]=4 29671 B10R0.6 CCCCCC(C)NC(C)C 2230a_100138425928_200011218191 [1,2,0,0,0,0|1,0,0]=4 29672 B10R0.6 CCCCCC(C)NC(C)C 34a_100138425928_200011218191 [1,2,0,0,0,0|1,0,0]=4 29673 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [1,2,0,0,0,0|1,0,0]=4 29674 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [1,2,0,0,0,0|1,0,0]=4 29675 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [1,2,0,0,0,0|1,0,0]=4 29676 B10R0.6 CCCCCC(C)SC(C)C 62a_100000210206_200011218191 [1,2,0,0,0,0|1,0,0]=4 29677 B10R0.6 CCCCCC(C)SC(C)C 62a_200011218191_100000210206 [1,2,0,0,0,0|1,0,0]=4 29678 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000223495_100000210760 [1,2,0,0,0,0|1,0,0]=4 29679 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000747067_100000210326 [1,2,0,0,0,0|1,0,0]=4 29680 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000223495_100000210624 [1,2,0,0,0,0|1,0,0]=4 29681 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000747067_100000210215 [1,2,0,0,0,0|1,0,0]=4 29682 B10R0.6 CCCCCN(C)CC(C)C 270004a_100000223495_100000210432 [1,2,0,0,0,0|1,0,0]=4 29683 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000223495_100011218427 [1,2,0,0,0,0|1,0,0]=4 29684 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000227577_100000210326 [1,2,0,0,0,0|1,0,0]=4 29685 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000223495_100011218427 [1,2,0,0,0,0|1,0,0]=4 29686 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000227577_100000210215 [1,2,0,0,0,0|1,0,0]=4 29687 B10R0.6 CCCCCN(C)C[C@@H](C)O 2230a_100000223495_100009817552 [1,2,0,0,0,0|1,0,0]=4 29688 B10R0.6 CCCCCN(C)C[C@@H](C)O 269982a_100000223495_100009817552 [1,2,0,0,0,0|1,0,0]=4 29689 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000102301_100000731052 [1,2,0,0,0,0|1,0,0]=4 29690 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000692259_100000210211 [1,2,0,0,0,0|1,0,0]=4 29691 B10R0.6 CCCCNC(C)CC(C)C 7a_106832991798_100000731052 [1,2,0,0,0,0|1,0,0]=4 29692 B10R0.6 CCCCOC(C)CC(C)C 34a_100000210227_100000731052 [1,2,0,0,0,0|0,0,0]=3 29693 B10R0.6 CCCCOC(C)CC(C)C 34a_100000211805_100000210210 [1,2,0,0,0,0|0,0,0]=3 29694 B10R0.6 CCCCOC(C)CC(C)C 7a_100000210227_100000731052 [1,2,0,0,0,0|0,0,0]=3 29695 B10R0.6 CCCCOC(C)CC(C)C 7a_100000211805_100000210211 [1,2,0,0,0,0|0,0,0]=3 29696 B10R0.6 CCCCSC(C)CC(C)C 62a_100000210211_100000731052 [1,2,0,0,0,0|0,1,0]=4 29697 B10R0.6 CCCCSC(C)CC(C)C 62a_100000731052_100000210210 [1,2,0,0,0,0|0,1,0]=4 29698 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [1,2,0,0,0,0|0,0,1]=4 29699 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [1,2,0,0,0,0|0,0,1]=4 29700 B10R0.6 CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210303 [1,2,0,0,0,0|0,0,0]=3 29701 B10R0.6 CCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210202 [1,2,0,0,0,0|1,0,0]=4 29702 B10R0.6 COCCOC(C)CC(C)C 34a_100000210237_100000731052 [1,2,0,0,0,0|1,0,0]=4 29703 B10R0.6 COCCOC(C)CC(C)C 34a_100000211805_100011201679 [1,2,0,0,0,0|1,0,0]=4 29704 B10R0.6 COCCOC(C)CC(C)C 7a_100000211805_100000233755 [1,2,0,0,0,0|1,0,0]=4 29705 B10R0.6 CSCCOC(C)CC(C)C 34a_100000211805_100000212216 [1,2,0,0,0,0|1,0,0]=4 29706 B10R0.6 CSCCOC(C)CC(C)C 34a_100000230434_100000731052 [1,2,0,0,0,0|1,0,0]=4 29707 B10R0.6 CSCCOC(C)CC(C)C 7a_100000211805_100000212216 [1,2,0,0,0,0|1,0,0]=4 29708 B10R0.6 CSCCOC(C)CC(C)C 7a_100000230434_100000731052 [1,2,0,0,0,0|1,0,0]=4 29709 B10R0.6 CSCOC[C@@H](N)CC(C)C 34a_100011830311_100011218213 [1,2,0,0,0,0|1,0,0]=4 29710 B10R0.22 CC(C)(C)CCOCCCBr 34a_100011217188_100000755188 [1,2,0,0,0,0|1,0,0]=4 29711 B10R0.22 CC(C)(C)CCOCCCCl 34a_100000230001_100000755188 [1,2,0,0,0,0|1,0,0]=4 29712 B10R0.22 CC(C)(C)CCOCCCF 34a_100000759539_100000755188 [1,2,0,0,0,0|1,0,0]=4 29713 B10R0.22 CC(C)(C)CCOCCCF 7a_100000765024_100011934791 [1,2,0,0,0,0|1,0,0]=4 29714 B10R0.22 CC(C)(C)CCOCCCN 34a_100000182051_100000755188 [1,2,0,0,0,0|1,0,0]=4 29715 B10R0.22 CC(C)(C)CCOCCCO 7a_100000765024_100011215043 [1,2,0,0,0,0|1,0,0]=4 29716 B10R0.22 CC(C)(C)COCCCCBr 34a_100011216708_100011219605 [1,2,0,0,0,0|1,0,0]=4 29717 B10R0.22 CC(C)(C)COCCCCCl 34a_100000210776_100011219605 [1,2,0,0,0,0|1,0,0]=4 29718 B10R0.22 CC(C)(C)COCCCCF 34a_100011995726_100011219605 [1,2,0,0,0,0|1,0,0]=4 29719 B10R0.22 CC(C)(C)COCCCCI 34a_200012148704_100011219605 [1,2,0,0,0,0|1,0,0]=4 29720 B10R0.22 CC(C)(C)COCCCCN 34a_100000750430_100011219605 [1,2,0,0,0,0|1,0,0]=4 29721 B10R0.22 CC(C)(F)COCCCCBr 34a_100011216708_100011997219 [1,2,0,0,0,0|1,0,0]=4 29722 B10R0.22 CC(C)(F)COCCCCCl 34a_100000210776_100011997219 [1,2,0,0,0,0|1,0,0]=4 29723 B10R0.22 CC(C)(F)COCCCCF 34a_100000716592_100000729493 [1,2,0,0,0,0|1,0,0]=4 29724 B10R0.22 CC(C)(F)COCCCCF 34a_100011995726_100011997219 [1,2,0,0,0,0|1,0,0]=4 29725 B10R0.22 CC(C)(F)COCCCCI 34a_200012148704_100011997219 [1,2,0,0,0,0|1,0,0]=4 29726 B10R0.22 CC(C)(F)COCCCCN 34a_100000750430_100011997219 [1,2,0,0,0,0|1,0,0]=4 29727 B10R0.22 CC(C)(F)COCCCCO 34a_100000716592_100011216708 [1,2,0,0,0,0|1,0,0]=4 29728 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_100010402123_200025704644 [1,2,0,0,0,0|1,0,0]=4 29729 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_200025704644_100010402123 [1,2,0,0,0,0|1,0,0]=4 29730 B10R0.22 CC(C)(O)CCCOCCBr 34a_100000211926_100009888830 [1,2,0,0,0,0|1,0,0]=4 29731 B10R0.22 CC(C)(O)CCCOCCN 34a_100000210304_100009888830 [1,2,0,0,0,0|1,0,0]=4 29732 B10R0.22 CC(C)(O)CCOCCCBr 34a_100011217188_100000702414 [1,2,0,0,0,0|1,0,0]=4 29733 B10R0.22 CC(C)(O)CCOCCCCl 34a_100000230001_100000702414 [1,2,0,0,0,0|1,0,0]=4 29734 B10R0.22 CC(C)(O)CCOCCCF 34a_100000759539_100000702414 [1,2,0,0,0,0|1,0,0]=4 29735 B10R0.22 CC(C)(O)CCOCCCN 34a_100000182051_100000702414 [1,2,0,0,0,0|1,0,0]=4 29736 B10R0.22 CC(C)(O)COCCCCBr 34a_100011216708_100000764493 [1,2,0,0,0,0|1,0,0]=4 29737 B10R0.22 CC(C)(O)COCCCCCl 34a_100000210776_100000764493 [1,2,0,0,0,0|1,0,0]=4 29738 B10R0.22 CC(C)(O)COCCCCCl 7a_100000210776_100000764493 [1,2,0,0,0,0|1,0,0]=4 29739 B10R0.22 CC(C)(O)COCCCCF 34a_100011995726_100000764493 [1,2,0,0,0,0|1,0,0]=4 29740 B10R0.22 CC(C)(O)COCCCCF 7a_100011995726_100000764493 [1,2,0,0,0,0|1,0,0]=4 29741 B10R0.22 CC(C)(O)COCCCCI 34a_200012148704_100000764493 [1,2,0,0,0,0|1,0,0]=4 29742 B10R0.22 CC(C)(O)COCCCCN 34a_100000750430_100000764493 [1,2,0,0,0,0|1,0,0]=4 29743 B10R0.22 CC(F)(F)COCCCCF 34a_100000068830_100000729493 [1,2,0,0,0,0|1,0,0]=4 29744 B10R0.22 CC(F)(F)COCCCCO 34a_100000068830_100011216708 [1,2,0,0,0,0|1,0,0]=4 29745 B10R0.22 CCCCCCNC(C)(C)C 2230a_100000715429_100000210314 [1,2,0,0,0,0|1,0,0]=4 29746 B10R0.22 CCCCCCOC(C)(C)C 34a_100000210259_100000210625 [1,2,0,0,0,0|1,0,0]=4 29747 B10R0.22 CCCCCCOC(C)(C)C 34a_100015890283_100000210314 [1,2,0,0,0,0|1,0,0]=4 29748 B10R0.22 CCCCCCOC(C)(C)C 7a_100015890283_100000210314 [1,2,0,0,0,0|1,0,0]=4 29749 B10R0.22 CCCCCCSC(C)(C)C 62a_100000210314_100000211941 [1,2,0,0,0,0|1,0,0]=4 29750 B10R0.22 CCCCCCSC(C)(C)C 62a_100000211941_100000210757 [1,2,0,0,0,0|1,0,0]=4 29751 B10R0.22 CCCCCNCC(C)(C)C 2230a_100000743828_100000210326 [1,2,0,0,0,0|1,0,0]=4 29752 B10R0.22 CCCCCNCC(C)(C)C 270004a_100000209983_100011204126 [1,2,0,0,0,0|1,0,0]=4 29753 B10R0.22 CCCCCNCC(C)(C)F 2230a_100020643315_100000210326 [1,2,0,0,0,0|1,0,0]=4 29754 B10R0.22 CCCCCNCC(C)(C)O 2230a_100000751335_100000210326 [1,2,0,0,0,0|1,0,0]=4 29755 B10R0.22 CCCCCOCC(C)(C)C 34a_100000210253_100011219605 [1,2,0,0,0,0|0,0,0]=3 29756 B10R0.22 CCCCCOCC(C)(C)F 34a_100000210253_100011997219 [1,2,0,0,0,0|0,0,0]=3 29757 B10R0.22 CCCCCOCC(C)(C)F 34a_100000716592_100000718602 [1,2,0,0,0,0|0,0,0]=3 29758 B10R0.22 CCCCCOCC(C)(C)O 34a_100000210253_100000764493 [1,2,0,0,0,0|0,0,0]=3 29759 B10R0.22 CCCCCOCC(C)(C)O 7a_100000210253_100000764493 [1,2,0,0,0,0|0,0,0]=3 29760 B10R0.22 CCCCCOCC(C)(F)F 34a_100000068830_100000718602 [1,2,0,0,0,0|0,0,0]=3 29761 B10R0.22 CCCCCOCC(F)(F)Br 34a_100011217949_100000718602 [1,2,0,0,0,0|1,0,0]=4 29762 B10R0.22 CCCCCOCC(F)(F)Cl 34a_100000734434_100000718602 [1,2,0,0,0,0|1,0,0]=4 29763 B10R0.22 CCCCCOCC(F)(F)F 34a_100000210435_100000718602 [1,2,0,0,0,0|1,0,0]=4 29764 B10R0.22 CCCCCOC[Si](C)(C)C 7a_100000210253_100000233785 [1,2,0,0,0,0|0,1,0]=4 29765 B10R0.22 CCCCCSCC(C)(C)C 62a_100000210326_100011219605 [1,2,0,0,0,0|0,1,0]=4 29766 B10R0.22 CCCCCSCC(C)(C)C 62a_100011219605_100000210326 [1,2,0,0,0,0|0,1,0]=4 29767 B10R0.22 CCCCCSCC(C)(C)F 62a_100000210326_100011997219 [1,2,0,0,0,0|0,1,0]=4 29768 B10R0.22 CCCCCSCC(C)(C)F 62a_100011997219_100000210326 [1,2,0,0,0,0|0,1,0]=4 29769 B10R0.22 CCCCCSCC(C)(C)O 62a_100000210326_100000764493 [1,2,0,0,0,0|0,1,0]=4 29770 B10R0.22 CCCCCSCC(C)(C)O 62a_100000764493_100000210326 [1,2,0,0,0,0|0,1,0]=4 29771 B10R0.22 CCCCNCCC(C)(C)C 2230a_100000102301_100000755188 [1,2,0,0,0,0|1,0,0]=4 29772 B10R0.22 CCCCNCCC(C)(C)C 2230a_100000738805_100000210211 [1,2,0,0,0,0|1,0,0]=4 29773 B10R0.22 CCCCNCCC(C)(C)C 7a_106832991798_100000755188 [1,2,0,0,0,0|1,0,0]=4 29774 B10R0.22 CCCCNCCC(C)(C)F 2230a_100016253952_100000210211 [1,2,0,0,0,0|1,0,0]=4 29775 B10R0.22 CCCCNCCC(C)(C)O 2230a_100000102301_100000702414 [1,2,0,0,0,0|1,0,0]=4 29776 B10R0.22 CCCCNCCC(C)(C)O 7a_106832991798_100000702414 [1,2,0,0,0,0|1,0,0]=4 29777 B10R0.22 CCCCOCCC(C)(C)C 34a_100000210227_100000755188 [1,2,0,0,0,0|0,0,0]=3 29778 B10R0.22 CCCCOCCC(C)(C)C 7a_100000210227_100000755188 [1,2,0,0,0,0|0,0,0]=3 29779 B10R0.22 CCCCOCCC(C)(C)C 7a_100000765024_100000210211 [1,2,0,0,0,0|0,0,0]=3 29780 B10R0.22 CCCCOCCC(C)(C)O 34a_100000210227_100000702414 [1,2,0,0,0,0|0,0,0]=3 29781 B10R0.22 CCCCOCCC(C)(C)O 7a_100000210227_100000702414 [1,2,0,0,0,0|0,0,0]=3 29782 B10R0.22 CCCCOCCC(F)(F)F 34a_100000210227_100011219754 [1,2,0,0,0,0|1,0,0]=4 29783 B10R0.22 CCCCOCCC(F)(F)F 34a_100000752437_100000210210 [1,2,0,0,0,0|1,0,0]=4 29784 B10R0.22 CCCCOCCC(F)(F)F 7a_100000210227_100011219754 [1,2,0,0,0,0|1,0,0]=4 29785 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000210227_100000731031 [1,2,0,0,0,0|1,0,0]=4 29786 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000211924_100000210210 [1,2,0,0,0,0|1,0,0]=4 29787 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000210227_100000230027 [1,2,0,0,0,0|1,0,0]=4 29788 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000211924_100000210211 [1,2,0,0,0,0|1,0,0]=4 29789 B10R0.22 CCCCOCC[N+](C)(C)C 34a_100000210227_100000085578 [1,2,0,0,0,0|1,0,0]=4 29790 B10R0.22 CCCCOCC[N+](C)(C)C 7a_100000210227_100000085578 [1,2,0,0,0,0|1,0,0]=4 29791 B10R0.22 CCCCOCC[N+](C)(C)C 7a_200020618287_100000210211 [1,2,0,0,0,0|1,0,0]=4 29792 B10R0.22 CCCCOCC[Si](C)(C)C 34a_100000210227_200000733723 [1,2,0,0,0,0|0,1,0]=4 29793 B10R0.22 CCCCOCC[Si](C)(C)C 7a_100000039746_100000210211 [1,2,0,0,0,0|0,1,0]=4 29794 B10R0.22 CCCCOCC[Si](C)(C)C 7a_100000210227_200000733723 [1,2,0,0,0,0|0,1,0]=4 29795 B10R0.22 CCCCOCNC(C)(C)C 2230a_100000715429_100011995733 [1,2,0,0,0,0|1,0,0]=4 29796 B10R0.22 CCCCOCOC(C)(C)C 34a_100015890283_100011995733 [1,2,0,0,0,0|1,0,0]=4 29797 B10R0.22 CCCCOCSC(C)(C)C 62a_100000211941_100011995733 [1,2,0,0,0,0|1,0,0]=4 29798 B10R0.22 CCCCOCSC(C)(C)C 62a_100011995733_100000211941 [1,2,0,0,0,0|1,0,0]=4 29799 B10R0.22 CCCCSCCC(C)(C)C 62a_100000210211_100000755188 [1,2,0,0,0,0|0,1,0]=4 29800 B10R0.22 CCCCSCCC(C)(C)C 62a_100000755188_100000210210 [1,2,0,0,0,0|0,1,0]=4 29801 B10R0.22 CCCCSCCC(C)(C)O 62a_100000210211_100000702414 [1,2,0,0,0,0|0,1,0]=4 29802 B10R0.22 CCCCSCCC(C)(C)O 62a_100000702414_100000210210 [1,2,0,0,0,0|0,1,0]=4 29803 B10R0.22 CCCOCCCC(C)(C)O 34a_100000210258_100009888830 [1,2,0,0,0,0|0,0,0]=3 29804 B10R0.22 CCCOCCCC(F)(F)F 34a_100000210258_100011215983 [1,2,0,0,0,0|1,0,0]=4 29805 B10R0.22 CCCOCCCC(F)(F)F 34a_100000749235_100000210303 [1,2,0,0,0,0|1,0,0]=4 29806 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000210258_100000754308 [1,2,0,0,0,0|1,0,0]=4 29807 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000689940_100000210303 [1,2,0,0,0,0|1,0,0]=4 29808 B10R0.22 CCCOCCCS(=O)(=O)C 7a_100000689940_100000210303 [1,2,0,0,0,0|1,0,0]=4 29809 B10R0.22 CCCOCCC[N+](C)(C)C 34a_100000210258_100016990835 [1,2,0,0,0,0|1,0,0]=4 29810 B10R0.22 CCCOCCC[Si](C)(C)C 34a_100000210258_100011219597 [1,2,0,0,0,0|0,1,0]=4 29811 B10R0.22 CCCOCCC[Si](C)(C)C 7a_200011215415_100000210303 [1,2,0,0,0,0|0,1,0]=4 29812 B10R0.22 CCCOCCNC(C)(C)C 2230a_100000715429_100011215938 [1,2,0,0,0,0|1,0,0]=4 29813 B10R0.22 CCCOCCNC(C)(C)C 34a_100161115042_100000210625 [1,2,0,0,0,0|1,0,0]=4 29814 B10R0.22 CCCOCCOC(C)(C)C 34a_100000693234_100000210303 [1,2,0,0,0,0|1,0,0]=4 29815 B10R0.22 CCCOCCOC(C)(C)C 34a_100000752267_100000210625 [1,2,0,0,0,0|1,0,0]=4 29816 B10R0.22 CCCOCCOC(C)(C)C 34a_100015890283_100011215938 [1,2,0,0,0,0|1,0,0]=4 29817 B10R0.22 CCCOCCOC(C)(C)C 7a_100000693234_100000210303 [1,2,0,0,0,0|1,0,0]=4 29818 B10R0.22 CCCOCCOC(C)(C)C 7a_100015890283_100011215938 [1,2,0,0,0,0|1,0,0]=4 29819 B10R0.22 CCCOCCSC(C)(C)C 62a_100000211941_100011215938 [1,2,0,0,0,0|1,0,0]=4 29820 B10R0.22 CCCOCCSC(C)(C)C 62a_100011215938_100000211941 [1,2,0,0,0,0|1,0,0]=4 29821 B10R0.22 CCCSCCCC(C)(C)O 62a_100000210303_100009888830 [1,2,0,0,0,0|0,1,0]=4 29822 B10R0.22 CCCSCCCC(C)(C)O 62a_100009888830_100000210303 [1,2,0,0,0,0|0,1,0]=4 29823 B10R0.22 CCOCCOCC(C)(C)C 34a_100000210136_100011219605 [1,2,0,0,0,0|1,0,0]=4 29824 B10R0.22 CCOCCOCC(C)(C)F 34a_100000210136_100011997219 [1,2,0,0,0,0|1,0,0]=4 29825 B10R0.22 CCOCCOCC(C)(C)F 34a_100000716592_100000210147 [1,2,0,0,0,0|1,0,0]=4 29826 B10R0.22 CCOCCOCC(C)(C)O 34a_100000210136_100000764493 [1,2,0,0,0,0|1,0,0]=4 29827 B10R0.22 CCOCCOCC(C)(C)O 7a_100000210136_100000764493 [1,2,0,0,0,0|1,0,0]=4 29828 B10R0.22 CCOCCOCC(C)(F)F 34a_100000068830_100000210147 [1,2,0,0,0,0|1,0,0]=4 29829 B10R0.22 CCSCCOCC(C)(C)C 34a_100000212035_100011219605 [1,2,0,0,0,0|1,0,0]=4 29830 B10R0.22 CCSCCOCC(C)(C)F 34a_100000212035_100011997219 [1,2,0,0,0,0|1,0,0]=4 29831 B10R0.22 CCSCCOCC(C)(C)F 34a_100000716592_100000757381 [1,2,0,0,0,0|1,0,0]=4 29832 B10R0.22 CCSCCOCC(C)(C)O 34a_100000212035_100000764493 [1,2,0,0,0,0|1,0,0]=4 29833 B10R0.22 CCSCCOCC(C)(C)O 7a_100000212035_100000764493 [1,2,0,0,0,0|1,0,0]=4 29834 B10R0.22 CCSCCOCC(C)(F)F 34a_100000068830_100000757381 [1,2,0,0,0,0|1,0,0]=4 29835 B10R0.22 CNCCCCCC(C)(C)O 2230a_106832991635_100010402123 [1,2,0,0,0,0|1,0,0]=4 29836 B10R0.22 CNCCCCCC(C)(C)O 34a_100102657272_100010402123 [1,2,0,0,0,0|1,0,0]=4 29837 B10R0.22 CNCCCCCC(C)(C)O 7a_106832991635_100010402123 [1,2,0,0,0,0|1,0,0]=4 29838 B10R0.22 CNCCCOCC(C)(C)C 34a_100000213112_100011219605 [1,2,0,0,0,0|1,0,0]=4 29839 B10R0.22 CNCCCOCC(C)(C)F 34a_100000213112_100011997219 [1,2,0,0,0,0|1,0,0]=4 29840 B10R0.22 CNCCCOCC(C)(C)O 34a_100000213112_100000764493 [1,2,0,0,0,0|1,0,0]=4 29841 B10R0.22 COCCCCCC(C)(C)O 34a_100138415774_100010402123 [1,2,0,0,0,0|1,0,0]=4 29842 B10R0.22 COCCCOCC(C)(C)C 34a_100000740835_100011219605 [1,2,0,0,0,0|1,0,0]=4 29843 B10R0.22 COCCCOCC(C)(C)F 34a_100000716592_100000740836 [1,2,0,0,0,0|1,0,0]=4 29844 B10R0.22 COCCCOCC(C)(C)F 34a_100000740835_100011997219 [1,2,0,0,0,0|1,0,0]=4 29845 B10R0.22 COCCCOCC(C)(C)O 34a_100000740835_100000764493 [1,2,0,0,0,0|1,0,0]=4 29846 B10R0.22 COCCCOCC(C)(F)F 34a_100000068830_100000740836 [1,2,0,0,0,0|1,0,0]=4 29847 B10R0.22 COCCOCCC(C)(C)C 34a_100000210237_100000755188 [1,2,0,0,0,0|1,0,0]=4 29848 B10R0.22 COCCOCCC(C)(C)C 7a_100000765024_100000233755 [1,2,0,0,0,0|1,0,0]=4 29849 B10R0.22 COCCOCCC(C)(C)O 34a_100000210237_100000702414 [1,2,0,0,0,0|1,0,0]=4 29850 B10R0.22 CSCCCCCC(C)(C)O 62a_100010402123_200000210301 [1,2,0,0,0,0|1,0,0]=4 29851 B10R0.22 CSCCCCCC(C)(C)O 62a_200000210301_100010402123 [1,2,0,0,0,0|1,0,0]=4 29852 B10R0.22 CSCCCOCC(C)(C)C 34a_100000690336_100011219605 [1,2,0,0,0,0|1,0,0]=4 29853 B10R0.22 CSCCCOCC(C)(C)F 34a_100000690336_100011997219 [1,2,0,0,0,0|1,0,0]=4 29854 B10R0.22 CSCCCOCC(C)(C)O 34a_100000690336_100000764493 [1,2,0,0,0,0|1,0,0]=4 29855 B10R0.22 CSCCCOCC(C)(C)O 7a_100000690336_100000764493 [1,2,0,0,0,0|1,0,0]=4 29856 B10R0.22 CSCCOCCC(C)(C)C 34a_100000230434_100000755188 [1,2,0,0,0,0|1,0,0]=4 29857 B10R0.22 CSCCOCCC(C)(C)C 7a_100000230434_100000755188 [1,2,0,0,0,0|1,0,0]=4 29858 B10R0.22 CSCCOCCC(C)(C)C 7a_100000765024_100000212216 [1,2,0,0,0,0|1,0,0]=4 29859 B10R0.22 CSCCOCCC(C)(C)O 34a_100000230434_100000702414 [1,2,0,0,0,0|1,0,0]=4 29860 B10R0.22 CSCCOCCC(C)(C)O 7a_100000230434_100000702414 [1,2,0,0,0,0|1,0,0]=4 29861 B10R0.55 C=C(C)CCOCC(C)CC 34a_100000764851_100000748023 [1,2,0,0,0,0|0,0,1]=4 29862 B10R0.55 C=C(C)CCOCC(O)CC 34a_100000764851_100011218378 [1,2,0,0,0,0|0,0,1]=4 29863 B10R0.55 C=C(C)CCOC[C@@H](C)CC 34a_100000764851_100009816398 [1,2,0,0,0,0|0,0,1]=4 29864 B10R0.55 C=C(C)CCOC[C@@H](C)CC 7a_100009816381_100000730704 [1,2,0,0,0,0|0,0,1]=4 29865 B10R0.55 C=C(C)COCCC(C)CC 7a_100011215188_100000748629 [1,2,0,0,0,0|0,0,1]=4 29866 B10R0.55 CC(Br)CCOCC(O)CO 34a_100009893172_100011219619 [1,2,0,0,0,0|1,0,0]=4 29867 B10R0.55 CC(Br)CCOC[C@@H](C)CO 34a_100009893172_100000059175 [1,2,0,0,0,0|1,0,0]=4 29868 B10R0.55 CC(Br)CCOC[C@@H](O)CF 34a_100009893172_100015614560 [1,2,0,0,0,0|1,0,0]=4 29869 B10R0.55 CC(Br)CCOC[C@@H](O)CO 34a_100009893172_100009815848 [1,2,0,0,0,0|1,0,0]=4 29870 B10R0.55 CC(C)CCCOC(C)CF 34a_100016041109_100011214892 [1,2,0,0,0,0|1,0,0]=4 29871 B10R0.55 CC(C)CCCOC(C)CF 7a_100016041109_100011214892 [1,2,0,0,0,0|1,0,0]=4 29872 B10R0.55 CC(C)CCCOC(C)CN 34a_100000210904_100011214892 [1,2,0,0,0,0|1,0,0]=4 29873 B10R0.55 CC(C)CCCOC(C)CO 34a_100000210774_100012180447 [1,2,0,0,0,0|1,0,0]=4 29874 B10R0.55 CC(C)CCCOC(C)CO 7a_100000210774_100012180447 [1,2,0,0,0,0|1,0,0]=4 29875 B10R0.55 CC(C)CCOCC(C)CN 34a_100000744482_100000210312 [1,2,0,0,0,0|1,0,0]=4 29876 B10R0.55 CC(C)CCOCC(Cl)CCl 34a_100000033668_100000210312 [1,2,0,0,0,0|1,0,0]=4 29877 B10R0.55 CC(C)CCOCC(O)CO 34a_100000210254_100011219619 [1,2,0,0,0,0|1,0,0]=4 29878 B10R0.55 CC(C)CCOCC(O)CO 7a_100000210254_100011219619 [1,2,0,0,0,0|1,0,0]=4 29879 B10R0.55 CC(C)CCOC[C@@H](C)CO 34a_100000210254_100000059175 [1,2,0,0,0,0|1,0,0]=4 29880 B10R0.55 CC(C)CCOC[C@@H](C)CO 7a_100000210254_100000059175 [1,2,0,0,0,0|1,0,0]=4 29881 B10R0.55 CC(C)CCOC[C@@H](O)CF 34a_100000210254_100015614560 [1,2,0,0,0,0|1,0,0]=4 29882 B10R0.55 CC(C)CCOC[C@@H](O)CF 7a_100000210254_100015614560 [1,2,0,0,0,0|1,0,0]=4 29883 B10R0.55 CC(C)CCOC[C@@H](O)CO 34a_100000210254_100009815848 [1,2,0,0,0,0|1,0,0]=4 29884 B10R0.55 CC(C)CCOC[C@@H](O)CO 7a_100000210254_100009815848 [1,2,0,0,0,0|1,0,0]=4 29885 B10R0.55 CC(C)CCOC[C@H](F)CN 34a_100015665980_100000210312 [1,2,0,0,0,0|1,0,0]=4 29886 B10R0.55 CC(O)CCCOC(C)CF 34a_100016041109_200000718107 [1,2,0,0,0,0|1,0,0]=4 29887 B10R0.55 CC(O)CCCOC(C)CF 7a_100016041109_200000718107 [1,2,0,0,0,0|1,0,0]=4 29888 B10R0.55 CC(O)CCCOC(C)CN 34a_100000210904_200000718107 [1,2,0,0,0,0|1,0,0]=4 29889 B10R0.55 CC(O)CCOCC(C)CN 34a_100000744482_100012276601 [1,2,0,0,0,0|1,0,0]=4 29890 B10R0.55 CC(O)CCOCC(Cl)CCl 34a_100000033668_100012276601 [1,2,0,0,0,0|1,0,0]=4 29891 B10R0.55 CC(O)CCOC[C@H](F)CN 34a_100015665980_100012276601 [1,2,0,0,0,0|1,0,0]=4 29892 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [1,2,0,0,0,0|0,0,1]=4 29893 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [1,2,0,0,0,0|0,0,1]=4 29894 B10R0.55 CCC(=O)COCCC(C)C 34a_100000725409_100000210312 [1,2,0,0,0,0|0,0,1]=4 29895 B10R0.55 CCC(=O)COCCC(C)C 7a_100000210254_100000747405 [1,2,0,0,0,0|0,0,1]=4 29896 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [1,2,0,0,0,0|0,0,1]=4 29897 B10R0.55 CCC(C)CCCOC(C)C 7a_100011216074_100000210206 [1,2,0,0,0,0|1,0,0]=4 29898 B10R0.55 CCC(C)CCNCC(C)C 2230a_100020591266_100000210760 [1,2,0,0,0,0|1,0,0]=4 29899 B10R0.55 CCC(C)CCNCC(C)C 270004a_100020591266_100000210432 [1,2,0,0,0,0|1,0,0]=4 29900 B10R0.55 CCC(C)CCNCC(C)O 2230a_100020591266_100011218427 [1,2,0,0,0,0|1,0,0]=4 29901 B10R0.55 CCC(C)CCNC[C@@H](C)O 2230a_100020591266_100009817552 [1,2,0,0,0,0|1,0,0]=4 29902 B10R0.55 CCC(C)CCOCC(C)C 7a_100011215188_100000210760 [1,2,0,0,0,0|0,0,0]=3 29903 B10R0.55 CCC(C)CCOCC(C)O 7a_100011215188_100011218427 [1,2,0,0,0,0|0,0,0]=3 29904 B10R0.55 CCC(C)CCOCC(F)F 7a_100011215188_100011934356 [1,2,0,0,0,0|1,0,0]=4 29905 B10R0.55 CCC(C)CCOC[C@@H](C)O 7a_100011215188_100009817552 [1,2,0,0,0,0|0,0,0]=3 29906 B10R0.55 CCC(C)CNCCC(C)C 2230a_100020588543_100000210312 [1,2,0,0,0,0|1,0,0]=4 29907 B10R0.55 CCC(C)CNCCC(C)C 269862a_100020588543_100000185833 [1,2,0,0,0,0|1,0,0]=4 29908 B10R0.55 CCC(C)CNCCC(C)C 270004a_100000210545_100000243153 [1,2,0,0,0,0|1,0,0]=4 29909 B10R0.55 CCC(C)CNCCC(C)O 2230a_100020588543_100012276601 [1,2,0,0,0,0|1,0,0]=4 29910 B10R0.55 CCC(C)CNCCC(C)O 2230a_200000755665_100000748023 [1,2,0,0,0,0|1,0,0]=4 29911 B10R0.55 CCC(C)CNCCC(C)O 270004a_200000755665_100000243153 [1,2,0,0,0,0|1,0,0]=4 29912 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [1,2,0,0,0,0|0,0,1]=4 29913 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [1,2,0,0,0,0|0,0,1]=4 29914 B10R0.55 CCC(C)COCCC(C)Br 34a_100009893172_100000748023 [1,2,0,0,0,0|0,0,0]=3 29915 B10R0.55 CCC(C)COCCC(C)C 34a_100000210254_100000748023 [1,2,0,0,0,0|0,0,0]=3 29916 B10R0.55 CCC(C)COCCC(C)C 7a_100000210254_100000748023 [1,2,0,0,0,0|0,0,0]=3 29917 B10R0.55 CCC(C)COCCC(F)F 34a_100103093639_100000748023 [1,2,0,0,0,0|1,0,0]=4 29918 B10R0.55 CCC(C)COCC[C@@H](C)N 34a_100000706166_100000748023 [1,2,0,0,0,0|0,0,0]=3 29919 B10R0.55 CCC(C)CSCCC(C)C 62a_100000210312_100000748023 [1,2,0,0,0,0|0,1,0]=4 29920 B10R0.55 CCC(C)CSCCC(C)C 62a_100000748023_100000210312 [1,2,0,0,0,0|0,1,0]=4 29921 B10R0.55 CCC(C)CSCCC(C)O 62a_100000748023_100012276601 [1,2,0,0,0,0|0,1,0]=4 29922 B10R0.55 CCC(C)CSCCC(C)O 62a_100012276601_100000748023 [1,2,0,0,0,0|0,1,0]=4 29923 B10R0.55 CCC(C)NCCCC(C)C 2230a_100000209981_100011214892 [1,2,0,0,0,0|1,0,0]=4 29924 B10R0.55 CCC(C)NCCCC(C)C 2230a_200000737386_100000758301 [1,2,0,0,0,0|1,0,0]=4 29925 B10R0.55 CCC(C)NCCCC(C)C 34a_200000737386_100011215416 [1,2,0,0,0,0|1,0,0]=4 29926 B10R0.55 CCC(C)NCCCC(C)O 2230a_100000209981_200000718107 [1,2,0,0,0,0|1,0,0]=4 29927 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [1,2,0,0,0,0|0,0,1]=4 29928 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [1,2,0,0,0,0|0,0,1]=4 29929 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [1,2,0,0,0,0|0,0,1]=4 29930 B10R0.55 CCC(C)OCCCC(C)C 34a_100000210774_100011215416 [1,2,0,0,0,0|0,0,0]=3 29931 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210228_100011214892 [1,2,0,0,0,0|0,0,0]=3 29932 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210774_100000758301 [1,2,0,0,0,0|0,0,0]=3 29933 B10R0.55 CCC(C)OCCCC(C)O 7a_100000210228_200000718107 [1,2,0,0,0,0|0,0,0]=3 29934 B10R0.55 CCC(C)OCCCN(C)C 7a_100000210228_100000757444 [1,2,0,0,0,0|1,0,0]=4 29935 B10R0.55 CCC(C)OCCNC(C)C 34a_100000224655_100011215416 [1,2,0,0,0,0|1,0,0]=4 29936 B10R0.55 CCC(C)OCCOC(C)C 34a_100000211219_100011215416 [1,2,0,0,0,0|1,0,0]=4 29937 B10R0.55 CCC(C)OCCOC(C)C 7a_100000210228_100000211751 [1,2,0,0,0,0|1,0,0]=4 29938 B10R0.55 CCC(C)OCCOC(C)C 7a_100000211219_100000758301 [1,2,0,0,0,0|1,0,0]=4 29939 B10R0.55 CCC(C)OCCSC(C)C 34a_200011212901_100011215416 [1,2,0,0,0,0|1,0,0]=4 29940 B10R0.55 CCC(C)OCCSC(C)C 7a_100000210228_100000730970 [1,2,0,0,0,0|1,0,0]=4 29941 B10R0.55 CCC(C)OCCSC(C)C 7a_200011212901_100000758301 [1,2,0,0,0,0|1,0,0]=4 29942 B10R0.55 CCC(C)SCCCC(C)C 62a_100000758301_100011214892 [1,2,0,0,0,0|0,1,0]=4 29943 B10R0.55 CCC(C)SCCCC(C)C 62a_100011214892_100000758301 [1,2,0,0,0,0|0,1,0]=4 29944 B10R0.55 CCC(C)SCCCC(C)O 62a_100000758301_200000718107 [1,2,0,0,0,0|0,1,0]=4 29945 B10R0.55 CCC(C)SCCCC(C)O 62a_200000718107_100000758301 [1,2,0,0,0,0|0,1,0]=4 29946 B10R0.55 CCC(O)CNCCC(C)C 2230a_100011218483_100000210312 [1,2,0,0,0,0|1,0,0]=4 29947 B10R0.55 CCC(O)CNCCC(C)C 269862a_100011218483_100000185833 [1,2,0,0,0,0|1,0,0]=4 29948 B10R0.55 CCC(O)CNCCC(C)O 2230a_100011218483_100012276601 [1,2,0,0,0,0|1,0,0]=4 29949 B10R0.55 CCC(O)CNCCC(C)O 2230a_200000755665_100011218378 [1,2,0,0,0,0|1,0,0]=4 29950 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [1,2,0,0,0,0|0,0,1]=4 29951 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [1,2,0,0,0,0|0,0,1]=4 29952 B10R0.55 CCC(O)COCCC(C)Br 34a_100009893172_100011218378 [1,2,0,0,0,0|0,0,0]=3 29953 B10R0.55 CCC(O)COCCC(C)C 34a_100000210254_100011218378 [1,2,0,0,0,0|0,0,0]=3 29954 B10R0.55 CCC(O)COCCC(C)C 7a_100000210254_100011218378 [1,2,0,0,0,0|0,0,0]=3 29955 B10R0.55 CCC(O)COCCC(F)F 34a_100103093639_100011218378 [1,2,0,0,0,0|1,0,0]=4 29956 B10R0.55 CCC(O)COCC[C@@H](C)N 34a_100000706166_100011218378 [1,2,0,0,0,0|0,0,0]=3 29957 B10R0.55 CCC(O)CSCCC(C)C 62a_100000210312_100011218378 [1,2,0,0,0,0|0,1,0]=4 29958 B10R0.55 CCC(O)CSCCC(C)C 62a_100011218378_100000210312 [1,2,0,0,0,0|0,1,0]=4 29959 B10R0.55 CCC(O)CSCCC(C)O 62a_100011218378_100012276601 [1,2,0,0,0,0|0,1,0]=4 29960 B10R0.55 CCC(O)CSCCC(C)O 62a_100012276601_100011218378 [1,2,0,0,0,0|0,1,0]=4 29961 B10R0.55 CCN(C)CCCCC(C)C 2230a_100000225621_100011216152 [1,2,0,0,0,0|1,0,0]=4 29962 B10R0.55 CCN(C)CCCCC(C)C 269982a_100000225621_100011216152 [1,2,0,0,0,0|1,0,0]=4 29963 B10R0.55 CC[C@H](C)CNCCC(C)O 2230a_200000755665_100009816398 [1,2,0,0,0,0|1,0,0]=4 29964 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [1,2,0,0,0,0|0,0,1]=4 29965 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [1,2,0,0,0,0|0,0,1]=4 29966 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [1,2,0,0,0,0|0,0,1]=4 29967 B10R0.55 CC[C@H](C)COCCC(C)Br 34a_100009893172_100009816398 [1,2,0,0,0,0|0,0,0]=3 29968 B10R0.55 CC[C@H](C)COCCC(C)C 34a_100000210254_100009816398 [1,2,0,0,0,0|0,0,0]=3 29969 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100000210254_100009816398 [1,2,0,0,0,0|0,0,0]=3 29970 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100009816381_100000210626 [1,2,0,0,0,0|0,0,0]=3 29971 B10R0.55 CC[C@H](C)COCCC(C)O 7a_100009816381_100012276601 [1,2,0,0,0,0|0,0,0]=3 29972 B10R0.55 CC[C@H](C)COCCC(F)F 34a_100103093639_100009816398 [1,2,0,0,0,0|1,0,0]=4 29973 B10R0.55 CC[C@H](C)COCCN(C)C 7a_100009816381_100000755713 [1,2,0,0,0,0|1,0,0]=4 29974 B10R0.55 CC[C@H](C)COCC[C@@H](C)N 34a_100000706166_100009816398 [1,2,0,0,0,0|0,0,0]=3 29975 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100000210312_100009816398 [1,2,0,0,0,0|0,1,0]=4 29976 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100009816398_100000210312 [1,2,0,0,0,0|0,1,0]=4 29977 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100009816398_100012276601 [1,2,0,0,0,0|0,1,0]=4 29978 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100012276601_100009816398 [1,2,0,0,0,0|0,1,0]=4 29979 B10R0.55 CNC(C)CCOCC(C)C 270004a_106832991635_200011216429 [1,2,0,0,0,0|1,0,0]=4 29980 B10R0.55 COC(C)CCOCC(C)C 7a_100000764861_100000210760 [1,2,0,0,0,0|1,0,0]=4 29981 B10R0.55 COC(C)CCOCC(C)O 7a_100000764861_100011218427 [1,2,0,0,0,0|1,0,0]=4 29982 B10R0.55 COC(C)CCOC[C@@H](C)O 7a_100000764861_100009817552 [1,2,0,0,0,0|1,0,0]=4 29983 B10R0.55 COC(C)COCCC(C)C 34a_100000690652_100000210312 [1,2,0,0,0,0|1,0,0]=4 29984 B10R0.55 COC(C)COCCC(C)O 34a_100000690652_100012276601 [1,2,0,0,0,0|1,0,0]=4 29985 B10R0.55 C[C@@H](CO)COCC[C@@H](C)N 34a_100000706166_100000059175 [1,2,0,0,0,0|1,0,0]=4 29986 B10R0.55 C[C@@H](N)CCOCC(O)CO 34a_100000706166_100011219619 [1,2,0,0,0,0|1,0,0]=4 29987 B10R0.55 C[C@@H](N)CCOC[C@@H](O)CF 34a_100000706166_100015614560 [1,2,0,0,0,0|1,0,0]=4 29988 B10R0.55 C[C@@H](N)CCOC[C@@H](O)CO 34a_100000706166_100009815848 [1,2,0,0,0,0|1,0,0]=4 29989 B10R0.75 CC(C)C(C)OCCCCF 7a_100000748068_100000729493 [1,2,0,0,0,0|1,0,0]=4 29990 B10R0.75 CC(C)C(C)OCCCCO 7a_100000748068_100000210776 [1,2,0,0,0,0|1,0,0]=4 29991 B10R0.75 CC(C)C(N)CCOCCF 34a_100161115045_100011217306 [1,2,0,0,0,0|1,0,0]=4 29992 B10R0.75 CC(C)C(N)CCOCCO 34a_100161115045_100000211926 [1,2,0,0,0,0|1,0,0]=4 29993 B10R0.75 CC(C)[C@@H](N)COCCCF 34a_100011830312_100011934791 [1,2,0,0,0,0|1,0,0]=4 29994 B10R0.75 CC(C)[C@@H](N)COCCCO 34a_100011830312_100000230001 [1,2,0,0,0,0|1,0,0]=4 29995 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [1,2,0,0,0,0|0,0,1]=4 29996 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [1,2,0,0,0,0|0,0,1]=4 29997 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [1,2,0,0,0,0|0,0,1]=4 29998 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [1,2,0,0,0,0|0,0,1]=4 29999 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [1,2,0,0,0,0|0,0,1]=4 30000 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [1,2,0,0,0,0|0,0,1]=4 30001 B10R0.75 CCCCCCC(C)N(C)C 2230a_100102631434_100011215978 [1,2,0,0,0,0|1,0,0]=4 30002 B10R0.75 CCCCCCC(C)N(C)C 269982a_100102631434_100011215978 [1,2,0,0,0,0|1,0,0]=4 30003 B10R0.75 CCCCCCC(C)N(C)C 270004a_100102631434_100000210826 [1,2,0,0,0,0|1,0,0]=4 30004 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [1,2,0,0,0,0|0,0,1]=4 30005 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [1,2,0,0,0,0|0,0,1]=4 30006 B10R0.75 CCCCCCN(C)C(C)C 2230a_106256046315_100000210206 [1,2,0,0,0,0|1,0,0]=4 30007 B10R0.75 CCCCCCN(C)C(C)C 269982a_106256046315_100000210206 [1,2,0,0,0,0|1,0,0]=4 30008 B10R0.75 CCCCCCN(C)C(C)C 269982a_200000211004_100000210757 [1,2,0,0,0,0|1,0,0]=4 30009 B10R0.75 CCCCCNC(C)C(C)C 2230a_100000211541_100000210326 [1,2,0,0,0,0|1,0,0]=4 30010 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [1,2,0,0,0,0|0,0,1]=4 30011 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [1,2,0,0,0,0|0,0,1]=4 30012 B10R0.75 CCCCCOC(C)C(C)C 7a_100000748068_100000210326 [1,2,0,0,0,0|0,0,0]=3 30013 B10R0.75 CCCCNCC(O)C(C)C 2230a_100000759067_100000210211 [1,2,0,0,0,0|1,0,0]=4 30014 B10R0.75 CCCCNCC(O)C(C)C 34a_100000759067_100000210210 [1,2,0,0,0,0|1,0,0]=4 30015 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000210198_100011995733 [1,2,0,0,0,0|0,0,1]=4 30016 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000757543_100000210206 [1,2,0,0,0,0|0,0,1]=4 30017 B10R0.75 CCCCOCC(=O)C(C)C 34a_100000210227_100000753385 [1,2,0,0,0,0|0,0,1]=4 30018 B10R0.75 CCCCOCC(=O)C(C)C 7a_100000210227_100000753385 [1,2,0,0,0,0|0,0,1]=4 30019 B10R0.75 CCCCOCC(=O)C(C)F 1458a_100000062450_100011995733 [1,2,0,0,0,0|0,0,1]=4 30020 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [1,2,0,0,0,0|0,0,1]=4 30021 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [1,2,0,0,0,0|0,0,1]=4 30022 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [1,2,0,0,0,0|0,0,1]=4 30023 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [1,2,0,0,0,0|0,0,1]=4 30024 B10R0.75 CCCCOCN(C)C(C)C 269982a_200000211004_100011995733 [1,2,0,0,0,0|1,0,0]=4 30025 B10R0.75 CCCCOC[C@H](N)C(C)C 34a_100011830312_100000210210 [1,2,0,0,0,0|0,0,0]=3 30026 B10R0.75 CCCOCCC(=O)C(C)C 1458a_100000210198_100011215938 [1,2,0,0,0,0|0,0,1]=4 30027 B10R0.75 CCCOCCC(=O)C(C)F 1458a_100000062450_100011215938 [1,2,0,0,0,0|0,0,1]=4 30028 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [1,2,0,0,0,0|0,0,1]=4 30029 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [1,2,0,0,0,0|0,0,1]=4 30030 B10R0.75 CCCOCCC(N)C(C)C 34a_100161115045_100000210303 [1,2,0,0,0,0|0,0,0]=3 30031 B10R0.75 CCCOCCN(C)C(C)C 269982a_200000211004_100011215938 [1,2,0,0,0,0|1,0,0]=4 30032 B10R0.75 CCOCCOC(C)C(C)C 7a_100000748068_100011215890 [1,2,0,0,0,0|1,0,0]=4 30033 B10R0.75 CCSCCOC(C)C(C)C 7a_100000748068_100000757381 [1,2,0,0,0,0|1,0,0]=4 30034 B10R0.75 COCCCOC(C)C(C)C 7a_100000748068_100000740836 [1,2,0,0,0,0|1,0,0]=4 30035 B10R0.75 COCCOC[C@H](N)C(C)C 34a_100011830312_100011201679 [1,2,0,0,0,0|1,0,0]=4 30036 B10R0.75 CSCCOC[C@H](N)C(C)C 34a_100011830312_100000212216 [1,2,0,0,0,0|1,0,0]=4 30037 B10R0.75 CSCOCCC(N)C(C)C 34a_100161115045_100011218213 [1,2,0,0,0,0|1,0,0]=4 30038 B10R0.78 C=C(C)COC(C)CCCC 34a_100000210245_200011215066 [1,2,0,0,0,0|0,0,1]=4 30039 B10R0.78 C=C(C)COC(C)CCCC 34a_100000687866_100000748629 [1,2,0,0,0,0|0,0,1]=4 30040 B10R0.78 C=C(C)COC(C)CCCC 7a_100000687866_100000748629 [1,2,0,0,0,0|0,0,1]=4 30041 B10R0.78 CC(C)CCC(C)OCCBr 34a_100000211926_100011261404 [1,2,0,0,0,0|1,0,0]=4 30042 B10R0.78 CC(C)CCC(C)OCCF 34a_100011215350_100011217306 [1,2,0,0,0,0|1,0,0]=4 30043 B10R0.78 CC(C)CCC(C)OCCF 7a_100011215350_100011217306 [1,2,0,0,0,0|1,0,0]=4 30044 B10R0.78 CC(C)CCC(C)OCCN 34a_100000210304_100011261404 [1,2,0,0,0,0|1,0,0]=4 30045 B10R0.78 CC(C)CCC(C)OCCO 34a_100011215350_100000211926 [1,2,0,0,0,0|1,0,0]=4 30046 B10R0.78 CC(C)CCC(C)OCCO 7a_100011215350_100000211926 [1,2,0,0,0,0|1,0,0]=4 30047 B10R0.78 CC(C)COC(C)CCCCl 34a_200000718107_100000210624 [1,2,0,0,0,0|1,0,0]=4 30048 B10R0.78 CC(C)COC(C)CCCCl 7a_200000718107_100000210760 [1,2,0,0,0,0|1,0,0]=4 30049 B10R0.78 CC(CCCCl)OC[C@@H](C)O 34a_200000718107_100009817552 [1,2,0,0,0,0|1,0,0]=4 30050 B10R0.78 CC(CCCCl)OC[C@@H](C)O 7a_200000718107_100009817552 [1,2,0,0,0,0|1,0,0]=4 30051 B10R0.78 CC(O)COC(C)CCCCl 34a_200000718107_100011218427 [1,2,0,0,0,0|1,0,0]=4 30052 B10R0.78 CC(O)COC(C)CCCCl 7a_200000718107_100011218427 [1,2,0,0,0,0|1,0,0]=4 30053 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [1,2,0,0,0,0|0,0,1]=4 30054 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [1,2,0,0,0,0|0,0,1]=4 30055 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [1,2,0,0,0,0|0,0,1]=4 30056 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [1,2,0,0,0,0|0,0,1]=4 30057 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [1,2,0,0,0,0|0,0,1]=4 30058 B10R0.78 CCCCC(C)COC(C)C 34a_100011995851_100000210206 [1,2,0,0,0,0|1,0,0]=4 30059 B10R0.78 CCCCC(C)COC(C)C 7a_100011995851_100000210206 [1,2,0,0,0,0|1,0,0]=4 30060 B10R0.78 CCCCC(C)NCC(C)C 2230a_100000126638_100000210760 [1,2,0,0,0,0|1,0,0]=4 30061 B10R0.78 CCCCC(C)NCC(C)C 2230a_100000210953_200011215066 [1,2,0,0,0,0|1,0,0]=4 30062 B10R0.78 CCCCC(C)NCC(C)C 270004a_100000126638_100000210432 [1,2,0,0,0,0|1,0,0]=4 30063 B10R0.78 CCCCC(C)NCC(C)C 270004a_100000210953_100000210087 [1,2,0,0,0,0|1,0,0]=4 30064 B10R0.78 CCCCC(C)NCC(C)C 34a_100000210953_200011215066 [1,2,0,0,0,0|1,0,0]=4 30065 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000126638_100011218427 [1,2,0,0,0,0|1,0,0]=4 30066 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000210904_200011215066 [1,2,0,0,0,0|1,0,0]=4 30067 B10R0.78 CCCCC(C)NCC(C)O 270004a_100000210904_100000210087 [1,2,0,0,0,0|1,0,0]=4 30068 B10R0.78 CCCCC(C)NCC(C)O 34a_100000210904_200011215066 [1,2,0,0,0,0|1,0,0]=4 30069 B10R0.78 CCCCC(C)NC[C@@H](C)O 2230a_100000126638_100009817552 [1,2,0,0,0,0|1,0,0]=4 30070 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [1,2,0,0,0,0|0,0,1]=4 30071 B10R0.78 CCCCC(C)OCC(C)Br 34a_100012180447_200011215066 [1,2,0,0,0,0|0,0,0]=3 30072 B10R0.78 CCCCC(C)OCC(C)C 34a_100000210257_200011215066 [1,2,0,0,0,0|0,0,0]=3 30073 B10R0.78 CCCCC(C)OCC(C)C 34a_100000687866_100000210624 [1,2,0,0,0,0|0,0,0]=3 30074 B10R0.78 CCCCC(C)OCC(C)C 7a_100000687866_100000210760 [1,2,0,0,0,0|0,0,0]=3 30075 B10R0.78 CCCCC(C)OCC(C)F 34a_100015925927_200011215066 [1,2,0,0,0,0|0,0,0]=3 30076 B10R0.78 CCCCC(C)OCC(C)O 34a_100000687866_100011218427 [1,2,0,0,0,0|0,0,0]=3 30077 B10R0.78 CCCCC(C)OCC(C)O 7a_100000687866_100011218427 [1,2,0,0,0,0|0,0,0]=3 30078 B10R0.78 CCCCC(C)OCC(F)F 34a_100000687866_100011934356 [1,2,0,0,0,0|1,0,0]=4 30079 B10R0.78 CCCCC(C)OCC(F)F 34a_100000743014_200011215066 [1,2,0,0,0,0|1,0,0]=4 30080 B10R0.78 CCCCC(C)OCC(F)F 7a_100000687866_100011934356 [1,2,0,0,0,0|1,0,0]=4 30081 B10R0.78 CCCCC(C)OC[C@@H](C)Cl 34a_100016084084_200011215066 [1,2,0,0,0,0|0,0,0]=3 30082 B10R0.78 CCCCC(C)OC[C@@H](C)N 34a_100000737577_200011215066 [1,2,0,0,0,0|0,0,0]=3 30083 B10R0.78 CCCCC(C)OC[C@@H](C)O 34a_100000687866_100009817552 [1,2,0,0,0,0|0,0,0]=3 30084 B10R0.78 CCCCC(C)OC[C@@H](C)O 7a_100000687866_100009817552 [1,2,0,0,0,0|0,0,0]=3 30085 B10R0.78 CCCCC(C)SCC(C)C 62a_100000210624_200011215066 [1,2,0,0,0,0|0,1,0]=4 30086 B10R0.78 CCCCC(C)SCC(C)C 62a_200011215066_100000210760 [1,2,0,0,0,0|0,1,0]=4 30087 B10R0.78 CCCCC(C)SCC(C)O 62a_100011218427_200011215066 [1,2,0,0,0,0|0,1,0]=4 30088 B10R0.78 CCCCC(C)SCC(C)O 62a_200011215066_100011218427 [1,2,0,0,0,0|0,1,0]=4 30089 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_100009817552_200011215066 [1,2,0,0,0,0|0,1,0]=4 30090 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_200011215066_100009817552 [1,2,0,0,0,0|0,1,0]=4 30091 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000207549_100000210312 [1,2,0,0,0,0|1,0,0]=4 30092 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000742789_100000210211 [1,2,0,0,0,0|1,0,0]=4 30093 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000207549_100000210312 [1,2,0,0,0,0|1,0,0]=4 30094 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000742789_100000210211 [1,2,0,0,0,0|1,0,0]=4 30095 B10R0.78 CCCCN(C)CCC(C)O 2230a_100000207549_100012276601 [1,2,0,0,0,0|1,0,0]=4 30096 B10R0.78 CCCCN(C)CCC(C)O 269982a_100000207549_100012276601 [1,2,0,0,0,0|1,0,0]=4 30097 B10R0.78 CCCC[C@H](N)COC(C)C 34a_100011934283_100000210206 [1,2,0,0,0,0|1,0,0]=4 30098 B10R0.78 CCCNC(C)CCC(C)C 2230a_100138410893_100000210303 [1,2,0,0,0,0|1,0,0]=4 30099 B10R0.78 CCCNC(C)CCC(C)C 270004a_100020643023_100000210476 [1,2,0,0,0,0|1,0,0]=4 30100 B10R0.78 CCCOC(C)CCC(C)C 34a_100000210258_100011261404 [1,2,0,0,0,0|0,0,0]=3 30101 B10R0.78 CCCOC(C)CCC(C)C 34a_100011215350_100000210303 [1,2,0,0,0,0|0,0,0]=3 30102 B10R0.78 CCCOC(C)CCC(C)C 7a_100011215350_100000210303 [1,2,0,0,0,0|0,0,0]=3 30103 B10R0.78 CCCOC(C)CNC(C)C 2230a_100015185124_100000210206 [1,2,0,0,0,0|1,0,0]=4 30104 B10R0.78 CCCOC(C)CNC(C)C 34a_100015185124_100000210206 [1,2,0,0,0,0|1,0,0]=4 30105 B10R0.78 CCCSC(C)CCC(C)C 62a_100000210303_100011261404 [1,2,0,0,0,0|0,1,0]=4 30106 B10R0.78 CCCSC(C)CCC(C)C 62a_100011261404_100000210303 [1,2,0,0,0,0|0,1,0]=4 30107 B10R0.78 CCOCC(C)OCC(C)C 34a_100000718985_100000210624 [1,2,0,0,0,0|1,0,0]=4 30108 B10R0.78 CCOCC(C)OCC(C)C 7a_100000718985_100000210760 [1,2,0,0,0,0|1,0,0]=4 30109 B10R0.78 CCOCC(C)OCC(C)O 34a_100000718985_100011218427 [1,2,0,0,0,0|1,0,0]=4 30110 B10R0.78 CCOCC(C)OCC(C)O 7a_100000718985_100011218427 [1,2,0,0,0,0|1,0,0]=4 30111 B10R0.78 CCOCC(C)OC[C@@H](C)O 34a_100000718985_100009817552 [1,2,0,0,0,0|1,0,0]=4 30112 B10R0.78 CCOCC(C)OC[C@@H](C)O 7a_100000718985_100009817552 [1,2,0,0,0,0|1,0,0]=4 30113 B10R0.78 CSCOC(C)CCC(C)C 34a_100011215350_100011218213 [1,2,0,0,0,0|1,0,0]=4 30114 B10R0.97 C=C(C)CCOCCC(C)Br 34a_100009893172_100000730704 [1,2,0,0,0,0|0,0,1]=4 30115 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000210254_100000730704 [1,2,0,0,0,0|0,0,1]=4 30116 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000764851_100000210312 [1,2,0,0,0,0|0,0,1]=4 30117 B10R0.97 C=C(C)CCOCCC(C)C 7a_100000210254_100000730704 [1,2,0,0,0,0|0,0,1]=4 30118 B10R0.97 C=C(C)CCOCCC(C)O 34a_100000764851_100012276601 [1,2,0,0,0,0|0,0,1]=4 30119 B10R0.97 C=C(C)CCOCC[C@@H](C)N 34a_100000706166_100000730704 [1,2,0,0,0,0|0,0,1]=4 30120 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210245_100011214892 [1,2,0,0,0,0|0,0,1]=4 30121 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210774_100000748629 [1,2,0,0,0,0|0,0,1]=4 30122 B10R0.97 C=C(C)COCCCC(C)C 7a_100000210774_100000748629 [1,2,0,0,0,0|0,0,1]=4 30123 B10R0.97 C=C(C)COCCCC(C)O 34a_100000210245_200000718107 [1,2,0,0,0,0|0,0,1]=4 30124 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [1,2,0,0,0,0|0,0,1]=4 30125 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [1,2,0,0,0,0|0,0,1]=4 30126 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [1,2,0,0,0,0|0,0,1]=4 30127 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [1,2,0,0,0,0|0,0,1]=4 30128 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [1,2,0,0,0,0|0,0,1]=4 30129 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [1,2,0,0,0,0|0,0,1]=4 30130 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [1,2,0,0,0,0|0,0,1]=4 30131 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [1,2,0,0,0,0|0,0,1]=4 30132 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [1,2,0,0,0,0|0,0,1]=4 30133 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [1,2,0,0,0,0|0,0,1]=4 30134 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [1,2,0,0,0,0|0,0,1]=4 30135 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [1,2,0,0,0,0|0,0,1]=4 30136 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [1,2,0,0,0,0|0,0,1]=4 30137 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [1,2,0,0,0,0|0,0,1]=4 30138 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [1,2,0,0,0,0|0,0,1]=4 30139 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [1,2,0,0,0,0|0,0,1]=4 30140 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [1,2,0,0,0,0|0,0,1]=4 30141 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [1,2,0,0,0,0|0,0,1]=4 30142 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [1,2,0,0,0,0|0,0,1]=4 30143 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [1,2,0,0,0,0|0,0,1]=4 30144 B10R0.97 CC(Br)CCOCOC(C)C 34a_100009893172_100000709892 [1,2,0,0,0,0|1,0,0]=4 30145 B10R0.97 CC(Br)COCCOC(C)C 34a_100012180447_100000211751 [1,2,0,0,0,0|1,0,0]=4 30146 B10R0.97 CC(Br)COCCSC(C)C 34a_100012180447_100000730970 [1,2,0,0,0,0|1,0,0]=4 30147 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [1,2,0,0,0,0|0,0,1]=4 30148 B10R0.97 CC(C)CCCCCN(C)C 2230a_100102631434_100000210682 [1,2,0,0,0,0|1,0,0]=4 30149 B10R0.97 CC(C)CCCCCN(C)C 269982a_100102631434_100000210682 [1,2,0,0,0,0|1,0,0]=4 30150 B10R0.97 CC(C)CCCCNC(C)C 2230a_100138425928_100011216152 [1,2,0,0,0,0|1,0,0]=4 30151 B10R0.97 CC(C)CCCCNC(C)C 34a_100138425928_100011216152 [1,2,0,0,0,0|1,0,0]=4 30152 B10R0.97 CC(C)CCCCOC(C)C 34a_100000212225_100011216152 [1,2,0,0,0,0|1,0,0]=4 30153 B10R0.97 CC(C)CCCCOC(C)C 34a_100011214890_100000210206 [1,2,0,0,0,0|1,0,0]=4 30154 B10R0.97 CC(C)CCCCOC(C)C 7a_100011214890_100000210206 [1,2,0,0,0,0|1,0,0]=4 30155 B10R0.97 CC(C)CCCCSC(C)C 62a_100000210206_100011216152 [1,2,0,0,0,0|1,0,0]=4 30156 B10R0.97 CC(C)CCCCSC(C)C 62a_100011216152_100000210206 [1,2,0,0,0,0|1,0,0]=4 30157 B10R0.97 CC(C)CCCNCC(C)C 2230a_100000210953_100011214892 [1,2,0,0,0,0|1,0,0]=4 30158 B10R0.97 CC(C)CCCNCC(C)C 2230a_200000737386_100000210760 [1,2,0,0,0,0|1,0,0]=4 30159 B10R0.97 CC(C)CCCNCC(C)C 270004a_200000737386_100000210432 [1,2,0,0,0,0|1,0,0]=4 30160 B10R0.97 CC(C)CCCNCC(C)C 34a_100000210953_100011214892 [1,2,0,0,0,0|1,0,0]=4 30161 B10R0.97 CC(C)CCCNCC(C)C 34a_200000737386_100000210624 [1,2,0,0,0,0|1,0,0]=4 30162 B10R0.97 CC(C)CCCNCC(C)O 2230a_100000210904_100011214892 [1,2,0,0,0,0|1,0,0]=4 30163 B10R0.97 CC(C)CCCNCC(C)O 2230a_200000737386_100011218427 [1,2,0,0,0,0|1,0,0]=4 30164 B10R0.97 CC(C)CCCNCC(C)O 34a_100000210904_100011214892 [1,2,0,0,0,0|1,0,0]=4 30165 B10R0.97 CC(C)CCCNCC(C)O 34a_200000737386_100011218427 [1,2,0,0,0,0|1,0,0]=4 30166 B10R0.97 CC(C)CCCNC[C@@H](C)O 2230a_200000737386_100009817552 [1,2,0,0,0,0|1,0,0]=4 30167 B10R0.97 CC(C)CCCNC[C@@H](C)O 34a_200000737386_100009817552 [1,2,0,0,0,0|1,0,0]=4 30168 B10R0.97 CC(C)CCCOCC(C)Br 34a_100012180447_100011214892 [1,2,0,0,0,0|0,0,0]=3 30169 B10R0.97 CC(C)CCCOCC(C)C 34a_100000210257_100011214892 [1,2,0,0,0,0|0,0,0]=3 30170 B10R0.97 CC(C)CCCOCC(C)C 34a_100000210774_100000210624 [1,2,0,0,0,0|0,0,0]=3 30171 B10R0.97 CC(C)CCCOCC(C)C 7a_100000210774_100000210760 [1,2,0,0,0,0|0,0,0]=3 30172 B10R0.97 CC(C)CCCOCC(C)F 34a_100015925927_100011214892 [1,2,0,0,0,0|0,0,0]=3 30173 B10R0.97 CC(C)CCCOCC(C)O 34a_100000210774_100011218427 [1,2,0,0,0,0|0,0,0]=3 30174 B10R0.97 CC(C)CCCOCC(C)O 7a_100000210774_100011218427 [1,2,0,0,0,0|0,0,0]=3 30175 B10R0.97 CC(C)CCCOCC(F)F 34a_100000210774_100011934356 [1,2,0,0,0,0|1,0,0]=4 30176 B10R0.97 CC(C)CCCOCC(F)F 34a_100000743014_100011214892 [1,2,0,0,0,0|1,0,0]=4 30177 B10R0.97 CC(C)CCCOCC(F)F 7a_100000210774_100011934356 [1,2,0,0,0,0|1,0,0]=4 30178 B10R0.97 CC(C)CCCOC[C@@H](C)Cl 34a_100016084084_100011214892 [1,2,0,0,0,0|0,0,0]=3 30179 B10R0.97 CC(C)CCCOC[C@@H](C)N 34a_100000737577_100011214892 [1,2,0,0,0,0|0,0,0]=3 30180 B10R0.97 CC(C)CCCOC[C@@H](C)O 34a_100000210774_100009817552 [1,2,0,0,0,0|0,0,0]=3 30181 B10R0.97 CC(C)CCCOC[C@@H](C)O 7a_100000210774_100009817552 [1,2,0,0,0,0|0,0,0]=3 30182 B10R0.97 CC(C)CCCSCC(C)C 62a_100000210624_100011214892 [1,2,0,0,0,0|0,1,0]=4 30183 B10R0.97 CC(C)CCCSCC(C)C 62a_100011214892_100000210760 [1,2,0,0,0,0|0,1,0]=4 30184 B10R0.97 CC(C)CCCSCC(C)O 62a_100011214892_100011218427 [1,2,0,0,0,0|0,1,0]=4 30185 B10R0.97 CC(C)CCCSCC(C)O 62a_100011218427_100011214892 [1,2,0,0,0,0|0,1,0]=4 30186 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100009817552_100011214892 [1,2,0,0,0,0|0,1,0]=4 30187 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100011214892_100009817552 [1,2,0,0,0,0|0,1,0]=4 30188 B10R0.97 CC(C)CCNCCC(C)C 269862a_100000210545_100000185833 [1,2,0,0,0,0|1,0,0]=4 30189 B10R0.97 CC(C)CCNCCC(C)O 2230a_200000755665_100000210312 [1,2,0,0,0,0|1,0,0]=4 30190 B10R0.97 CC(C)CCNCCC(C)O 269862a_200000755665_100000185833 [1,2,0,0,0,0|1,0,0]=4 30191 B10R0.97 CC(C)CCOCCC(C)Br 34a_100009893172_100000210312 [1,2,0,0,0,0|0,0,0]=3 30192 B10R0.97 CC(C)CCOCCC(C)C 34a_100000210254_100000210312 [1,2,0,0,0,0|0,0,0]=3 30193 B10R0.97 CC(C)CCOCCC(C)C 7a_100000210254_100000210626 [1,2,0,0,0,0|0,0,0]=3 30194 B10R0.97 CC(C)CCOCCC(C)O 34a_100000210254_100012276601 [1,2,0,0,0,0|0,0,0]=3 30195 B10R0.97 CC(C)CCOCCC(C)O 7a_100000210254_100012276601 [1,2,0,0,0,0|0,0,0]=3 30196 B10R0.97 CC(C)CCOCCC(F)F 34a_100103093639_100000210312 [1,2,0,0,0,0|1,0,0]=4 30197 B10R0.97 CC(C)CCOCCN(C)C 7a_100000210254_100000755713 [1,2,0,0,0,0|1,0,0]=4 30198 B10R0.97 CC(C)CCOCC[C@@H](C)N 34a_100000706166_100000210312 [1,2,0,0,0,0|0,0,0]=3 30199 B10R0.97 CC(C)CCOCOC(C)C 34a_100000210254_100000709892 [1,2,0,0,0,0|1,0,0]=4 30200 B10R0.97 CC(C)CCSCCC(C)C 62a_100000210312_100000210312 [1,2,0,0,0,0|0,1,0]=4 30201 B10R0.97 CC(C)CCSCCC(C)O 62a_100000210312_100012276601 [1,2,0,0,0,0|0,1,0]=4 30202 B10R0.97 CC(C)CCSCCC(C)O 62a_100012276601_100000210312 [1,2,0,0,0,0|0,1,0]=4 30203 B10R0.97 CC(C)CNCCCC(C)O 2230a_100000210953_200000718107 [1,2,0,0,0,0|1,0,0]=4 30204 B10R0.97 CC(C)CNCCCC(C)O 34a_100000210953_200000718107 [1,2,0,0,0,0|1,0,0]=4 30205 B10R0.97 CC(C)COCCCC(C)O 34a_100000210257_200000718107 [1,2,0,0,0,0|0,0,0]=3 30206 B10R0.97 CC(C)COCCNC(C)C 34a_100000224655_100000210624 [1,2,0,0,0,0|1,0,0]=4 30207 B10R0.97 CC(C)COCCOC(C)C 34a_100000210257_100000211751 [1,2,0,0,0,0|1,0,0]=4 30208 B10R0.97 CC(C)COCCOC(C)C 34a_100000211219_100000210624 [1,2,0,0,0,0|1,0,0]=4 30209 B10R0.97 CC(C)COCCOC(C)C 34a_100000703358_100000210206 [1,2,0,0,0,0|1,0,0]=4 30210 B10R0.97 CC(C)COCCOC(C)C 7a_100000211219_100000210760 [1,2,0,0,0,0|1,0,0]=4 30211 B10R0.97 CC(C)COCCOC(C)C 7a_100000703358_100000210206 [1,2,0,0,0,0|1,0,0]=4 30212 B10R0.97 CC(C)COCCSC(C)C 34a_100000210257_100000730970 [1,2,0,0,0,0|1,0,0]=4 30213 B10R0.97 CC(C)COCCSC(C)C 34a_200011212901_100000210624 [1,2,0,0,0,0|1,0,0]=4 30214 B10R0.97 CC(C)COCCSC(C)C 7a_200011212901_100000210760 [1,2,0,0,0,0|1,0,0]=4 30215 B10R0.97 CC(C)CSCCCC(C)O 62a_100000210624_200000718107 [1,2,0,0,0,0|0,1,0]=4 30216 B10R0.97 CC(C)CSCCCC(C)O 62a_200000718107_100000210760 [1,2,0,0,0,0|0,1,0]=4 30217 B10R0.97 CC(C)NCCOC[C@@H](C)O 34a_100000224655_100009817552 [1,2,0,0,0,0|1,0,0]=4 30218 B10R0.97 CC(C)OCCOC[C@@H](C)Cl 34a_100016084084_100000211751 [1,2,0,0,0,0|1,0,0]=4 30219 B10R0.97 CC(C)OCCOC[C@@H](C)N 34a_100000737577_100000211751 [1,2,0,0,0,0|1,0,0]=4 30220 B10R0.97 CC(C)OCCOC[C@@H](C)O 34a_100000211219_100009817552 [1,2,0,0,0,0|1,0,0]=4 30221 B10R0.97 CC(C)OCCOC[C@@H](C)O 7a_100000211219_100009817552 [1,2,0,0,0,0|1,0,0]=4 30222 B10R0.97 CC(C)OCOCC[C@@H](C)N 34a_100000706166_100000709892 [1,2,0,0,0,0|1,0,0]=4 30223 B10R0.97 CC(C)SCCOC[C@@H](C)Cl 34a_100016084084_100000730970 [1,2,0,0,0,0|1,0,0]=4 30224 B10R0.97 CC(C)SCCOC[C@@H](C)N 34a_100000737577_100000730970 [1,2,0,0,0,0|1,0,0]=4 30225 B10R0.97 CC(C)SCCOC[C@@H](C)O 34a_200011212901_100009817552 [1,2,0,0,0,0|1,0,0]=4 30226 B10R0.97 CC(C)SCCOC[C@@H](C)O 7a_200011212901_100009817552 [1,2,0,0,0,0|1,0,0]=4 30227 B10R0.97 CC(F)COCCOC(C)C 34a_100015925927_100000211751 [1,2,0,0,0,0|1,0,0]=4 30228 B10R0.97 CC(F)COCCSC(C)C 34a_100015925927_100000730970 [1,2,0,0,0,0|1,0,0]=4 30229 B10R0.97 CC(O)CCCNCC(C)O 2230a_100000210904_200000718107 [1,2,0,0,0,0|1,0,0]=4 30230 B10R0.97 CC(O)CCCNCC(C)O 34a_100000210904_200000718107 [1,2,0,0,0,0|1,0,0]=4 30231 B10R0.97 CC(O)CCCOCC(C)Br 34a_100012180447_200000718107 [1,2,0,0,0,0|0,0,0]=3 30232 B10R0.97 CC(O)CCCOCC(C)F 34a_100015925927_200000718107 [1,2,0,0,0,0|0,0,0]=3 30233 B10R0.97 CC(O)CCCOCC(F)F 34a_100000743014_200000718107 [1,2,0,0,0,0|1,0,0]=4 30234 B10R0.97 CC(O)CCCOC[C@@H](C)Cl 34a_100016084084_200000718107 [1,2,0,0,0,0|0,0,0]=3 30235 B10R0.97 CC(O)CCCOC[C@@H](C)N 34a_100000737577_200000718107 [1,2,0,0,0,0|0,0,0]=3 30236 B10R0.97 CC(O)CCCSCC(C)O 62a_100011218427_200000718107 [1,2,0,0,0,0|0,1,0]=4 30237 B10R0.97 CC(O)CCCSCC(C)O 62a_200000718107_100011218427 [1,2,0,0,0,0|0,1,0]=4 30238 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_100009817552_200000718107 [1,2,0,0,0,0|0,1,0]=4 30239 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_200000718107_100009817552 [1,2,0,0,0,0|0,1,0]=4 30240 B10R0.97 CC(O)CCNCCC(C)O 2230a_200000755665_100012276601 [1,2,0,0,0,0|1,0,0]=4 30241 B10R0.97 CC(O)CCOCCC(C)Br 34a_100009893172_100012276601 [1,2,0,0,0,0|0,0,0]=3 30242 B10R0.97 CC(O)CCOCCC(F)F 34a_100103093639_100012276601 [1,2,0,0,0,0|1,0,0]=4 30243 B10R0.97 CC(O)CCOCC[C@@H](C)N 34a_100000706166_100012276601 [1,2,0,0,0,0|0,0,0]=3 30244 B10R0.97 CC(O)CCSCCC(C)O 62a_100012276601_100012276601 [1,2,0,0,0,0|0,1,0]=4 30245 B10R0.97 CC(O)COCCNC(C)C 34a_100000224655_100011218427 [1,2,0,0,0,0|1,0,0]=4 30246 B10R0.97 CC(O)COCCOC(C)C 34a_100000211219_100011218427 [1,2,0,0,0,0|1,0,0]=4 30247 B10R0.97 CC(O)COCCOC(C)C 7a_100000211219_100011218427 [1,2,0,0,0,0|1,0,0]=4 30248 B10R0.97 CC(O)COCCSC(C)C 34a_200011212901_100011218427 [1,2,0,0,0,0|1,0,0]=4 30249 B10R0.97 CC(O)COCCSC(C)C 7a_200011212901_100011218427 [1,2,0,0,0,0|1,0,0]=4 30250 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [1,2,0,0,0,0|0,0,1]=4 30251 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [1,2,0,0,0,0|0,0,1]=4 30252 B10R0.2 CCCC(C)CN(C)CCC 2230a_100000747261_100011216630 [1,2,0,0,0,0|1,0,0]=4 30253 B10R0.2 CCCC(C)CN(C)CCC 269982a_100000747261_100011216630 [1,2,0,0,0,0|1,0,0]=4 30254 B10R0.2 CCCC(C)CN(C)CCC 270004a_100000747261_100000243154 [1,2,0,0,0,0|1,0,0]=4 30255 B10R0.2 CCCC(C)NC(C)CCC 2230a_100000741246_100000766640 [1,2,0,0,0,0|1,0,0]=4 30256 B10R0.2 CCCC(C)NC(C)CCC 270004a_100000741246_100000211909 [1,2,0,0,0,0|1,0,0]=4 30257 B10R0.2 CCCC(C)OC(C)CCBr 34a_100012276601_100000766640 [1,2,0,0,0,0|1,0,0]=4 30258 B10R0.2 CCCC(C)OC(C)CCC 34a_100000764384_100000766640 [1,2,0,0,0,0|0,0,0]=3 30259 B10R0.2 CCCC(C)OC(C)CCC 7a_100000764384_100000766640 [1,2,0,0,0,0|0,0,0]=3 30260 B10R0.2 CCCC(C)OC(C)CCO 34a_100000764384_100009893172 [1,2,0,0,0,0|1,0,0]=4 30261 B10R0.2 CCCC(C)OC(C)CCO 7a_100000764384_100009893172 [1,2,0,0,0,0|1,0,0]=4 30262 B10R0.2 CCCC(C)OC(C)COC 34a_100000764384_100000765312 [1,2,0,0,0,0|1,0,0]=4 30263 B10R0.2 CCCC(C)OC(C)COC 7a_100000764384_100000765312 [1,2,0,0,0,0|1,0,0]=4 30264 B10R0.2 CCCC(C)O[C@H](C)COC 34a_100011934205_100000766640 [1,2,0,0,0,0|1,0,0]=4 30265 B10R0.2 CCCC(C)SC(C)CCC 62a_100000766640_100000766640 [1,2,0,0,0,0|0,1,0]=4 30266 B10R0.19 CCCC(C)C(C)OCCF 34a_100000708338_100011217306 [1,2,0,0,0,0|1,0,0]=4 30267 B10R0.19 CCCC(C)C(C)OCCF 7a_100000708338_100011217306 [1,2,0,0,0,0|1,0,0]=4 30268 B10R0.19 CCCC(C)C(C)OCCO 34a_100000708338_100000211926 [1,2,0,0,0,0|1,0,0]=4 30269 B10R0.19 CCCC(C)C(C)OCCO 7a_100000708338_100000211926 [1,2,0,0,0,0|1,0,0]=4 30270 B10R0.19 CCCC(C)C(C)OCSC 34a_100000708338_100011218213 [1,2,0,0,0,0|1,0,0]=4 30271 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210183_100000766640 [1,2,0,0,0,0|0,0,1]=4 30272 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210906_100000210211 [1,2,0,0,0,0|0,0,1]=4 30273 B10R0.19 CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210211 [1,2,0,0,0,0|0,0,1]=4 30274 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [1,2,0,0,0,0|0,0,1]=4 30275 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [1,2,0,0,0,0|0,0,1]=4 30276 B10R0.19 CCCCC(C)N(C)CCC 2230a_100000747261_200011215066 [1,2,0,0,0,0|1,0,0]=4 30277 B10R0.19 CCCCC(C)N(C)CCC 269982a_100000747261_200011215066 [1,2,0,0,0,0|1,0,0]=4 30278 B10R0.19 CCCCC(C)N(C)CCC 270004a_100000747261_100000210087 [1,2,0,0,0,0|1,0,0]=4 30279 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [1,2,0,0,0,0|0,0,1]=4 30280 B10R0.19 CCCCN(C)C(C)CCC 2230a_100000207549_100000766640 [1,2,0,0,0,0|1,0,0]=4 30281 B10R0.19 CCCCN(C)C(C)CCC 269982a_100000207549_100000766640 [1,2,0,0,0,0|1,0,0]=4 30282 B10R0.19 CCCCN(C)C(C)CCC 270004a_100000207549_100000211909 [1,2,0,0,0,0|1,0,0]=4 30283 B10R0.19 CCCNC(C)C(C)CCC 270004a_100020643023_100011216282 [1,2,0,0,0,0|1,0,0]=4 30284 B10R0.19 CCCOC(C)C(C)CCC 34a_100000708338_100000210303 [1,2,0,0,0,0|0,0,0]=3 30285 B10R0.19 CCCOC(C)C(C)CCC 7a_100000708338_100000210303 [1,2,0,0,0,0|0,0,0]=3 30286 B10R0.24 C#CC(CCC)OCCCC 34a_200011217317_100000210210 [1,2,0,0,0,0|0,0,0]=3 30287 B10R0.24 C#CC(CCC)OCCCC 7a_200011217317_100000210211 [1,2,0,0,0,0|0,0,0]=3 30288 B10R0.24 C#CC(CCC)OCCCF 34a_200011217317_100011934791 [1,2,0,0,0,0|1,0,0]=4 30289 B10R0.24 C#CC(CCC)OCCCF 7a_200011217317_100011934791 [1,2,0,0,0,0|1,0,0]=4 30290 B10R0.24 C#CC(CCC)OCCCO 34a_200011217317_100000230001 [1,2,0,0,0,0|1,0,0]=4 30291 B10R0.24 C#CC(CCC)OCCCO 7a_200011217317_100011215043 [1,2,0,0,0,0|1,0,0]=4 30292 B10R0.24 C#CC(CCC)OCCOC 34a_200011217317_100011201679 [1,2,0,0,0,0|1,0,0]=4 30293 B10R0.24 C#CC(CCC)OCCOC 7a_200011217317_100000233755 [1,2,0,0,0,0|1,0,0]=4 30294 B10R0.24 C#CC(CCC)OCCSC 34a_200011217317_100000212216 [1,2,0,0,0,0|1,0,0]=4 30295 B10R0.24 C#CC(CCC)OCCSC 7a_200011217317_100000212216 [1,2,0,0,0,0|1,0,0]=4 30296 B10R0.24 C#CC(CCCCC)OCC 34a_100011216489_100000210202 [1,2,0,0,0,0|1,0,0]=4 30297 B10R0.24 C#CC(CCCCC)OCC 7a_100011216489_100000210202 [1,2,0,0,0,0|1,0,0]=4 30298 B10R0.24 C=CC(CCC)OCCCC 34a_100011216692_100000210210 [1,2,0,0,0,0|0,0,0]=3 30299 B10R0.24 C=CC(CCC)OCCCC 7a_100011216692_100000210211 [1,2,0,0,0,0|0,0,0]=3 30300 B10R0.24 C=CC(CCC)OCCCF 34a_100011216692_100011934791 [1,2,0,0,0,0|1,0,0]=4 30301 B10R0.24 C=CC(CCC)OCCCF 7a_100011216692_100011934791 [1,2,0,0,0,0|1,0,0]=4 30302 B10R0.24 C=CC(CCC)OCCCO 34a_100011216692_100000230001 [1,2,0,0,0,0|1,0,0]=4 30303 B10R0.24 C=CC(CCC)OCCCO 7a_100011216692_100011215043 [1,2,0,0,0,0|1,0,0]=4 30304 B10R0.24 C=CC(CCC)OCCOC 34a_100011216692_100011201679 [1,2,0,0,0,0|1,0,0]=4 30305 B10R0.24 C=CC(CCC)OCCOC 7a_100011216692_100000233755 [1,2,0,0,0,0|1,0,0]=4 30306 B10R0.24 C=CC(CCC)OCCSC 34a_100011216692_100000212216 [1,2,0,0,0,0|1,0,0]=4 30307 B10R0.24 C=CC(CCC)OCCSC 7a_100011216692_100000212216 [1,2,0,0,0,0|1,0,0]=4 30308 B10R0.24 C=CC(CCCCC)OCC 34a_100011216863_100000210202 [1,2,0,0,0,0|1,0,0]=4 30309 B10R0.24 C=CC(CCCCC)OCC 7a_100011216863_100000210202 [1,2,0,0,0,0|1,0,0]=4 30310 B10R0.24 CCCC(C#N)OCCCF 34a_100000686963_100011934791 [1,2,0,0,0,0|1,0,0]=4 30311 B10R0.24 CCCC(C#N)OCCCF 7a_100000686963_100011934791 [1,2,0,0,0,0|1,0,0]=4 30312 B10R0.24 CCCC(C#N)OCCCO 34a_100000686963_100000230001 [1,2,0,0,0,0|1,0,0]=4 30313 B10R0.24 CCCC(C#N)OCCCO 7a_100000686963_100011215043 [1,2,0,0,0,0|1,0,0]=4 30314 B10R0.24 CCCC(C#N)OCCOC 34a_100000686963_100011201679 [1,2,0,0,0,0|1,0,0]=4 30315 B10R0.24 CCCC(C#N)OCCOC 7a_100000686963_100000233755 [1,2,0,0,0,0|1,0,0]=4 30316 B10R0.24 CCCC(C#N)OCCSC 34a_100000686963_100000212216 [1,2,0,0,0,0|1,0,0]=4 30317 B10R0.24 CCCC(C#N)OCCSC 7a_100000686963_100000212216 [1,2,0,0,0,0|1,0,0]=4 30318 B10R0.24 CCCC(CC)OCCCF 34a_100000687864_100011934791 [1,2,0,0,0,0|1,0,0]=4 30319 B10R0.24 CCCC(CC)OCCCF 7a_100000687864_100011934791 [1,2,0,0,0,0|1,0,0]=4 30320 B10R0.24 CCCC(CC)OCCCO 34a_100000687864_100000230001 [1,2,0,0,0,0|1,0,0]=4 30321 B10R0.24 CCCC(CC)OCCCO 7a_100000687864_100011215043 [1,2,0,0,0,0|1,0,0]=4 30322 B10R0.24 CCCC(CC)OCCOC 34a_100000687864_100011201679 [1,2,0,0,0,0|1,0,0]=4 30323 B10R0.24 CCCC(CC)OCCOC 7a_100000687864_100000233755 [1,2,0,0,0,0|1,0,0]=4 30324 B10R0.24 CCCC(CC)OCCSC 34a_100000687864_100000212216 [1,2,0,0,0,0|1,0,0]=4 30325 B10R0.24 CCCC(CC)OCCSC 7a_100000230434_100011219200 [1,2,0,0,0,0|1,0,0]=4 30326 B10R0.24 CCCC(CC)OCCSC 7a_100000687864_100000212216 [1,2,0,0,0,0|1,0,0]=4 30327 B10R0.24 CCCC(CCOCC)SC 34a_100000032865_100000210202 [1,2,0,0,0,0|1,0,0]=4 30328 B10R0.24 CCCC(CCOCC)SC 7a_100000032865_100000210202 [1,2,0,0,0,0|1,0,0]=4 30329 B10R0.24 CCCCCC(CC)NCC 270004a_100015525214_100011215316 [1,2,0,0,0,0|1,0,0]=4 30330 B10R0.24 CCCCCC(CC)OCC 34a_100011215405_100000210202 [1,2,0,0,0,0|1,0,0]=4 30331 B10R0.24 CCCCCC(CC)OCC 7a_100011215405_100000210202 [1,2,0,0,0,0|1,0,0]=4 30332 B10R0.24 CCCCCC(CCC)NC 270004a_106832991635_200011216343 [1,2,0,0,0,0|0,0,0]=3 30333 B10R0.24 CCCCCC(CCC)OC 34a_200011215058_200000210301 [1,2,0,0,0,0|0,0,0]=3 30334 B10R0.24 CCCCCC(CCC)OC 7a_200011215058_200000210301 [1,2,0,0,0,0|0,0,0]=3 30335 B10R0.24 CCCCCC(CCC)O[13CH3] 34a_200011215058_200025704644 [1,2,0,0,0,0|0,0,0]=3 30336 B10R0.24 CCCCCC(CCC)O[13CH3] 7a_200011215058_200025704644 [1,2,0,0,0,0|0,0,0]=3 30337 B10R0.24 CCCCCN(CC)CCC 2230a_100000226822_100000210326 [1,2,0,0,0,0|1,0,0]=4 30338 B10R0.24 CCCCCN(CC)CCC 2230a_200000226819_100000210202 [1,2,0,0,0,0|1,0,0]=4 30339 B10R0.24 CCCCCN(CC)CCC 269982a_100000226822_100000210215 [1,2,0,0,0,0|1,0,0]=4 30340 B10R0.24 CCCCCN(CC)CCC 269982a_200000226819_100000204670 [1,2,0,0,0,0|1,0,0]=4 30341 B10R0.24 CCCCCN(CF)CCC 269982a_200000226819_100015361967 [1,2,0,0,0,0|1,0,0]=4 30342 B10R0.24 CCCCNC(CC)CCC 2230a_100000747048_100000210211 [1,2,0,0,0,0|1,0,0]=4 30343 B10R0.24 CCCCNC(CC)CCC 270004a_100000102301_100000687865 [1,2,0,0,0,0|1,0,0]=4 30344 B10R0.24 CCCCNC(CC)CCC 7a_106832991798_100011219200 [1,2,0,0,0,0|1,0,0]=4 30345 B10R0.24 CCCCN[C@H](CO)CCC 2230a_100000732646_100000210211 [1,2,0,0,0,0|1,0,0]=4 30346 B10R0.24 CCCCN[C@H](CO)CCC 34a_100000732646_100000210210 [1,2,0,0,0,0|1,0,0]=4 30347 B10R0.24 CCCCOC(C#N)CCC 34a_100000686963_100000210210 [1,2,0,0,0,0|0,0,0]=3 30348 B10R0.24 CCCCOC(C#N)CCC 7a_100000686963_100000210211 [1,2,0,0,0,0|0,0,0]=3 30349 B10R0.24 CCCCOC(CC)CCC 34a_100000687864_100000210210 [1,2,0,0,0,0|0,0,0]=3 30350 B10R0.24 CCCCOC(CC)CCC 7a_100000210227_100011219200 [1,2,0,0,0,0|0,0,0]=3 30351 B10R0.24 CCCCOC(CC)CCC 7a_100000687864_100000210211 [1,2,0,0,0,0|0,0,0]=3 30352 B10R0.24 CCCCOC(CC)COC 7a_200011214946_100000210211 [1,2,0,0,0,0|1,0,0]=4 30353 B10R0.24 CCCCOC(CCl)COC 34a_100011215053_100000210210 [1,2,0,0,0,0|1,0,0]=4 30354 B10R0.24 CCCCOC(CN)COC 34a_100000756049_100000210210 [1,2,0,0,0,0|1,0,0]=4 30355 B10R0.24 CCCCSC(CC)CCC 62a_100000210211_100011219200 [1,2,0,0,0,0|0,1,0]=4 30356 B10R0.24 CCCCSC(CC)CCC 62a_100011219200_100000210210 [1,2,0,0,0,0|0,1,0]=4 30357 B10R0.83 CCC(C)C(C)OCCCF 7a_100011215189_100011934791 [1,2,0,0,0,0|1,0,0]=4 30358 B10R0.83 CCC(C)C(C)OCCCO 7a_100011215189_100011215043 [1,2,0,0,0,0|1,0,0]=4 30359 B10R0.83 CCC(C)C(C)OCCOC 7a_100011215189_100000233755 [1,2,0,0,0,0|1,0,0]=4 30360 B10R0.83 CCC(C)C(C)OCCSC 7a_100011215189_100000212216 [1,2,0,0,0,0|1,0,0]=4 30361 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [1,2,0,0,0,0|0,0,1]=4 30362 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [1,2,0,0,0,0|0,0,1]=4 30363 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [1,2,0,0,0,0|0,0,1]=4 30364 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [1,2,0,0,0,0|0,0,1]=4 30365 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [1,2,0,0,0,0|0,0,1]=4 30366 B10R0.83 CCCCCC(C)N(C)CC 2230a_100000225621_200011218191 [1,2,0,0,0,0|1,0,0]=4 30367 B10R0.83 CCCCCC(C)N(C)CC 269982a_100000225621_200011218191 [1,2,0,0,0,0|1,0,0]=4 30368 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000223495_100000758301 [1,2,0,0,0,0|1,0,0]=4 30369 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000741768_100000210326 [1,2,0,0,0,0|1,0,0]=4 30370 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000223495_100000758301 [1,2,0,0,0,0|1,0,0]=4 30371 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000741768_100000210215 [1,2,0,0,0,0|1,0,0]=4 30372 B10R0.83 CCCCNC(C)C(C)CC 269862a_100000102301_100000210599 [1,2,0,0,0,0|1,0,0]=4 30373 B10R0.83 CCCCNC(C)C(C)CC 270004a_100000102301_100000210599 [1,2,0,0,0,0|1,0,0]=4 30374 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [1,2,0,0,0,0|0,0,1]=4 30375 B10R0.83 CCCCOC(C)C(C)CC 7a_100011215189_100000210211 [1,2,0,0,0,0|0,0,0]=3 30376 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [1,2,0,0,0,0|0,0,1]=4 30377 B10R0.83 CCCOCC(C)N(C)CC 7a_100000732741_100000210303 [1,2,0,0,0,0|1,0,0]=4 30378 B10R0.108 CCC(C)COC(C)CCBr 34a_100012276601_100000748023 [1,2,0,0,0,0|1,0,0]=4 30379 B10R0.108 CCC(C)CO[C@H](C)COC 34a_100011934205_100000748023 [1,2,0,0,0,0|1,0,0]=4 30380 B10R0.108 CCC(C)OCC(C)CCN 34a_106354213184_100011215416 [1,2,0,0,0,0|1,0,0]=4 30381 B10R0.108 CCC(C)OCC(N)COC 34a_100000724102_100011215416 [1,2,0,0,0,0|1,0,0]=4 30382 B10R0.108 CCC(C)OCC(O)COC 7a_100000210228_100011215053 [1,2,0,0,0,0|1,0,0]=4 30383 B10R0.108 CCC(O)COC(C)CCBr 34a_100012276601_100011218378 [1,2,0,0,0,0|1,0,0]=4 30384 B10R0.108 CCC(O)CO[C@H](C)COC 34a_100011934205_100011218378 [1,2,0,0,0,0|1,0,0]=4 30385 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [1,2,0,0,0,0|0,0,1]=4 30386 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [1,2,0,0,0,0|0,0,1]=4 30387 B10R0.108 CCCC(C)CCC(C)NC 270004a_106832991635_200011216527 [1,2,0,0,0,0|1,0,0]=4 30388 B10R0.108 CCCC(C)CNC(C)CC 2230a_100000209981_100011216630 [1,2,0,0,0,0|1,0,0]=4 30389 B10R0.108 CCCC(C)CNC(C)CC 270004a_100000209981_100000243154 [1,2,0,0,0,0|1,0,0]=4 30390 B10R0.108 CCCC(C)COC(C)CC 34a_100000688023_100011215416 [1,2,0,0,0,0|0,0,0]=3 30391 B10R0.108 CCCC(C)COC(C)CC 7a_100000210228_100011216630 [1,2,0,0,0,0|0,0,0]=3 30392 B10R0.108 CCCC(C)COC(C)CC 7a_100000688023_100000758301 [1,2,0,0,0,0|0,0,0]=3 30393 B10R0.108 CCCC(C)COC(C)CF 34a_100016041109_100011216630 [1,2,0,0,0,0|1,0,0]=4 30394 B10R0.108 CCCC(C)COC(C)CF 7a_100016041109_100011216630 [1,2,0,0,0,0|1,0,0]=4 30395 B10R0.108 CCCC(C)COC(C)CN 34a_100000210904_100011216630 [1,2,0,0,0,0|1,0,0]=4 30396 B10R0.108 CCCC(C)COC(C)CO 34a_100000688023_100012180447 [1,2,0,0,0,0|1,0,0]=4 30397 B10R0.108 CCCC(C)COC(C)CO 7a_100000688023_100012180447 [1,2,0,0,0,0|1,0,0]=4 30398 B10R0.108 CCCC(C)CSC(C)CC 62a_100000758301_100011216630 [1,2,0,0,0,0|0,1,0]=4 30399 B10R0.108 CCCC(C)CSC(C)CC 62a_100011216630_100000758301 [1,2,0,0,0,0|0,1,0]=4 30400 B10R0.108 CCCC(C)NCC(C)CC 2230a_100000741246_100000748023 [1,2,0,0,0,0|1,0,0]=4 30401 B10R0.108 CCCC(C)NCC(C)CC 2230a_100020588543_100000766640 [1,2,0,0,0,0|1,0,0]=4 30402 B10R0.108 CCCC(C)NCC(C)CC 270004a_100000741246_100000243153 [1,2,0,0,0,0|1,0,0]=4 30403 B10R0.108 CCCC(C)NCC(C)CC 270004a_100020588543_100000211909 [1,2,0,0,0,0|1,0,0]=4 30404 B10R0.108 CCCC(C)NCC(O)CC 2230a_100000741246_100011218378 [1,2,0,0,0,0|1,0,0]=4 30405 B10R0.108 CCCC(C)NCC(O)CC 2230a_100011218483_100000766640 [1,2,0,0,0,0|1,0,0]=4 30406 B10R0.108 CCCC(C)NCC(O)CC 270004a_100011218483_100000211909 [1,2,0,0,0,0|1,0,0]=4 30407 B10R0.108 CCCC(C)NC[C@@H](C)CC 2230a_100000741246_100009816398 [1,2,0,0,0,0|1,0,0]=4 30408 B10R0.108 CCCC(C)OCC(=O)CC 34a_100000725409_100000766640 [1,2,0,0,0,0|0,0,1]=4 30409 B10R0.108 CCCC(C)OCC(=O)CC 7a_100000764384_100000747405 [1,2,0,0,0,0|0,0,1]=4 30410 B10R0.108 CCCC(C)OCC(C)CC 34a_100000764384_100000748023 [1,2,0,0,0,0|0,0,0]=3 30411 B10R0.108 CCCC(C)OCC(C)CC 7a_100000764384_100000748023 [1,2,0,0,0,0|0,0,0]=3 30412 B10R0.108 CCCC(C)OCC(C)CN 34a_100000744482_100000766640 [1,2,0,0,0,0|1,0,0]=4 30413 B10R0.108 CCCC(C)OCC(C)OC 34a_100000690652_100000766640 [1,2,0,0,0,0|1,0,0]=4 30414 B10R0.108 CCCC(C)OCC(Cl)CCl 34a_100000033668_100000766640 [1,2,0,0,0,0|1,0,0]=4 30415 B10R0.108 CCCC(C)OCC(O)CC 34a_100000764384_100011218378 [1,2,0,0,0,0|0,0,0]=3 30416 B10R0.108 CCCC(C)OCC(O)CC 7a_100000764384_100011218378 [1,2,0,0,0,0|0,0,0]=3 30417 B10R0.108 CCCC(C)OCC(O)CO 34a_100000764384_100011219619 [1,2,0,0,0,0|1,0,0]=4 30418 B10R0.108 CCCC(C)OCC(O)CO 7a_100000764384_100011219619 [1,2,0,0,0,0|1,0,0]=4 30419 B10R0.108 CCCC(C)OC[C@@H](C)CC 34a_100000764384_100009816398 [1,2,0,0,0,0|0,0,0]=3 30420 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100000764384_100009816398 [1,2,0,0,0,0|0,0,0]=3 30421 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100009816381_100000766640 [1,2,0,0,0,0|0,0,0]=3 30422 B10R0.108 CCCC(C)OC[C@@H](C)CO 34a_100000764384_100000059175 [1,2,0,0,0,0|1,0,0]=4 30423 B10R0.108 CCCC(C)OC[C@@H](C)CO 7a_100000764384_100000059175 [1,2,0,0,0,0|1,0,0]=4 30424 B10R0.108 CCCC(C)OC[C@@H](O)CF 34a_100000764384_100015614560 [1,2,0,0,0,0|1,0,0]=4 30425 B10R0.108 CCCC(C)OC[C@@H](O)CF 7a_100000764384_100015614560 [1,2,0,0,0,0|1,0,0]=4 30426 B10R0.108 CCCC(C)OC[C@@H](O)CO 34a_100000764384_100009815848 [1,2,0,0,0,0|1,0,0]=4 30427 B10R0.108 CCCC(C)OC[C@@H](O)CO 7a_100000764384_100009815848 [1,2,0,0,0,0|1,0,0]=4 30428 B10R0.108 CCCC(C)OC[C@H](F)CN 34a_100015665980_100000766640 [1,2,0,0,0,0|1,0,0]=4 30429 B10R0.108 CCCC(C)SCC(C)CC 62a_100000748023_100000766640 [1,2,0,0,0,0|0,1,0]=4 30430 B10R0.108 CCCC(C)SCC(C)CC 62a_100000766640_100000748023 [1,2,0,0,0,0|0,1,0]=4 30431 B10R0.108 CCCC(C)SCC(O)CC 62a_100000766640_100011218378 [1,2,0,0,0,0|0,1,0]=4 30432 B10R0.108 CCCC(C)SCC(O)CC 62a_100011218378_100000766640 [1,2,0,0,0,0|0,1,0]=4 30433 B10R0.108 CCCC(C)SC[C@@H](C)CC 62a_100000766640_100009816398 [1,2,0,0,0,0|0,1,0]=4 30434 B10R0.108 CCCC(C)SC[C@@H](C)CC 62a_100009816398_100000766640 [1,2,0,0,0,0|0,1,0]=4 30435 B10R0.108 CCC[C@H](N)COC(C)CC 34a_100000732646_100011215416 [1,2,0,0,0,0|0,0,0]=3 30436 B10R0.108 CCC[C@H](N)COC(C)CO 34a_100000732646_100012180447 [1,2,0,0,0,0|1,0,0]=4 30437 B10R0.108 CCOC(C)CCC(C)CC 7a_200011216552_100000210202 [1,2,0,0,0,0|1,0,0]=4 30438 B10R0.108 CC[C@H](C)COC(C)CCBr 34a_100012276601_100009816398 [1,2,0,0,0,0|1,0,0]=4 30439 B10R0.108 CC[C@H](C)COC(C)CCO 7a_100009816381_100009893172 [1,2,0,0,0,0|1,0,0]=4 30440 B10R0.108 CC[C@H](C)COC(C)COC 7a_100009816381_100000765312 [1,2,0,0,0,0|1,0,0]=4 30441 B10R0.108 CC[C@H](C)CO[C@H](C)COC 34a_100011934205_100009816398 [1,2,0,0,0,0|1,0,0]=4 30442 B10R0.156 CCCC(C)(C)COCCF 7a_100011995695_100011217306 [1,2,0,0,0,0|1,0,0]=4 30443 B10R0.156 CCCC(C)(C)COCCO 7a_100011995695_100000211926 [1,2,0,0,0,0|1,0,0]=4 30444 B10R0.156 CCCC(C)(C)OCCCF 7a_100000748436_100011934791 [1,2,0,0,0,0|1,0,0]=4 30445 B10R0.156 CCCC(C)(C)OCCCO 7a_100000748436_100011215043 [1,2,0,0,0,0|1,0,0]=4 30446 B10R0.156 CCCC(C)(C)OCCOC 7a_100000748436_100000233755 [1,2,0,0,0,0|1,0,0]=4 30447 B10R0.156 CCCC(C)(C)OCCSC 7a_100000748436_100000212216 [1,2,0,0,0,0|1,0,0]=4 30448 B10R0.156 CCCCOC(C)(C)CCBr 7a_100000702414_100000210211 [1,2,0,0,0,0|1,0,0]=4 30449 B10R0.156 CCCCOC(C)(C)CCC 7a_100000748436_100000210211 [1,2,0,0,0,0|0,0,0]=3 30450 B10R0.156 CCCOCC(C)(C)CCC 7a_100011995695_100000210303 [1,2,0,0,0,0|0,0,0]=3 30451 B10R0.156 CCCOCC(C)(C)NCC 7a_100000747347_100000210303 [1,2,0,0,0,0|1,0,0]=4 30452 B10R0.16 C#CC(CCCC)OCCC 34a_200011217967_100000210303 [1,2,0,0,0,0|0,0,0]=3 30453 B10R0.16 C#CC(CCCC)OCCC 7a_200011217967_100000210303 [1,2,0,0,0,0|0,0,0]=3 30454 B10R0.16 C#CC(CCCC)OCCF 34a_200011217967_100011217306 [1,2,0,0,0,0|1,0,0]=4 30455 B10R0.16 C#CC(CCCC)OCCF 7a_200011217967_100011217306 [1,2,0,0,0,0|1,0,0]=4 30456 B10R0.16 C#CC(CCCC)OCCO 34a_200011217967_100000211926 [1,2,0,0,0,0|1,0,0]=4 30457 B10R0.16 C#CC(CCCC)OCCO 7a_200011217967_100000211926 [1,2,0,0,0,0|1,0,0]=4 30458 B10R0.16 C#CC(CCCC)OCSC 34a_200011217967_100011218213 [1,2,0,0,0,0|1,0,0]=4 30459 B10R0.16 C=CC(CCCC)OCCC 34a_200011215037_100000210303 [1,2,0,0,0,0|0,0,0]=3 30460 B10R0.16 C=CC(CCCC)OCCC 7a_200011215037_100000210303 [1,2,0,0,0,0|0,0,0]=3 30461 B10R0.16 C=CC(CCCC)OCCF 34a_200011215037_100011217306 [1,2,0,0,0,0|1,0,0]=4 30462 B10R0.16 C=CC(CCCC)OCCF 7a_200011215037_100011217306 [1,2,0,0,0,0|1,0,0]=4 30463 B10R0.16 C=CC(CCCC)OCCO 34a_200011215037_100000211926 [1,2,0,0,0,0|1,0,0]=4 30464 B10R0.16 C=CC(CCCC)OCCO 7a_200011215037_100000211926 [1,2,0,0,0,0|1,0,0]=4 30465 B10R0.16 C=CC(CCCC)OCSC 34a_200011215037_100011218213 [1,2,0,0,0,0|1,0,0]=4 30466 B10R0.16 CCCCC(CC)CNCC 2230a_100000209976_100000210202 [1,2,0,0,0,0|1,0,0]=4 30467 B10R0.16 CCCCC(CC)CNCC 2230a_100015525214_100000211942 [1,2,0,0,0,0|1,0,0]=4 30468 B10R0.16 CCCCC(CC)CNCC 269862a_100015525214_100011219736 [1,2,0,0,0,0|1,0,0]=4 30469 B10R0.16 CCCCC(CC)CNCC 270004a_100015525214_100011219736 [1,2,0,0,0,0|1,0,0]=4 30470 B10R0.16 CCCCC(CC)COCC 34a_100000210273_100000210202 [1,2,0,0,0,0|1,0,0]=4 30471 B10R0.16 CCCCC(CC)COCC 34a_100121572206_100000211942 [1,2,0,0,0,0|1,0,0]=4 30472 B10R0.16 CCCCC(CC)COCC 7a_100000210273_100000210202 [1,2,0,0,0,0|1,0,0]=4 30473 B10R0.16 CCCCC(CC)CSCC 62a_100000210202_100000211942 [1,2,0,0,0,0|1,0,0]=4 30474 B10R0.16 CCCCC(CC)CSCC 62a_100000211942_100000210202 [1,2,0,0,0,0|1,0,0]=4 30475 B10R0.16 CCCCC(CC)NCCC 270004a_100020643023_100000753412 [1,2,0,0,0,0|1,0,0]=4 30476 B10R0.16 CCCCC(CC)OCCBr 34a_100000211926_200011216223 [1,2,0,0,0,0|1,0,0]=4 30477 B10R0.16 CCCCC(CC)OCCC 34a_100000210258_200011216223 [1,2,0,0,0,0|0,0,0]=3 30478 B10R0.16 CCCCC(CC)OCCC 34a_100011215227_100000210303 [1,2,0,0,0,0|0,0,0]=3 30479 B10R0.16 CCCCC(CC)OCCC 7a_100011215227_100000210303 [1,2,0,0,0,0|0,0,0]=3 30480 B10R0.16 CCCCC(CC)OCCF 34a_100011215227_100011217306 [1,2,0,0,0,0|1,0,0]=4 30481 B10R0.16 CCCCC(CC)OCCF 7a_100011215227_100011217306 [1,2,0,0,0,0|1,0,0]=4 30482 B10R0.16 CCCCC(CC)OCCN 34a_100000210304_200011216223 [1,2,0,0,0,0|1,0,0]=4 30483 B10R0.16 CCCCC(CC)OCCO 34a_100011215227_100000211926 [1,2,0,0,0,0|1,0,0]=4 30484 B10R0.16 CCCCC(CC)OCCO 7a_100011215227_100000211926 [1,2,0,0,0,0|1,0,0]=4 30485 B10R0.16 CCCCC(CC)OCSC 34a_100011215227_100011218213 [1,2,0,0,0,0|1,0,0]=4 30486 B10R0.16 CCCCC(CC)SCCC 62a_100000210303_200011216223 [1,2,0,0,0,0|0,1,0]=4 30487 B10R0.16 CCCCC(CC)SCCC 62a_200011216223_100000210303 [1,2,0,0,0,0|0,1,0]=4 30488 B10R0.16 CCCCC(CCCC)NC 2230a_200011995792_200000210301 [1,2,0,0,0,0|0,0,0]=3 30489 B10R0.16 CCCCC(CCCC)NC 270004a_106832991635_100011218081 [1,2,0,0,0,0|0,0,0]=3 30490 B10R0.16 CCCCC(CCCC)NC 34a_200011995792_200000210301 [1,2,0,0,0,0|0,0,0]=3 30491 B10R0.16 CCCCC(CCCC)N[13CH3] 2230a_200011995792_200025704644 [1,2,0,0,0,0|0,0,0]=3 30492 B10R0.16 CCCCC(CCCC)N[13CH3] 34a_200011995792_200025704644 [1,2,0,0,0,0|0,0,0]=3 30493 B10R0.16 CCCCC(CCCC)OC 34a_200011215786_200000210301 [1,2,0,0,0,0|0,0,0]=3 30494 B10R0.16 CCCCC(CCCC)OC 7a_200011215786_200000210301 [1,2,0,0,0,0|0,0,0]=3 30495 B10R0.16 CCCCC(CCCC)O[13CH3] 34a_200011215786_200025704644 [1,2,0,0,0,0|0,0,0]=3 30496 B10R0.16 CCCCC(CCCC)O[13CH3] 7a_200011215786_200025704644 [1,2,0,0,0,0|0,0,0]=3 30497 B10R0.16 CCCCN(CC)CCCC 2230a_100000207695_100000210211 [1,2,0,0,0,0|1,0,0]=4 30498 B10R0.16 CCCCN(CC)CCCC 2230a_100000684618_100000210202 [1,2,0,0,0,0|1,0,0]=4 30499 B10R0.16 CCCCN(CC)CCCC 269982a_100000207695_100000210211 [1,2,0,0,0,0|1,0,0]=4 30500 B10R0.16 CCCCN(CC)CCCC 269982a_100000684618_100000204670 [1,2,0,0,0,0|1,0,0]=4 30501 B10R0.16 CCCCN(CF)CCCC 269982a_100000684618_100015361967 [1,2,0,0,0,0|1,0,0]=4 30502 B10R0.16 CCCC[C@@H](CO)NCCC 2230a_100011934283_100000210303 [1,2,0,0,0,0|1,0,0]=4 30503 B10R0.16 CCCC[C@@H](CO)NCCC 34a_100011934283_100000210303 [1,2,0,0,0,0|1,0,0]=4 30504 B10R0.16 CCCOC(CN)COCC 34a_102515437182_100000210303 [1,2,0,0,0,0|1,0,0]=4 30505 B10R0.18 CCC(C)OC(C)CCCCl 34a_200000718107_100011215416 [1,2,0,0,0,0|1,0,0]=4 30506 B10R0.18 CCC(C)OC(C)CCCCl 7a_200000718107_100000758301 [1,2,0,0,0,0|1,0,0]=4 30507 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [1,2,0,0,0,0|0,0,1]=4 30508 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [1,2,0,0,0,0|0,0,1]=4 30509 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [1,2,0,0,0,0|0,0,1]=4 30510 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [1,2,0,0,0,0|0,0,1]=4 30511 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [1,2,0,0,0,0|0,0,1]=4 30512 B10R0.18 CCCCC(C)NC(C)CC 2230a_100000126638_100000758301 [1,2,0,0,0,0|1,0,0]=4 30513 B10R0.18 CCCCC(C)NC(C)CC 2230a_100000209981_200011215066 [1,2,0,0,0,0|1,0,0]=4 30514 B10R0.18 CCCCC(C)NC(C)CC 270004a_100000209981_100000210087 [1,2,0,0,0,0|1,0,0]=4 30515 B10R0.18 CCCCC(C)OC(C)CC 34a_100000687866_100011215416 [1,2,0,0,0,0|0,0,0]=3 30516 B10R0.18 CCCCC(C)OC(C)CC 7a_100000210228_200011215066 [1,2,0,0,0,0|0,0,0]=3 30517 B10R0.18 CCCCC(C)OC(C)CC 7a_100000687866_100000758301 [1,2,0,0,0,0|0,0,0]=3 30518 B10R0.18 CCCCC(C)OC(C)CF 34a_100016041109_200011215066 [1,2,0,0,0,0|1,0,0]=4 30519 B10R0.18 CCCCC(C)OC(C)CF 7a_100016041109_200011215066 [1,2,0,0,0,0|1,0,0]=4 30520 B10R0.18 CCCCC(C)OC(C)CN 34a_100000210904_200011215066 [1,2,0,0,0,0|1,0,0]=4 30521 B10R0.18 CCCCC(C)OC(C)CO 34a_100000687866_100012180447 [1,2,0,0,0,0|1,0,0]=4 30522 B10R0.18 CCCCC(C)OC(C)CO 7a_100000687866_100012180447 [1,2,0,0,0,0|1,0,0]=4 30523 B10R0.18 CCCCC(C)SC(C)CC 62a_100000758301_200011215066 [1,2,0,0,0,0|0,1,0]=4 30524 B10R0.18 CCCCC(C)SC(C)CC 62a_200011215066_100000758301 [1,2,0,0,0,0|0,1,0]=4 30525 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000207549_100000748023 [1,2,0,0,0,0|1,0,0]=4 30526 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000753921_100000210211 [1,2,0,0,0,0|1,0,0]=4 30527 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000207549_100000748023 [1,2,0,0,0,0|1,0,0]=4 30528 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000753921_100000210211 [1,2,0,0,0,0|1,0,0]=4 30529 B10R0.18 CCCCN(C)CC(C)CC 270004a_100000207549_100000243153 [1,2,0,0,0,0|1,0,0]=4 30530 B10R0.18 CCCCN(C)CC(O)CC 2230a_100000207549_100011218378 [1,2,0,0,0,0|1,0,0]=4 30531 B10R0.18 CCCCN(C)CC(O)CC 269982a_100000207549_100011218378 [1,2,0,0,0,0|1,0,0]=4 30532 B10R0.18 CCCCN(C)C[C@@H](C)CC 2230a_100000207549_100009816398 [1,2,0,0,0,0|1,0,0]=4 30533 B10R0.18 CCCCN(C)C[C@@H](C)CC 269982a_100000207549_100009816398 [1,2,0,0,0,0|1,0,0]=4 30534 B10R0.18 CCCNC(C)CC(C)CC 2230a_100000763565_100000210303 [1,2,0,0,0,0|1,0,0]=4 30535 B10R0.18 CCCNC(C)CC(C)CC 270004a_100020643023_100011710205 [1,2,0,0,0,0|1,0,0]=4 30536 B10R0.18 CCOCC(C)OC(C)CC 34a_100000718985_100011215416 [1,2,0,0,0,0|1,0,0]=4 30537 B10R0.18 CCOCC(C)OC(C)CC 7a_100000718985_100000758301 [1,2,0,0,0,0|1,0,0]=4 30538 B10R0.116 CCCCC(C)(C)COCC 7a_200011995781_100000210202 [1,2,0,0,0,0|1,0,0]=4 30539 B10R0.116 CCCCC(C)(C)OCCC 7a_100011219641_100000210303 [1,2,0,0,0,0|0,0,0]=3 30540 B10R0.116 CCCCC(C)(C)OCCF 7a_100011219641_100011217306 [1,2,0,0,0,0|1,0,0]=4 30541 B10R0.116 CCCCC(C)(C)OCCO 7a_100011219641_100000211926 [1,2,0,0,0,0|1,0,0]=4 30542 B10R0.116 CCCOC(C)(C)CCCBr 7a_100009888830_100000210303 [1,2,0,0,0,0|1,0,0]=4 30543 B10R0.41 C#CC(CC)OCCCCC 34a_100000758843_100000718602 [1,2,0,0,0,0|0,0,0]=3 30544 B10R0.41 C#CC(CC)OCCCCC 7a_100000758843_100000210326 [1,2,0,0,0,0|0,0,0]=3 30545 B10R0.41 C#CC(CC)OCCCCF 34a_100000758843_100000729493 [1,2,0,0,0,0|1,0,0]=4 30546 B10R0.41 C#CC(CC)OCCCCF 7a_100000758843_100000729493 [1,2,0,0,0,0|1,0,0]=4 30547 B10R0.41 C#CC(CC)OCCCCO 34a_100000758843_100011216708 [1,2,0,0,0,0|1,0,0]=4 30548 B10R0.41 C#CC(CC)OCCCCO 7a_100000758843_100000210776 [1,2,0,0,0,0|1,0,0]=4 30549 B10R0.41 C#CC(CC)OCCCOC 34a_100000758843_100000740836 [1,2,0,0,0,0|1,0,0]=4 30550 B10R0.41 C#CC(CC)OCCCOC 7a_100000758843_100000740836 [1,2,0,0,0,0|1,0,0]=4 30551 B10R0.41 C#CC(CC)OCCOCC 34a_100000758843_100000210147 [1,2,0,0,0,0|1,0,0]=4 30552 B10R0.41 C#CC(CC)OCCOCC 7a_100000758843_100011215890 [1,2,0,0,0,0|1,0,0]=4 30553 B10R0.41 C#CC(CC)OCCSCC 34a_100000758843_100000757381 [1,2,0,0,0,0|1,0,0]=4 30554 B10R0.41 C#CC(CC)OCCSCC 7a_100000758843_100000757381 [1,2,0,0,0,0|1,0,0]=4 30555 B10R0.41 C=CC(CC)OCCCCC 34a_100000766422_100000718602 [1,2,0,0,0,0|0,0,0]=3 30556 B10R0.41 C=CC(CC)OCCCCC 7a_100000766422_100000210326 [1,2,0,0,0,0|0,0,0]=3 30557 B10R0.41 C=CC(CC)OCCCCF 34a_100000766422_100000729493 [1,2,0,0,0,0|1,0,0]=4 30558 B10R0.41 C=CC(CC)OCCCCF 7a_100000766422_100000729493 [1,2,0,0,0,0|1,0,0]=4 30559 B10R0.41 C=CC(CC)OCCCCO 34a_100000766422_100011216708 [1,2,0,0,0,0|1,0,0]=4 30560 B10R0.41 C=CC(CC)OCCCCO 7a_100000766422_100000210776 [1,2,0,0,0,0|1,0,0]=4 30561 B10R0.41 C=CC(CC)OCCCOC 34a_100000766422_100000740836 [1,2,0,0,0,0|1,0,0]=4 30562 B10R0.41 C=CC(CC)OCCCOC 7a_100000766422_100000740836 [1,2,0,0,0,0|1,0,0]=4 30563 B10R0.41 C=CC(CC)OCCOCC 34a_100000766422_100000210147 [1,2,0,0,0,0|1,0,0]=4 30564 B10R0.41 C=CC(CC)OCCOCC 7a_100000766422_100011215890 [1,2,0,0,0,0|1,0,0]=4 30565 B10R0.41 C=CC(CC)OCCSCC 34a_100000766422_100000757381 [1,2,0,0,0,0|1,0,0]=4 30566 B10R0.41 C=CC(CC)OCCSCC 7a_100000766422_100000757381 [1,2,0,0,0,0|1,0,0]=4 30567 B10R0.41 C=CC(CCCCCC)OC 34a_200011215977_200000210301 [1,2,0,0,0,0|1,0,0]=4 30568 B10R0.41 C=CC(CCCCCC)OC 7a_200011215977_200000210301 [1,2,0,0,0,0|1,0,0]=4 30569 B10R0.41 C=CC(CCCCCC)O[13CH3] 34a_200011215977_200025704644 [1,2,0,0,0,0|1,0,0]=4 30570 B10R0.41 C=CC(CCCCCC)O[13CH3] 7a_200011215977_200025704644 [1,2,0,0,0,0|1,0,0]=4 30571 B10R0.41 CCC(CC)COCCCBr 34a_100011217188_100011215472 [1,2,0,0,0,0|1,0,0]=4 30572 B10R0.41 CCC(CC)COCCCCl 34a_100000230001_100011215472 [1,2,0,0,0,0|1,0,0]=4 30573 B10R0.41 CCC(CC)COCCCF 34a_100000759539_100011215472 [1,2,0,0,0,0|1,0,0]=4 30574 B10R0.41 CCC(CC)COCCCF 7a_100000703878_100011934791 [1,2,0,0,0,0|1,0,0]=4 30575 B10R0.41 CCC(CC)COCCCN 34a_100000182051_100011215472 [1,2,0,0,0,0|1,0,0]=4 30576 B10R0.41 CCC(CC)COCCCO 7a_100000703878_100011215043 [1,2,0,0,0,0|1,0,0]=4 30577 B10R0.41 CCC(CC)COCCOC 34a_100000210237_100011215472 [1,2,0,0,0,0|1,0,0]=4 30578 B10R0.41 CCC(CC)COCCOC 7a_100000703878_100000233755 [1,2,0,0,0,0|1,0,0]=4 30579 B10R0.41 CCC(CC)COCCSC 34a_100000230434_100011215472 [1,2,0,0,0,0|1,0,0]=4 30580 B10R0.41 CCC(CC)COCCSC 7a_100000230434_100011215472 [1,2,0,0,0,0|1,0,0]=4 30581 B10R0.41 CCC(CC)COCCSC 7a_100000703878_100000212216 [1,2,0,0,0,0|1,0,0]=4 30582 B10R0.41 CCC(CC)OCCCCCl 7a_100000210776_100000210505 [1,2,0,0,0,0|1,0,0]=4 30583 B10R0.41 CCC(CC)OCCCCF 7a_100000688536_100000729493 [1,2,0,0,0,0|1,0,0]=4 30584 B10R0.41 CCC(CC)OCCCCF 7a_100011995726_100000210505 [1,2,0,0,0,0|1,0,0]=4 30585 B10R0.41 CCC(CC)OCCCCO 7a_100000688536_100000210776 [1,2,0,0,0,0|1,0,0]=4 30586 B10R0.41 CCC(CC)OCCCOC 7a_100000688536_100000740836 [1,2,0,0,0,0|1,0,0]=4 30587 B10R0.41 CCC(CC)OCCCSC 7a_100000690336_100000210505 [1,2,0,0,0,0|1,0,0]=4 30588 B10R0.41 CCC(COCCCF)OC 34a_100011934954_100011934791 [1,2,0,0,0,0|1,0,0]=4 30589 B10R0.41 CCC(COCCCF)OC 7a_100011934954_100011934791 [1,2,0,0,0,0|1,0,0]=4 30590 B10R0.41 CCC(COCCCO)OC 34a_100011934954_100000230001 [1,2,0,0,0,0|1,0,0]=4 30591 B10R0.41 CCC(COCCCO)OC 7a_100011934954_100011215043 [1,2,0,0,0,0|1,0,0]=4 30592 B10R0.41 CCC(COCCOC)OC 34a_100011934954_100011201679 [1,2,0,0,0,0|1,0,0]=4 30593 B10R0.41 CCC(COCCOC)OC 7a_100011934954_100000233755 [1,2,0,0,0,0|1,0,0]=4 30594 B10R0.41 CCC(COCCSC)OC 34a_100011934954_100000212216 [1,2,0,0,0,0|1,0,0]=4 30595 B10R0.41 CCC(COCCSC)OC 7a_100011934954_100000212216 [1,2,0,0,0,0|1,0,0]=4 30596 B10R0.41 CCCCCCC(CC)NC 270004a_106832991635_100011219640 [1,2,0,0,0,0|0,0,0]=3 30597 B10R0.41 CCCCCCC(CC)OC 34a_100011215785_200000210301 [1,2,0,0,0,0|0,0,0]=3 30598 B10R0.41 CCCCCCC(CC)OC 7a_100011215785_200000210301 [1,2,0,0,0,0|0,0,0]=3 30599 B10R0.41 CCCCCCC(CC)O[13CH3] 34a_100011215785_200025704644 [1,2,0,0,0,0|0,0,0]=3 30600 B10R0.41 CCCCCCC(CC)O[13CH3] 7a_100011215785_200025704644 [1,2,0,0,0,0|0,0,0]=3 30601 B10R0.41 CCCCCCN(CC)CC 2230a_100000724800_100000210314 [1,2,0,0,0,0|1,0,0]=4 30602 B10R0.41 CCCCCCN(CC)CC 269956a_100000042499_100000210757 [1,2,0,0,0,0|1,0,0]=4 30603 B10R0.41 CCCCCCN(CC)CC 269982a_100000724800_100000210757 [1,2,0,0,0,0|1,0,0]=4 30604 B10R0.41 CCCCCNC(CC)CC 2230a_100000199018_100000210326 [1,2,0,0,0,0|1,0,0]=4 30605 B10R0.41 CCCCCNC(CC)CC 270004a_100000209983_100000210860 [1,2,0,0,0,0|1,0,0]=4 30606 B10R0.41 CCCCCN[C@@H](CC)CO 2230a_100000709445_100000210326 [1,2,0,0,0,0|1,0,0]=4 30607 B10R0.41 CCCCCOC(CC)CC 7a_100000210253_100000210505 [1,2,0,0,0,0|0,0,0]=3 30608 B10R0.41 CCCCCOC(CC)CC 7a_100000688536_100000210326 [1,2,0,0,0,0|0,0,0]=3 30609 B10R0.41 CCCCCOC(CCl)CCl 7a_100000737055_100000210326 [1,2,0,0,0,0|1,0,0]=4 30610 B10R0.41 CCCCCOC(CF)CF 34a_100000032261_100000718602 [1,2,0,0,0,0|1,0,0]=4 30611 B10R0.41 CCCCCOC(CF)CF 7a_100000032261_100000210326 [1,2,0,0,0,0|1,0,0]=4 30612 B10R0.41 CCCCCOC(CN)CN 34a_100000031598_100000718602 [1,2,0,0,0,0|1,0,0]=4 30613 B10R0.41 CCCCCO[C@@H](CF)CCl 34a_100015614560_100000718602 [1,2,0,0,0,0|1,0,0]=4 30614 B10R0.41 CCCCCO[C@@H](CF)CCl 7a_100015614560_100000210326 [1,2,0,0,0,0|1,0,0]=4 30615 B10R0.41 CCCCCSC(CC)CC 62a_100000210326_100000210505 [1,2,0,0,0,0|0,1,0]=4 30616 B10R0.41 CCCCCSC(CC)CC 62a_100000210505_100000210326 [1,2,0,0,0,0|0,1,0]=4 30617 B10R0.41 CCCCNCC(CC)CC 2230a_100000102301_100011215472 [1,2,0,0,0,0|1,0,0]=4 30618 B10R0.41 CCCCNCC(CC)CC 2230a_100102946423_100000210211 [1,2,0,0,0,0|1,0,0]=4 30619 B10R0.41 CCCCNCC(CC)CC 269862a_100000102301_100000211137 [1,2,0,0,0,0|1,0,0]=4 30620 B10R0.41 CCCCNCC(CC)CC 270004a_100000102301_100000211137 [1,2,0,0,0,0|1,0,0]=4 30621 B10R0.41 CCCCNCC(CC)CC 7a_106832991798_100011215472 [1,2,0,0,0,0|1,0,0]=4 30622 B10R0.41 CCCCOCC(CC)CC 34a_100000210227_100011215472 [1,2,0,0,0,0|0,0,0]=3 30623 B10R0.41 CCCCOCC(CC)CC 7a_100000210227_100011215472 [1,2,0,0,0,0|0,0,0]=3 30624 B10R0.41 CCCCOCC(CC)CC 7a_100000703878_100000210211 [1,2,0,0,0,0|0,0,0]=3 30625 B10R0.41 CCCCOCC(CC)OC 34a_100011934954_100000210210 [1,2,0,0,0,0|0,0,0]=3 30626 B10R0.41 CCCCOCC(CC)OC 7a_100011934954_100000210211 [1,2,0,0,0,0|0,0,0]=3 30627 B10R0.41 CCCCOCC(OC)OC 34a_100000210227_100000211822 [1,2,0,0,0,0|1,0,0]=4 30628 B10R0.41 CCCCOCC(OC)OC 34a_100011216393_100000210210 [1,2,0,0,0,0|1,0,0]=4 30629 B10R0.41 CCCCOCC(OC)OC 7a_100000210227_100000751394 [1,2,0,0,0,0|1,0,0]=4 30630 B10R0.41 CCCCOCN(CC)CC 2230a_100000724800_100011995733 [1,2,0,0,0,0|1,0,0]=4 30631 B10R0.41 CCCCOCN(CC)CC 269956a_100000042499_100011995733 [1,2,0,0,0,0|1,0,0]=4 30632 B10R0.41 CCCCOCN(CC)CC 269982a_100000724800_100011995733 [1,2,0,0,0,0|1,0,0]=4 30633 B10R0.41 CCCCOCN(CC)CC 7a_200015374951_100000210211 [1,2,0,0,0,0|1,0,0]=4 30634 B10R0.41 CCCCSCC(CC)CC 62a_100000210211_100011215472 [1,2,0,0,0,0|0,1,0]=4 30635 B10R0.41 CCCCSCC(CC)CC 62a_100011215472_100000210210 [1,2,0,0,0,0|0,1,0]=4 30636 B10R0.41 CCCOCCC(OC)OC 34a_100000210258_100000139399 [1,2,0,0,0,0|1,0,0]=4 30637 B10R0.41 CCCOCCN(CC)CC 2230a_100000724800_100011215938 [1,2,0,0,0,0|1,0,0]=4 30638 B10R0.41 CCCOCCN(CC)CC 269956a_100000042499_100011215938 [1,2,0,0,0,0|1,0,0]=4 30639 B10R0.41 CCCOCCN(CC)CC 269982a_100000724800_100011215938 [1,2,0,0,0,0|1,0,0]=4 30640 B10R0.41 CCCOCCN(CC)CC 7a_100016990331_100000210303 [1,2,0,0,0,0|1,0,0]=4 30641 B10R0.41 CCOCCOC(CC)CC 7a_100000210136_100000210505 [1,2,0,0,0,0|1,0,0]=4 30642 B10R0.41 CCOCCOC(CC)CC 7a_100000688536_100011215890 [1,2,0,0,0,0|1,0,0]=4 30643 B10R0.41 CCSCCOC(CC)CC 7a_100000212035_100000210505 [1,2,0,0,0,0|1,0,0]=4 30644 B10R0.41 CCSCCOC(CC)CC 7a_100000688536_100000757381 [1,2,0,0,0,0|1,0,0]=4 30645 B10R0.59 CCC(=O)COCC(C)CC 34a_100000725409_100000748023 [1,2,0,0,0,0|0,0,1]=4 30646 B10R0.59 CCC(=O)COCC(O)CC 34a_100000725409_100011218378 [1,2,0,0,0,0|0,0,1]=4 30647 B10R0.59 CCC(=O)COC[C@@H](C)CC 34a_100000725409_100009816398 [1,2,0,0,0,0|0,0,1]=4 30648 B10R0.59 CCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747405 [1,2,0,0,0,0|0,0,1]=4 30649 B10R0.59 CCC(C)CCNC(C)CC 2230a_100020591266_100000758301 [1,2,0,0,0,0|1,0,0]=4 30650 B10R0.59 CCC(C)CCOC(C)CC 7a_100011215188_100000758301 [1,2,0,0,0,0|0,0,0]=3 30651 B10R0.59 CCC(C)CCOC(C)CO 7a_100011215188_100012180447 [1,2,0,0,0,0|1,0,0]=4 30652 B10R0.59 CCC(C)CNCC(C)CC 2230a_100020588543_100000748023 [1,2,0,0,0,0|1,0,0]=4 30653 B10R0.59 CCC(C)CNCC(C)CC 270004a_100020588543_100000243153 [1,2,0,0,0,0|1,0,0]=4 30654 B10R0.59 CCC(C)CNCC(O)CC 2230a_100011218483_100000748023 [1,2,0,0,0,0|1,0,0]=4 30655 B10R0.59 CCC(C)CNCC(O)CC 2230a_100020588543_100011218378 [1,2,0,0,0,0|1,0,0]=4 30656 B10R0.59 CCC(C)CNCC(O)CC 270004a_100011218483_100000243153 [1,2,0,0,0,0|1,0,0]=4 30657 B10R0.59 CCC(C)CNC[C@@H](C)CC 2230a_100020588543_100009816398 [1,2,0,0,0,0|1,0,0]=4 30658 B10R0.59 CCC(C)COCC(C)CN 34a_100000744482_100000748023 [1,2,0,0,0,0|1,0,0]=4 30659 B10R0.59 CCC(C)COCC(C)OC 34a_100000690652_100000748023 [1,2,0,0,0,0|1,0,0]=4 30660 B10R0.59 CCC(C)COCC(Cl)CCl 34a_100000033668_100000748023 [1,2,0,0,0,0|1,0,0]=4 30661 B10R0.59 CCC(C)COC[C@@H](C)CC 7a_100009816381_100000748023 [1,2,0,0,0,0|0,0,0]=3 30662 B10R0.59 CCC(C)COC[C@H](F)CN 34a_100015665980_100000748023 [1,2,0,0,0,0|1,0,0]=4 30663 B10R0.59 CCC(C)CSCC(C)CC 62a_100000748023_100000748023 [1,2,0,0,0,0|0,1,0]=4 30664 B10R0.59 CCC(C)CSCC(O)CC 62a_100000748023_100011218378 [1,2,0,0,0,0|0,1,0]=4 30665 B10R0.59 CCC(C)CSCC(O)CC 62a_100011218378_100000748023 [1,2,0,0,0,0|0,1,0]=4 30666 B10R0.59 CCC(C)CSC[C@@H](C)CC 62a_100000748023_100009816398 [1,2,0,0,0,0|0,1,0]=4 30667 B10R0.59 CCC(C)CSC[C@@H](C)CC 62a_100009816398_100000748023 [1,2,0,0,0,0|0,1,0]=4 30668 B10R0.59 CCC(C)OCCC(C)OC 7a_100000764861_100000758301 [1,2,0,0,0,0|1,0,0]=4 30669 B10R0.59 CCC(O)CNCC(O)CC 2230a_100011218483_100011218378 [1,2,0,0,0,0|1,0,0]=4 30670 B10R0.59 CCC(O)CNC[C@@H](C)CC 2230a_100011218483_100009816398 [1,2,0,0,0,0|1,0,0]=4 30671 B10R0.59 CCC(O)COCC(C)CN 34a_100000744482_100011218378 [1,2,0,0,0,0|1,0,0]=4 30672 B10R0.59 CCC(O)COCC(C)OC 34a_100000690652_100011218378 [1,2,0,0,0,0|1,0,0]=4 30673 B10R0.59 CCC(O)COCC(Cl)CCl 34a_100000033668_100011218378 [1,2,0,0,0,0|1,0,0]=4 30674 B10R0.59 CCC(O)COC[C@@H](C)CC 7a_100009816381_100011218378 [1,2,0,0,0,0|0,0,0]=3 30675 B10R0.59 CCC(O)COC[C@H](F)CN 34a_100015665980_100011218378 [1,2,0,0,0,0|1,0,0]=4 30676 B10R0.59 CCC(O)CSCC(O)CC 62a_100011218378_100011218378 [1,2,0,0,0,0|0,1,0]=4 30677 B10R0.59 CCC(O)CSC[C@@H](C)CC 62a_100009816398_100011218378 [1,2,0,0,0,0|0,1,0]=4 30678 B10R0.59 CCC(O)CSC[C@@H](C)CC 62a_100011218378_100009816398 [1,2,0,0,0,0|0,1,0]=4 30679 B10R0.59 CC[C@H](C)COCC(C)CN 34a_100000744482_100009816398 [1,2,0,0,0,0|1,0,0]=4 30680 B10R0.59 CC[C@H](C)COCC(C)OC 34a_100000690652_100009816398 [1,2,0,0,0,0|1,0,0]=4 30681 B10R0.59 CC[C@H](C)COCC(Cl)CCl 34a_100000033668_100009816398 [1,2,0,0,0,0|1,0,0]=4 30682 B10R0.59 CC[C@H](C)COCC(O)CO 7a_100009816381_100011219619 [1,2,0,0,0,0|1,0,0]=4 30683 B10R0.59 CC[C@H](C)COC[C@@H](C)CC 7a_100009816381_100009816398 [1,2,0,0,0,0|0,0,0]=3 30684 B10R0.59 CC[C@H](C)COC[C@@H](C)CO 7a_100009816381_100000059175 [1,2,0,0,0,0|1,0,0]=4 30685 B10R0.59 CC[C@H](C)COC[C@@H](O)CF 7a_100009816381_100015614560 [1,2,0,0,0,0|1,0,0]=4 30686 B10R0.59 CC[C@H](C)COC[C@@H](O)CO 7a_100009816381_100009815848 [1,2,0,0,0,0|1,0,0]=4 30687 B10R0.59 CC[C@H](C)COC[C@H](F)CN 34a_100015665980_100009816398 [1,2,0,0,0,0|1,0,0]=4 30688 B10R0.59 CC[C@H](C)CSC[C@@H](C)CC 62a_100009816398_100009816398 [1,2,0,0,0,0|0,1,0]=4 30689 B10R0.62 CCC(C)(C)COCCCF 7a_100000765029_100011934791 [1,2,0,0,0,0|1,0,0]=4 30690 B10R0.62 CCC(C)(C)COCCCO 7a_100000765029_100011215043 [1,2,0,0,0,0|1,0,0]=4 30691 B10R0.62 CCC(C)(C)COCCOC 7a_100000765029_100000233755 [1,2,0,0,0,0|1,0,0]=4 30692 B10R0.62 CCC(C)(C)COCCSC 7a_100000765029_100000212216 [1,2,0,0,0,0|1,0,0]=4 30693 B10R0.62 CCC(C)(C)OCCCCCl 7a_100000210776_100000210677 [1,2,0,0,0,0|1,0,0]=4 30694 B10R0.62 CCC(C)(C)OCCCCF 7a_100000210230_100000729493 [1,2,0,0,0,0|1,0,0]=4 30695 B10R0.62 CCC(C)(C)OCCCCF 7a_100011995726_100000210677 [1,2,0,0,0,0|1,0,0]=4 30696 B10R0.62 CCC(C)(C)OCCCCO 7a_100000210230_100000210776 [1,2,0,0,0,0|1,0,0]=4 30697 B10R0.62 CCC(C)(C)OCCCOC 7a_100000210230_100000740836 [1,2,0,0,0,0|1,0,0]=4 30698 B10R0.62 CCC(C)(C)OCCCSC 7a_100000690336_100000210677 [1,2,0,0,0,0|1,0,0]=4 30699 B10R0.62 CCCCCCC(C)(C)OC 7a_200011995690_200000210301 [1,2,0,0,0,0|1,0,0]=4 30700 B10R0.62 CCCCCCC(C)(C)O[13CH3] 7a_200011995690_200025704644 [1,2,0,0,0,0|1,0,0]=4 30701 B10R0.62 CCCCCNC(C)(C)CC 2230a_100000211385_100000210326 [1,2,0,0,0,0|1,0,0]=4 30702 B10R0.62 CCCCCOC(C)(C)CC 7a_100000210230_100000210326 [1,2,0,0,0,0|0,0,0]=3 30703 B10R0.62 CCCCCOC(C)(C)CC 7a_100000210253_100000210677 [1,2,0,0,0,0|0,0,0]=3 30704 B10R0.62 CCCCCOC(C)(C)CCl 7a_100000764493_100000210326 [1,2,0,0,0,0|1,0,0]=4 30705 B10R0.62 CCCCCSC(C)(C)CC 62a_100000032637_100000210326 [1,2,0,0,0,0|0,1,0]=4 30706 B10R0.62 CCCCCSC(C)(C)CC 62a_100000210326_100000032637 [1,2,0,0,0,0|0,1,0]=4 30707 B10R0.62 CCCCOCC(C)(C)CC 7a_100000765029_100000210211 [1,2,0,0,0,0|0,0,0]=3 30708 B10R0.62 CCCCOCC(C)(C)CCl 7a_100011217199_100000210211 [1,2,0,0,0,0|1,0,0]=4 30709 B10R0.62 CCCCOCC(C)(C)CO 34a_100000210227_100009813988 [1,2,0,0,0,0|1,0,0]=4 30710 B10R0.62 CCCCOCC(C)(C)CO 7a_100000210227_100009813988 [1,2,0,0,0,0|1,0,0]=4 30711 B10R0.62 CCCCOCC(C)(C)OC 34a_100000210227_100000701081 [1,2,0,0,0,0|1,0,0]=4 30712 B10R0.62 CCCCOCC(F)(F)CN 34a_100000703232_100000210210 [1,2,0,0,0,0|1,0,0]=4 30713 B10R0.62 CCCOCCC(C)(C)OC 7a_100000699976_100000210303 [1,2,0,0,0,0|1,0,0]=4 30714 B10R0.62 CCCOCCS(=O)(=O)CC 34a_100000210258_100000756660 [1,2,0,0,0,0|1,0,0]=4 30715 B10R0.62 CCCOCCS(=O)(=O)CC 34a_200011216379_100000210303 [1,2,0,0,0,0|1,0,0]=4 30716 B10R0.62 CCCOCCS(=O)(=O)CC 7a_200011216379_100000210303 [1,2,0,0,0,0|1,0,0]=4 30717 B10R0.62 CCOCCOC(C)(C)CC 7a_100000210136_100000210677 [1,2,0,0,0,0|1,0,0]=4 30718 B10R0.62 CCOCCOC(C)(C)CC 7a_100000210230_100011215890 [1,2,0,0,0,0|1,0,0]=4 30719 B10R0.62 CCSCCOC(C)(C)CC 7a_100000210230_100000757381 [1,2,0,0,0,0|1,0,0]=4 30720 B10R0.62 CCSCCOC(C)(C)CC 7a_100000212035_100000210677 [1,2,0,0,0,0|1,0,0]=4 30721 B12R0.2 CC(C)CC(C)OC(C)CCCCl 34a_200000718107_100000731052 [0,3,0,0,0,0|1,0,0]=4 30722 B12R0.2 CC(C)CC(C)OC(C)CCCCl 7a_200000718107_100000731052 [0,3,0,0,0,0|1,0,0]=4 30723 B12R0.2 CCCCC(C)NC(C)CC(C)C 2230a_100000126638_100000731052 [0,3,0,0,0,0|1,0,0]=4 30724 B12R0.2 CCCCC(C)NC(C)CC(C)C 2230a_100000692259_200011215066 [0,3,0,0,0,0|1,0,0]=4 30725 B12R0.2 CCCCC(C)NC(C)CC(C)C 270004a_100000692259_100000210087 [0,3,0,0,0,0|1,0,0]=4 30726 B12R0.2 CCCCC(C)OC(C)CC(C)C 34a_100000211805_200011215066 [0,3,0,0,0,0|0,0,0]=3 30727 B12R0.2 CCCCC(C)OC(C)CC(C)C 34a_100000687866_100000731052 [0,3,0,0,0,0|0,0,0]=3 30728 B12R0.2 CCCCC(C)OC(C)CC(C)C 7a_100000211805_200011215066 [0,3,0,0,0,0|0,0,0]=3 30729 B12R0.2 CCCCC(C)OC(C)CC(C)C 7a_100000687866_100000731052 [0,3,0,0,0,0|0,0,0]=3 30730 B12R0.2 CCCCC(C)SC(C)CC(C)C 62a_100000731052_200011215066 [0,3,0,0,0,0|0,1,0]=4 30731 B12R0.2 CCCCC(C)SC(C)CC(C)C 62a_200011215066_100000731052 [0,3,0,0,0,0|0,1,0]=4 30732 B12R0.2 CCOCC(C)OC(C)CC(C)C 34a_100000718985_100000731052 [0,3,0,0,0,0|1,0,0]=4 30733 B12R0.2 CCOCC(C)OC(C)CC(C)C 7a_100000718985_100000731052 [0,3,0,0,0,0|1,0,0]=4 30734 B12R0.4 C#CCCCCOC(C)CC(C)C 34a_100000211805_100010269958 [0,3,0,0,0,0|0,0,1]=4 30735 B12R0.4 C#CCCCCOC(C)CC(C)C 34a_100000766709_100000731052 [0,3,0,0,0,0|0,0,1]=4 30736 B12R0.4 C#CCCCCOC(C)CC(C)C 7a_100000211805_100010269958 [0,3,0,0,0,0|0,0,1]=4 30737 B12R0.4 C#CCCCCOC(C)CC(C)C 7a_100000766709_100000731052 [0,3,0,0,0,0|0,0,1]=4 30738 B12R0.4 C#CCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000695029 [0,3,0,0,0,0|0,0,1]=4 30739 B12R0.4 C=C(C)CN(C)CCOCCCC 2230a_100000225649_100000743108 [0,3,0,0,0,0|0,0,1]=4 30740 B12R0.4 C=C(C)CN(C)CCOCCCC 269982a_100000225649_100000743108 [0,3,0,0,0,0|0,0,1]=4 30741 B12R0.4 C=CCCCCOC(C)CC(C)C 34a_100000211805_100011215482 [0,3,0,0,0,0|0,0,1]=4 30742 B12R0.4 C=CCCCCOC(C)CC(C)C 34a_100000766645_100000731052 [0,3,0,0,0,0|0,0,1]=4 30743 B12R0.4 C=CCCCCOC(C)CC(C)C 7a_100000211805_100011215482 [0,3,0,0,0,0|0,0,1]=4 30744 B12R0.4 C=CCCCCOC(C)CC(C)C 7a_100000766645_100000731052 [0,3,0,0,0,0|0,0,1]=4 30745 B12R0.4 C=CCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000757094 [0,3,0,0,0,0|0,0,1]=4 30746 B12R0.4 CC(C)CC(C)NCCCCCF 2230a_100000692259_100000729378 [0,3,0,0,0,0|1,0,0]=4 30747 B12R0.4 CC(C)CC(C)NCCCCCO 2230a_100000692259_100000746330 [0,3,0,0,0,0|1,0,0]=4 30748 B12R0.4 CC(C)CC(C)NCCCCCO 2230a_100000762737_100000731052 [0,3,0,0,0,0|1,0,0]=4 30749 B12R0.4 CC(C)CC(C)NCCCCCO 34a_100000762737_100000731052 [0,3,0,0,0,0|1,0,0]=4 30750 B12R0.4 CC(C)CC(C)OCCCCC#N 7a_100000211805_100000211819 [0,3,0,0,0,0|0,0,1]=4 30751 B12R0.4 CC(C)CC(C)OCCCCC=O 7a_100000211805_100000139335 [0,3,0,0,0,0|0,0,1]=4 30752 B12R0.4 CC(C)CC(C)OCCCCCBr 34a_100000746331_100000731052 [0,3,0,0,0,0|0,0,0]=3 30753 B12R0.4 CC(C)CC(C)OCCCCCBr 7a_100000746331_100000731052 [0,3,0,0,0,0|0,0,0]=3 30754 B12R0.4 CC(C)CC(C)OCCCCCCl 34a_100000746330_100000731052 [0,3,0,0,0,0|0,0,0]=3 30755 B12R0.4 CC(C)CC(C)OCCCCCCl 7a_100000746330_100000731052 [0,3,0,0,0,0|0,0,0]=3 30756 B12R0.4 CC(C)CC(C)OCCCCCF 34a_100000211805_100000729378 [0,3,0,0,0,0|0,0,0]=3 30757 B12R0.4 CC(C)CC(C)OCCCCCF 7a_100000211805_100000729378 [0,3,0,0,0,0|0,0,0]=3 30758 B12R0.4 CC(C)CC(C)OCCCCCI 34a_200012148887_100000731052 [0,3,0,0,0,0|0,0,0]=3 30759 B12R0.4 CC(C)CC(C)OCCCCCI 7a_200012148887_100000731052 [0,3,0,0,0,0|0,0,0]=3 30760 B12R0.4 CC(C)CC(C)OCCCCCN 34a_100000762737_100000731052 [0,3,0,0,0,0|0,0,0]=3 30761 B12R0.4 CC(C)CC(C)OCCCCCO 34a_100000211805_100000746330 [0,3,0,0,0,0|0,0,0]=3 30762 B12R0.4 CC(C)CC(C)OCCCCCO 7a_100000211805_100000746330 [0,3,0,0,0,0|0,0,0]=3 30763 B12R0.4 CC(C)CC(C)OCCOCCBr 34a_100000692535_100000731052 [0,3,0,0,0,0|1,0,0]=4 30764 B12R0.4 CC(C)CC(C)OCCOCCBr 7a_100000692535_100000731052 [0,3,0,0,0,0|1,0,0]=4 30765 B12R0.4 CC(C)CC(C)OCCOCCCl 34a_100011215305_100000731052 [0,3,0,0,0,0|1,0,0]=4 30766 B12R0.4 CC(C)CC(C)OCCOCCCl 7a_100011215305_100000731052 [0,3,0,0,0,0|1,0,0]=4 30767 B12R0.4 CC(C)CC(C)OCCOCCF 34a_200015357709_100000731052 [0,3,0,0,0,0|1,0,0]=4 30768 B12R0.4 CC(C)CC(C)OCCOCCF 7a_200015357709_100000731052 [0,3,0,0,0,0|1,0,0]=4 30769 B12R0.4 CC(C)CC(C)OCCOCCI 34a_100012149058_100000731052 [0,3,0,0,0,0|1,0,0]=4 30770 B12R0.4 CC(C)CC(C)OCCOCCI 7a_100012149058_100000731052 [0,3,0,0,0,0|1,0,0]=4 30771 B12R0.4 CC(C)CC(C)OCCOCCN 34a_100000211614_100000731052 [0,3,0,0,0,0|1,0,0]=4 30772 B12R0.4 CC(C)CC(C)OCCOCCO 34a_100000211805_100000692535 [0,3,0,0,0,0|1,0,0]=4 30773 B12R0.4 CC(C)CC(C)OCCOCCO 7a_100000211805_100011215305 [0,3,0,0,0,0|1,0,0]=4 30774 B12R0.4 CC(C)CC(C)SCCCCCF 62a_100000729378_100000731052 [0,3,0,0,0,0|0,1,0]=4 30775 B12R0.4 CC(C)CC(C)SCCCCCF 62a_100000731052_100000729378 [0,3,0,0,0,0|0,1,0]=4 30776 B12R0.4 CC(C)CC(C)SCCCCCO 62a_100000731052_100000746330 [0,3,0,0,0,0|0,1,0]=4 30777 B12R0.4 CC(C)CC(C)SCCCCCO 62a_100000746330_100000731052 [0,3,0,0,0,0|0,1,0]=4 30778 B12R0.4 CC(C)C[C@H](N)CCOCCCF 34a_100161151251_100011934791 [0,3,0,0,0,0|1,0,0]=4 30779 B12R0.4 CC(C)C[C@H](N)CCOCCCO 34a_100161151251_100000230001 [0,3,0,0,0,0|1,0,0]=4 30780 B12R0.4 CC(C)C[C@H](N)COCCCCF 34a_100011830311_100000729493 [0,3,0,0,0,0|0,0,0]=3 30781 B12R0.4 CC(C)C[C@H](N)COCCCCO 34a_100011830311_100011216708 [0,3,0,0,0,0|0,0,0]=3 30782 B12R0.4 CC(COCCCCCl)CN(C)C 7a_100000210776_100015348159 [0,3,0,0,0,0|1,0,0]=4 30783 B12R0.4 CC(COCCCCF)CN(C)C 7a_100011995726_100015348159 [0,3,0,0,0,0|1,0,0]=4 30784 B12R0.4 CC/C=C\CCOC(C)CC(C)C 34a_100000211805_100015370543 [0,3,0,0,0,0|0,0,1]=4 30785 B12R0.4 CC/C=C\CCOC(C)CC(C)C 34a_100016288707_100000731052 [0,3,0,0,0,0|0,0,1]=4 30786 B12R0.4 CC/C=C\CCOC(C)CC(C)C 7a_100000211805_100015370543 [0,3,0,0,0,0|0,0,1]=4 30787 B12R0.4 CC/C=C\CCOC(C)CC(C)C 7a_100016288707_100000731052 [0,3,0,0,0,0|0,0,1]=4 30788 B12R0.4 CC/C=C\COC[C@@H](N)CC(C)C 34a_100011830311_100103147603 [0,3,0,0,0,0|0,0,1]=4 30789 B12R0.4 CC=CCCCOC(C)CC(C)C 34a_100020645299_100000731052 [0,3,0,0,0,0|0,0,1]=4 30790 B12R0.4 CCC#CCCOC(C)CC(C)C 34a_100000036655_100000731052 [0,3,0,0,0,0|0,0,1]=4 30791 B12R0.4 CCC#CCCOC(C)CC(C)C 7a_100000036655_100000731052 [0,3,0,0,0,0|0,0,1]=4 30792 B12R0.4 CCC#CCOC[C@@H](N)CC(C)C 34a_100011830311_100009813939 [0,3,0,0,0,0|0,0,1]=4 30793 B12R0.4 CCC/C=C/COC(C)CC(C)C 34a_100016278788_100000731052 [0,3,0,0,0,0|0,0,1]=4 30794 B12R0.4 CCC/C=C/COC(C)CC(C)C 7a_100016278788_100000731052 [0,3,0,0,0,0|0,0,1]=4 30795 B12R0.4 CCCC#CCOC(C)CC(C)C 34a_100000034806_100000731052 [0,3,0,0,0,0|0,0,1]=4 30796 B12R0.4 CCCC#CCOC(C)CC(C)C 7a_100000034806_100000731052 [0,3,0,0,0,0|0,0,1]=4 30797 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210614 [0,3,0,0,0,0|1,0,0]=4 30798 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000211969_100000210624 [0,3,0,0,0,0|1,0,0]=4 30799 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [0,3,0,0,0,0|1,0,0]=4 30800 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [0,3,0,0,0,0|1,0,0]=4 30801 B12R0.4 CCCCCCCC(C)NC(C)C 2230a_100138425928_200011218727 [0,3,0,0,0,0|1,0,0]=4 30802 B12R0.4 CCCCCCCC(C)NC(C)C 34a_100138425928_200011218727 [0,3,0,0,0,0|1,0,0]=4 30803 B12R0.4 CCCCCCCC(C)OC(C)C 34a_100000212225_200011218727 [0,3,0,0,0,0|1,0,0]=4 30804 B12R0.4 CCCCCCCC(C)OC(C)C 34a_200011215852_100000210206 [0,3,0,0,0,0|1,0,0]=4 30805 B12R0.4 CCCCCCCC(C)OC(C)C 7a_200011215852_100000210206 [0,3,0,0,0,0|1,0,0]=4 30806 B12R0.4 CCCCCCCC(C)SC(C)C 62a_100000210206_200011218727 [0,3,0,0,0,0|1,0,0]=4 30807 B12R0.4 CCCCCCCC(C)SC(C)C 62a_200011218727_100000210206 [0,3,0,0,0,0|1,0,0]=4 30808 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [0,3,0,0,0,0|1,0,0]=4 30809 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [0,3,0,0,0,0|1,0,0]=4 30810 B12R0.4 CCCCCCCN(C)CC(C)C 2230a_100000228206_100000210760 [0,3,0,0,0,0|1,0,0]=4 30811 B12R0.4 CCCCCCCN(C)CC(C)C 2230a_100000747067_100000210681 [0,3,0,0,0,0|1,0,0]=4 30812 B12R0.4 CCCCCCCN(C)CC(C)C 269982a_100000228206_100000210624 [0,3,0,0,0,0|1,0,0]=4 30813 B12R0.4 CCCCCCCN(C)CC(C)C 269982a_100000747067_100000210681 [0,3,0,0,0,0|1,0,0]=4 30814 B12R0.4 CCCCCCCN(C)CC(C)C 270004a_100000228206_100000210432 [0,3,0,0,0,0|1,0,0]=4 30815 B12R0.4 CCCCCCCN(C)CC(C)O 2230a_100000227577_100000210681 [0,3,0,0,0,0|1,0,0]=4 30816 B12R0.4 CCCCCCCN(C)CC(C)O 2230a_100000228206_100011218427 [0,3,0,0,0,0|1,0,0]=4 30817 B12R0.4 CCCCCCCN(C)CC(C)O 269982a_100000227577_100000210681 [0,3,0,0,0,0|1,0,0]=4 30818 B12R0.4 CCCCCCCN(C)CC(C)O 269982a_100000228206_100011218427 [0,3,0,0,0,0|1,0,0]=4 30819 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 2230a_100000228206_100009817552 [0,3,0,0,0,0|1,0,0]=4 30820 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 269982a_100000228206_100009817552 [0,3,0,0,0,0|1,0,0]=4 30821 B12R0.4 CCCCCCNC(C)CC(C)C 2230a_100000210581_100000731052 [0,3,0,0,0,0|1,0,0]=4 30822 B12R0.4 CCCCCCNC(C)CC(C)C 2230a_100000692259_100000210314 [0,3,0,0,0,0|1,0,0]=4 30823 B12R0.4 CCCCCCOC(C)CC(C)C 34a_100000210259_100000731052 [0,3,0,0,0,0|0,0,0]=3 30824 B12R0.4 CCCCCCOC(C)CC(C)C 34a_100000211805_100000210314 [0,3,0,0,0,0|0,0,0]=3 30825 B12R0.4 CCCCCCOC(C)CC(C)C 7a_100000210259_100000731052 [0,3,0,0,0,0|0,0,0]=3 30826 B12R0.4 CCCCCCOC(C)CC(C)C 7a_100000211805_100000210314 [0,3,0,0,0,0|0,0,0]=3 30827 B12R0.4 CCCCCCSC(C)CC(C)C 62a_100000210314_100000731052 [0,3,0,0,0,0|0,1,0]=4 30828 B12R0.4 CCCCCCSC(C)CC(C)C 62a_100000731052_100000210757 [0,3,0,0,0,0|0,1,0]=4 30829 B12R0.4 CCCCCNCC(C)CN(C)C 2230a_100000209983_100015348159 [0,3,0,0,0,0|1,0,0]=4 30830 B12R0.4 CCCCCOCC(=O)NC(C)C 34a_100000210253_100000183996 [0,3,0,0,0,0|0,0,1]=4 30831 B12R0.4 CCCCCOCC(=O)NC(C)C 7a_100000210253_100000183996 [0,3,0,0,0,0|0,0,1]=4 30832 B12R0.4 CCCCCOCC(=O)OC(C)C 34a_100000210253_100011215430 [0,3,0,0,0,0|0,0,1]=4 30833 B12R0.4 CCCCCOCC(=O)OC(C)C 7a_100000210253_100011215430 [0,3,0,0,0,0|0,0,1]=4 30834 B12R0.4 CCCCCOCC(C)CN(C)C 7a_100000210253_100015348159 [0,3,0,0,0,0|0,0,0]=3 30835 B12R0.4 CCCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000718602 [0,3,0,0,0,0|0,0,0]=3 30836 B12R0.4 CCCCCSCC(C)CN(C)C 62a_100000210326_100015348159 [0,3,0,0,0,0|0,1,0]=4 30837 B12R0.4 CCCCCSCC(C)CN(C)C 62a_100015348159_100000210326 [0,3,0,0,0,0|0,1,0]=4 30838 B12R0.4 CCCCOCCC(=O)CC(C)C 1458a_100000210554_100000743108 [0,3,0,0,0,0|0,0,0]=3 30839 B12R0.4 CCCCOCCC(=O)CN(C)C 1458a_100000750896_100000743108 [0,3,0,0,0,0|0,0,1]=4 30840 B12R0.4 CCCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100000743108 [0,3,0,0,0,0|0,0,0]=3 30841 B12R0.4 CCCCOCCC(=O)C[S+](C)C 1458a_200159257847_100000743108 [0,3,0,0,0,0|0,0,1]=4 30842 B12R0.4 CCCCOCCC(=O)NC(C)C 7a_100000210227_100000737564 [0,3,0,0,0,0|0,0,1]=4 30843 B12R0.4 CCCCOCCC(=O)OC(C)C 7a_100000210227_100000760027 [0,3,0,0,0,0|0,0,1]=4 30844 B12R0.4 CCCCOCCN(C)CC(C)C 2230a_100000747067_100000743108 [0,3,0,0,0,0|0,0,0]=3 30845 B12R0.4 CCCCOCCN(C)CC(C)C 269982a_100000747067_100000743108 [0,3,0,0,0,0|0,0,0]=3 30846 B12R0.4 CCCCOCCN(C)CC(C)O 2230a_100000227577_100000743108 [0,3,0,0,0,0|0,0,0]=3 30847 B12R0.4 CCCCOCCN(C)CC(C)O 269982a_100000227577_100000743108 [0,3,0,0,0,0|0,0,0]=3 30848 B12R0.4 CCCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210210 [0,3,0,0,0,0|0,0,0]=3 30849 B12R0.4 CCCCOCNC(C)CC(C)C 2230a_100000692259_100011995733 [0,3,0,0,0,0|0,0,0]=3 30850 B12R0.4 CCCCOCOC(C)CC(C)C 34a_100000211805_100011995733 [0,3,0,0,0,0|0,0,0]=3 30851 B12R0.4 CCCCOCSC(C)CC(C)C 62a_100000731052_100011995733 [0,3,0,0,0,0|0,0,0]=3 30852 B12R0.4 CCCCOCSC(C)CC(C)C 62a_100011995733_100000731052 [0,3,0,0,0,0|0,0,0]=3 30853 B12R0.4 CCCCOCSC(C)CN(C)C 62a_100011995733_100020606517 [0,3,0,0,0,0|1,0,0]=4 30854 B12R0.4 CCCCOCSC(C)CN(C)C 62a_100020606517_100011995733 [0,3,0,0,0,0|1,0,0]=4 30855 B12R0.4 CCCOCCNC(C)CC(C)C 2230a_100000692259_100011215938 [0,3,0,0,0,0|1,0,0]=4 30856 B12R0.4 CCCOCCNC(C)CC(C)C 2230a_100161115042_100000731052 [0,3,0,0,0,0|1,0,0]=4 30857 B12R0.4 CCCOCCNC(C)CC(C)C 34a_100161115042_100000731052 [0,3,0,0,0,0|1,0,0]=4 30858 B12R0.4 CCCOCCOC(C)CC(C)C 34a_100000211805_100011215938 [0,3,0,0,0,0|0,0,0]=3 30859 B12R0.4 CCCOCCOC(C)CC(C)C 34a_100000752267_100000731052 [0,3,0,0,0,0|0,0,0]=3 30860 B12R0.4 CCCOCCOC(C)CC(C)C 7a_100000211805_100011215938 [0,3,0,0,0,0|0,0,0]=3 30861 B12R0.4 CCCOCCOC(C)CC(C)C 7a_100000752267_100000731052 [0,3,0,0,0,0|0,0,0]=3 30862 B12R0.4 CCCOCCSC(C)CC(C)C 62a_100000731052_100011215938 [0,3,0,0,0,0|0,1,0]=4 30863 B12R0.4 CCCOCCSC(C)CC(C)C 62a_100011215938_100000731052 [0,3,0,0,0,0|0,1,0]=4 30864 B12R0.4 CCCSCCNC(C)CC(C)C 2230a_100020603323_100000731052 [0,3,0,0,0,0|1,0,0]=4 30865 B12R0.4 CCCSCCOC(C)CC(C)C 34a_200000230433_100000731052 [0,3,0,0,0,0|0,0,0]=3 30866 B12R0.4 CCCSCCOC(C)CC(C)C 7a_200000230433_100000731052 [0,3,0,0,0,0|0,0,0]=3 30867 B12R0.4 CCOCCCNC(C)CC(C)C 2230a_100000210961_100000731052 [0,3,0,0,0,0|1,0,0]=4 30868 B12R0.4 CCOCCCNC(C)CC(C)C 2230a_100000692259_100012232248 [0,3,0,0,0,0|1,0,0]=4 30869 B12R0.4 CCOCCCNC(C)CC(C)C 34a_100000210961_100000731052 [0,3,0,0,0,0|1,0,0]=4 30870 B12R0.4 CCOCCCOC(C)CC(C)C 34a_100000211805_100012232248 [0,3,0,0,0,0|0,0,0]=3 30871 B12R0.4 CCOCCCOC(C)CC(C)C 34a_100000757476_100000731052 [0,3,0,0,0,0|0,0,0]=3 30872 B12R0.4 CCOCCCOC(C)CC(C)C 7a_100000211805_100012232248 [0,3,0,0,0,0|0,0,0]=3 30873 B12R0.4 CCOCCCOC(C)CC(C)C 7a_100000757476_100000731052 [0,3,0,0,0,0|0,0,0]=3 30874 B12R0.4 CCOCCCSC(C)CC(C)C 62a_100000731052_100012232248 [0,3,0,0,0,0|0,1,0]=4 30875 B12R0.4 CCOCCCSC(C)CC(C)C 62a_100012232248_100000731052 [0,3,0,0,0,0|0,1,0]=4 30876 B12R0.4 CCOCCOCC(C)CN(C)C 7a_100000210136_100015348159 [0,3,0,0,0,0|1,0,0]=4 30877 B12R0.4 CCOCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210147 [0,3,0,0,0,0|0,0,0]=3 30878 B12R0.4 CCSCCCOC(C)CC(C)C 34a_100011216438_100000731052 [0,3,0,0,0,0|0,0,0]=3 30879 B12R0.4 CCSCCCOC(C)CC(C)C 7a_100011216438_100000731052 [0,3,0,0,0,0|0,0,0]=3 30880 B12R0.4 CCSCCOCC(C)CN(C)C 7a_100000212035_100015348159 [0,3,0,0,0,0|1,0,0]=4 30881 B12R0.4 CCSCCOC[C@@H](N)CC(C)C 34a_100011830311_100000757381 [0,3,0,0,0,0|0,0,0]=3 30882 B12R0.4 COCCCCNC(C)CC(C)C 2230a_100000692259_100000730899 [0,3,0,0,0,0|1,0,0]=4 30883 B12R0.4 COCCCCOC(C)CC(C)C 34a_100000211805_100000755781 [0,3,0,0,0,0|0,0,0]=3 30884 B12R0.4 COCCCCOC(C)CC(C)C 34a_100000740925_100000731052 [0,3,0,0,0,0|0,0,0]=3 30885 B12R0.4 COCCCCOC(C)CC(C)C 7a_100000211805_100000730899 [0,3,0,0,0,0|0,0,0]=3 30886 B12R0.4 COCCCCSC(C)CC(C)C 62a_100000730899_100000731052 [0,3,0,0,0,0|0,1,0]=4 30887 B12R0.4 COCCCCSC(C)CC(C)C 62a_100000731052_100000730899 [0,3,0,0,0,0|0,1,0]=4 30888 B12R0.4 COCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000740836 [0,3,0,0,0,0|0,0,0]=3 30889 B12R0.4 COCCOCCC(=O)CC(C)C 1458a_100000210554_100000695917 [0,3,0,0,0,0|1,0,0]=4 30890 B12R0.4 COCCOCCC(=O)CC(C)C 1458a_100000745395_100000210624 [0,3,0,0,0,0|1,0,0]=4 30891 B12R0.4 COCCOCCC(=O)CC(C)O 1458a_100000745395_100011218427 [0,3,0,0,0,0|1,0,0]=4 30892 B12R0.4 COCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100000695917 [0,3,0,0,0,0|1,0,0]=4 30893 B12R0.4 COCCOCCN(C)CC(C)C 2230a_100000747067_100000695917 [0,3,0,0,0,0|1,0,0]=4 30894 B12R0.4 COCCOCCN(C)CC(C)C 269982a_100000747067_100000695917 [0,3,0,0,0,0|1,0,0]=4 30895 B12R0.4 COCCOCCN(C)CC(C)O 2230a_100000227577_100000695917 [0,3,0,0,0,0|1,0,0]=4 30896 B12R0.4 COCCOCCN(C)CC(C)O 269982a_100000227577_100000695917 [0,3,0,0,0,0|1,0,0]=4 30897 B12R0.4 COCCOCC[C@@H](N)CC(C)C 34a_100161151251_100011201679 [0,3,0,0,0,0|1,0,0]=4 30898 B12R0.4 COCCOCNC(C)CC(C)C 2230a_100000692259_100000231047 [0,3,0,0,0,0|1,0,0]=4 30899 B12R0.4 COCCOCSC(C)CC(C)C 62a_100000231047_100000731052 [0,3,0,0,0,0|1,0,0]=4 30900 B12R0.4 COCCOCSC(C)CC(C)C 62a_100000731052_100000231047 [0,3,0,0,0,0|1,0,0]=4 30901 B12R0.4 CSCCCCOC(C)CC(C)C 34a_100011217163_100000731052 [0,3,0,0,0,0|0,0,0]=3 30902 B12R0.4 CSCCCCOC(C)CC(C)C 7a_100011217163_100000731052 [0,3,0,0,0,0|0,0,0]=3 30903 B12R0.4 CSCCCOCC(C)CN(C)C 7a_100000690336_100015348159 [0,3,0,0,0,0|1,0,0]=4 30904 B12R0.4 CSCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000212216 [0,3,0,0,0,0|1,0,0]=4 30905 B12R0.46 CCCCCOC(C)C(=O)C(C)C 7a_100000210253_100009893295 [0,3,0,0,0,0|0,0,1]=4 30906 B12R0.46 CCCCOCC(=O)C(C)C(C)C 1458a_100000755409_100011995733 [0,3,0,0,0,0|0,0,1]=4 30907 B12R0.46 CCCCOCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011995733 [0,3,0,0,0,0|0,0,1]=4 30908 B12R0.46 CCCCOCN(C)C(C)C(C)C 2230a_100000228512_100011995733 [0,3,0,0,0,0|1,0,0]=4 30909 B12R0.46 CCCCOCN(C)C(C)C(C)C 269982a_100000228512_100011995733 [0,3,0,0,0,0|1,0,0]=4 30910 B12R0.113 C#CC(C)OC(C)COCCCC 34a_100011217071_200000035995 [0,3,0,0,0,0|1,0,0]=4 30911 B12R0.113 C=CC(C)CC(=O)COCCCC 1458a_100011934298_100011995733 [0,3,0,0,0,0|0,0,1]=4 30912 B12R0.113 CCC(C)CC(=O)CCCCCF 1458a_100000708755_100000729378 [0,3,0,0,0,0|1,0,0]=4 30913 B12R0.113 CCC(C)CC(=O)CCCCCO 1458a_100000708755_100000746330 [0,3,0,0,0,0|1,0,0]=4 30914 B12R0.113 CCC(C)CC(=O)CCCCCO 1458a_100102619762_100000748023 [0,3,0,0,0,0|1,0,0]=4 30915 B12R0.113 CCC(C)CC(=O)CCCCOC 1458a_100000708755_100000755781 [0,3,0,0,0,0|1,0,0]=4 30916 B12R0.113 CCC(C)CC(=O)COCCOC 1458a_100000211095_100000748023 [0,3,0,0,0,0|1,0,0]=4 30917 B12R0.113 CCC(C)CC(C)NCCCCF 2230a_100000763565_100000729493 [0,3,0,0,0,0|1,0,0]=4 30918 B12R0.113 CCC(C)CC(C)NCCCCO 2230a_100000763565_100000210776 [0,3,0,0,0,0|1,0,0]=4 30919 B12R0.113 CCC(C)CC(C)NCCCCO 270004a_100000750430_100011710205 [0,3,0,0,0,0|1,0,0]=4 30920 B12R0.113 CCC(C)CC(C)NCCCOC 2230a_100000763565_100000740836 [0,3,0,0,0,0|1,0,0]=4 30921 B12R0.113 CCC(C)CC(C)NCCCOC 270004a_100150723488_100011710205 [0,3,0,0,0,0|1,0,0]=4 30922 B12R0.113 CCC(C)CC(C)NCCCSC 270004a_100000749238_100011710205 [0,3,0,0,0,0|1,0,0]=4 30923 B12R0.113 CCC(C)CN(C)CCCCCF 2230a_100000753921_100000729378 [0,3,0,0,0,0|1,0,0]=4 30924 B12R0.113 CCC(C)CN(C)CCCCCF 269982a_100000753921_100000729378 [0,3,0,0,0,0|1,0,0]=4 30925 B12R0.113 CCC(C)CN(C)CCCCCO 2230a_100000722520_100000748023 [0,3,0,0,0,0|1,0,0]=4 30926 B12R0.113 CCC(C)CN(C)CCCCCO 2230a_100000753921_100000746330 [0,3,0,0,0,0|1,0,0]=4 30927 B12R0.113 CCC(C)CN(C)CCCCCO 269982a_100000722520_100000748023 [0,3,0,0,0,0|1,0,0]=4 30928 B12R0.113 CCC(C)CN(C)CCCCCO 269982a_100000753921_100000746330 [0,3,0,0,0,0|1,0,0]=4 30929 B12R0.113 CCC(C)CN(C)CCCCCO 270004a_100000722520_100000243153 [0,3,0,0,0,0|1,0,0]=4 30930 B12R0.113 CCC(C)CN(C)CCCCOC 2230a_100000753921_100000730899 [0,3,0,0,0,0|1,0,0]=4 30931 B12R0.113 CCC(C)CN(C)CCCCOC 269982a_100000753921_100000730899 [0,3,0,0,0,0|1,0,0]=4 30932 B12R0.113 CCC(C)CN(C)COCCOC 2230a_100000753921_100000231047 [0,3,0,0,0,0|1,0,0]=4 30933 B12R0.113 CCC(C)CN(C)COCCOC 269982a_100000753921_100000231047 [0,3,0,0,0,0|1,0,0]=4 30934 B12R0.113 CCC(O)CC(=O)CCCCCF 1458a_100011667805_100000729378 [0,3,0,0,0,0|1,0,0]=4 30935 B12R0.113 CCC(O)CC(=O)CCCCCO 1458a_100011667805_100000746330 [0,3,0,0,0,0|1,0,0]=4 30936 B12R0.113 CCC(O)CC(=O)CCCCCO 1458a_100102619762_100011218378 [0,3,0,0,0,0|1,0,0]=4 30937 B12R0.113 CCC(O)CC(=O)CCCCOC 1458a_100011667805_100000755781 [0,3,0,0,0,0|1,0,0]=4 30938 B12R0.113 CCC(O)CC(=O)COCCOC 1458a_100000211095_100011218378 [0,3,0,0,0,0|1,0,0]=4 30939 B12R0.113 CCC(O)CN(C)CCCCCO 2230a_100000722520_100011218378 [0,3,0,0,0,0|1,0,0]=4 30940 B12R0.113 CCC(O)CN(C)CCCCCO 269982a_100000722520_100011218378 [0,3,0,0,0,0|1,0,0]=4 30941 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210757 [0,3,0,0,0,0|1,0,0]=4 30942 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100102632555_100000748023 [0,3,0,0,0,0|1,0,0]=4 30943 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210757 [0,3,0,0,0,0|1,0,0]=4 30944 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100102632555_100011218378 [0,3,0,0,0,0|1,0,0]=4 30945 B12R0.113 CCCCCCC(=O)C[C@@H](C)CC 1458a_100102632555_100009816398 [0,3,0,0,0,0|1,0,0]=4 30946 B12R0.113 CCCCCCC(C)NC(C)CC 2230a_100000209981_100011215978 [0,3,0,0,0,0|1,0,0]=4 30947 B12R0.113 CCCCCCC(C)NC(C)CC 2230a_100000210919_100000758301 [0,3,0,0,0,0|1,0,0]=4 30948 B12R0.113 CCCCCCC(C)NC(C)CC 270004a_100000209981_100000210826 [0,3,0,0,0,0|1,0,0]=4 30949 B12R0.113 CCCCCCC(C)NC(C)CC 34a_100000210919_100011215416 [0,3,0,0,0,0|1,0,0]=4 30950 B12R0.113 CCCCCCC(C)OC(C)CC 34a_100000210265_100011215416 [0,3,0,0,0,0|1,0,0]=4 30951 B12R0.113 CCCCCCC(C)OC(C)CC 7a_100000210228_100011215978 [0,3,0,0,0,0|1,0,0]=4 30952 B12R0.113 CCCCCCC(C)OC(C)CC 7a_100000210265_100000758301 [0,3,0,0,0,0|1,0,0]=4 30953 B12R0.113 CCCCCCC(C)SC(C)CC 62a_100000758301_100011215978 [0,3,0,0,0,0|1,0,0]=4 30954 B12R0.113 CCCCCCC(C)SC(C)CC 62a_100011215978_100000758301 [0,3,0,0,0,0|1,0,0]=4 30955 B12R0.113 CCCCCCN(C)CC(C)CC 2230a_100000753921_100000210314 [0,3,0,0,0,0|1,0,0]=4 30956 B12R0.113 CCCCCCN(C)CC(C)CC 2230a_106256046315_100000748023 [0,3,0,0,0,0|1,0,0]=4 30957 B12R0.113 CCCCCCN(C)CC(C)CC 269982a_100000753921_100000210757 [0,3,0,0,0,0|1,0,0]=4 30958 B12R0.113 CCCCCCN(C)CC(C)CC 269982a_106256046315_100000748023 [0,3,0,0,0,0|1,0,0]=4 30959 B12R0.113 CCCCCCN(C)CC(C)CC 270004a_106256046315_100000243153 [0,3,0,0,0,0|1,0,0]=4 30960 B12R0.113 CCCCCCN(C)CC(O)CC 2230a_106256046315_100011218378 [0,3,0,0,0,0|1,0,0]=4 30961 B12R0.113 CCCCCCN(C)CC(O)CC 269982a_106256046315_100011218378 [0,3,0,0,0,0|1,0,0]=4 30962 B12R0.113 CCCCCCN(C)C[C@@H](C)CC 2230a_106256046315_100009816398 [0,3,0,0,0,0|1,0,0]=4 30963 B12R0.113 CCCCCCN(C)C[C@@H](C)CC 269982a_106256046315_100009816398 [0,3,0,0,0,0|1,0,0]=4 30964 B12R0.113 CCCCCNC(=O)CC(C)CC 11a_100000209983_100000708755 [0,3,0,0,0,0|1,0,0]=4 30965 B12R0.113 CCCCCNC(=O)CC(C)CC 1626a_100000209983_100000708755 [0,3,0,0,0,0|1,0,0]=4 30966 B12R0.113 CCCCCNC(=O)CC(C)CC 240690a_100000209983_100000708755 [0,3,0,0,0,0|1,0,0]=4 30967 B12R0.113 CCCCCNC(=O)CC(C)CC 527a_100000209983_100000708755 [0,3,0,0,0,0|1,0,0]=4 30968 B12R0.113 CCCCCNC(=O)CC(O)CC 1626a_100000209983_100011667805 [0,3,0,0,0,0|1,0,0]=4 30969 B12R0.113 CCCCCNC(=O)CC(O)CC 240690a_100000209983_100011667805 [0,3,0,0,0,0|1,0,0]=4 30970 B12R0.113 CCCCCNC(C)CC(C)CC 2230a_100000763565_100000210326 [0,3,0,0,0,0|1,0,0]=4 30971 B12R0.113 CCCCCNC(C)CC(C)CC 270004a_100000209983_100011710205 [0,3,0,0,0,0|1,0,0]=4 30972 B12R0.113 CCCCCOC(C)CC(=O)OC 34a_100000210253_100009817358 [0,3,0,0,0,0|0,0,1]=4 30973 B12R0.113 CCCCCOC(C)CC(=O)OC 7a_100000210253_100009817358 [0,3,0,0,0,0|0,0,1]=4 30974 B12R0.113 CCCCOCC(=O)CC(=O)CC 1458a_100000757543_100000747405 [0,3,0,0,0,0|0,0,1]=4 30975 B12R0.113 CCCCOCC(=O)CC(C)CC 1458a_100000708755_100011995733 [0,3,0,0,0,0|0,0,0]=3 30976 B12R0.113 CCCCOCC(=O)CC(C)CC 1458a_100000757543_100000748023 [0,3,0,0,0,0|0,0,0]=3 30977 B12R0.113 CCCCOCC(=O)CC(O)CC 1458a_100000757543_100011218378 [0,3,0,0,0,0|0,0,0]=3 30978 B12R0.113 CCCCOCC(=O)CC(O)CC 1458a_100011667805_100011995733 [0,3,0,0,0,0|0,0,0]=3 30979 B12R0.113 CCCCOCC(=O)CN(C)CC 1458a_100116209913_100011995733 [0,3,0,0,0,0|0,0,1]=4 30980 B12R0.113 CCCCOCC(=O)C[C@@H](C)CC 1458a_100000757543_100009816398 [0,3,0,0,0,0|0,0,0]=3 30981 B12R0.113 CCCCOCC(=O)C[C@@H](C)CO 1458a_100000757543_100000059175 [0,3,0,0,0,0|0,0,1]=4 30982 B12R0.113 CCCCOCC(=O)NC(C)CC 11a_100000209981_100000757543 [0,3,0,0,0,0|0,0,1]=4 30983 B12R0.113 CCCCOCC(=O)NC(C)CC 1626a_100000209981_100000757543 [0,3,0,0,0,0|0,0,1]=4 30984 B12R0.113 CCCCOCC(=O)NC(C)CC 240690a_100000209981_100000757543 [0,3,0,0,0,0|0,0,1]=4 30985 B12R0.113 CCCCOCC(=O)NC(C)CC 34a_100000210227_100000182745 [0,3,0,0,0,0|0,0,1]=4 30986 B12R0.113 CCCCOCC(=O)NC(C)CC 527a_100000209981_100000757543 [0,3,0,0,0,0|0,0,1]=4 30987 B12R0.113 CCCCOCC(=O)NC(C)CC 7a_100000210227_100000182745 [0,3,0,0,0,0|0,0,1]=4 30988 B12R0.113 CCCCOCC(C)OC(C)C#N 7a_100011217071_100000703298 [0,3,0,0,0,0|1,0,0]=4 30989 B12R0.113 CCCCOCC(C)OC(C)CC 34a_100011217071_100011215416 [0,3,0,0,0,0|0,0,0]=3 30990 B12R0.113 CCCCOCC(C)OC(C)CC 7a_100011217071_100000758301 [0,3,0,0,0,0|0,0,0]=3 30991 B12R0.113 CCCCOCC(C)OC(C)CO 34a_100011217071_100012180447 [0,3,0,0,0,0|1,0,0]=4 30992 B12R0.113 CCCCOCC(C)OC(C)CO 7a_100011217071_100012180447 [0,3,0,0,0,0|1,0,0]=4 30993 B12R0.113 CCCCOCN(C)CC(C)CC 2230a_100000753921_100011995733 [0,3,0,0,0,0|0,0,0]=3 30994 B12R0.113 CCCCOCN(C)CC(C)CC 269982a_100000753921_100011995733 [0,3,0,0,0,0|0,0,0]=3 30995 B12R0.113 CCCCOCN(C)CC(O)CO 2230a_100011216503_100011995733 [0,3,0,0,0,0|1,0,0]=4 30996 B12R0.113 CCCCOCN(C)CC(O)CO 269982a_100011216503_100011995733 [0,3,0,0,0,0|1,0,0]=4 30997 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 34a_100000210227_100000754131 [0,3,0,0,0,0|0,0,1]=4 30998 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 7a_100000210227_100000754131 [0,3,0,0,0,0|0,0,1]=4 30999 B12R0.113 CCCCSCC(=O)CC(C)CC 1458a_100000191162_100000748023 [0,3,0,0,0,0|0,1,0]=4 31000 B12R0.113 CCCCSCC(=O)CC(O)CC 1458a_100000191162_100011218378 [0,3,0,0,0,0|0,1,0]=4 31001 B12R0.113 CCCCSCC(=O)C[C@@H](C)CC 1458a_100000191162_100009816398 [0,3,0,0,0,0|0,1,0]=4 31002 B12R0.113 CCCOCCC(=O)CC(C)CC 1458a_100000708755_100011215938 [0,3,0,0,0,0|1,0,0]=4 31003 B12R0.113 CCCOCCC(=O)CC(O)CC 1458a_100011667805_100011215938 [0,3,0,0,0,0|1,0,0]=4 31004 B12R0.113 CCCOCCN(C)CC(C)CC 2230a_100000753921_100011215938 [0,3,0,0,0,0|1,0,0]=4 31005 B12R0.113 CCCOCCN(C)CC(C)CC 269982a_100000753921_100011215938 [0,3,0,0,0,0|1,0,0]=4 31006 B12R0.113 CCOCCCC(=O)CC(C)CC 1458a_100000708755_100012232248 [0,3,0,0,0,0|1,0,0]=4 31007 B12R0.113 CCOCCCC(=O)CC(O)CC 1458a_100011667805_100012232248 [0,3,0,0,0,0|1,0,0]=4 31008 B12R0.113 CCOCCCN(C)CC(C)CC 2230a_100000753921_100012232248 [0,3,0,0,0,0|1,0,0]=4 31009 B12R0.113 CCOCCCN(C)CC(C)CC 269982a_100000753921_100012232248 [0,3,0,0,0,0|1,0,0]=4 31010 B12R0.113 CCOCCNC(C)CC(C)CC 2230a_100000763565_100011215890 [0,3,0,0,0,0|1,0,0]=4 31011 B12R0.113 CCOCCNC(C)CC(C)CC 270004a_102516460346_100011710205 [0,3,0,0,0,0|1,0,0]=4 31012 B12R0.113 CCSCCNC(C)CC(C)CC 2230a_100000763565_100000757381 [0,3,0,0,0,0|1,0,0]=4 31013 B12R0.113 CCSCCNC(C)CC(C)CC 270004a_100000106463_100011710205 [0,3,0,0,0,0|1,0,0]=4 31014 B12R0.113 CC[C@H](C)CC(=O)CCCCCO 1458a_100102619762_100009816398 [0,3,0,0,0,0|1,0,0]=4 31015 B12R0.113 CC[C@H](C)CC(=O)COCCOC 1458a_100000211095_100009816398 [0,3,0,0,0,0|1,0,0]=4 31016 B12R0.113 CC[C@H](C)CN(C)CCCCCO 2230a_100000722520_100009816398 [0,3,0,0,0,0|1,0,0]=4 31017 B12R0.113 CC[C@H](C)CN(C)CCCCCO 269982a_100000722520_100009816398 [0,3,0,0,0,0|1,0,0]=4 31018 B12R0.125 CC(CC(C)(C)C)OCCCCF 7a_200011218616_100000729493 [0,3,0,0,0,0|1,0,0]=4 31019 B12R0.125 CC(CC(C)(C)C)OCCCCO 7a_200011218616_100000210776 [0,3,0,0,0,0|1,0,0]=4 31020 B12R0.125 CC(COCCCF)CC(C)(C)C 7a_200011215325_100011934791 [0,3,0,0,0,0|1,0,0]=4 31021 B12R0.125 CC(COCCCO)CC(C)(C)C 7a_200011215325_100011215043 [0,3,0,0,0,0|1,0,0]=4 31022 B12R0.125 CCCCCN[C@@H](C)CC(C)(C)C 2230a_106358413534_100000210326 [0,3,0,0,0,0|1,0,0]=4 31023 B12R0.125 CCCCCOC(C)CC(C)(C)C 7a_200011218616_100000210326 [0,3,0,0,0,0|0,0,0]=3 31024 B12R0.125 CCCCCOC(C)CC(F)(F)F 34a_100000210253_200000065471 [0,3,0,0,0,0|1,0,0]=4 31025 B12R0.125 CCCCCOC(C)CC(F)(F)F 34a_200011470763_100000718602 [0,3,0,0,0,0|1,0,0]=4 31026 B12R0.125 CCCCCOC(C)CC(F)(F)F 7a_100000210253_200000065471 [0,3,0,0,0,0|1,0,0]=4 31027 B12R0.125 CCCCCOC(C)CC(F)(F)F 7a_200011470763_100000210326 [0,3,0,0,0,0|1,0,0]=4 31028 B12R0.125 CCCCOCC(=O)CC(C)(C)C 1458a_100000211214_100011995733 [0,3,0,0,0,0|0,0,1]=4 31029 B12R0.125 CCCCOCC(=O)CC(C)(C)O 1458a_100000693243_100011995733 [0,3,0,0,0,0|0,0,1]=4 31030 B12R0.125 CCCCOCC(C)CC(C)(C)C 7a_200011215325_100000210211 [0,3,0,0,0,0|0,0,0]=3 31031 B12R0.125 CCCCOCC(C)CC(F)(F)F 34a_100000034823_100000210210 [0,3,0,0,0,0|1,0,0]=4 31032 B12R0.125 CCCCOCC(C)CC(F)(F)F 34a_100000210227_100009814340 [0,3,0,0,0,0|1,0,0]=4 31033 B12R0.125 CCCCOCC(C)CC(F)(F)F 7a_100000034823_100000210211 [0,3,0,0,0,0|1,0,0]=4 31034 B12R0.125 CCCCOCC(C)CC(F)(F)F 7a_100000210227_100009814340 [0,3,0,0,0,0|1,0,0]=4 31035 B12R0.125 CCCCOCC(C)OC(C)(C)C 34a_100011217071_100000210625 [0,3,0,0,0,0|1,0,0]=4 31036 B12R0.125 CCCCOCC(O)C[N+](C)(C)C 34a_100000210227_100000032816 [0,3,0,0,0,0|1,0,0]=4 31037 B12R0.125 CCCCOCC(O)C[N+](C)(C)C 7a_100000210227_100000032816 [0,3,0,0,0,0|1,0,0]=4 31038 B12R0.125 CCCCOCN(C)CC(C)(C)C 2230a_100000742839_100011995733 [0,3,0,0,0,0|1,0,0]=4 31039 B12R0.125 CCCCOCN(C)CC(C)(C)C 269982a_100000742839_100011995733 [0,3,0,0,0,0|1,0,0]=4 31040 B12R0.125 CCCCOCN(C)CC(C)(C)O 2230a_100000755907_100011995733 [0,3,0,0,0,0|1,0,0]=4 31041 B12R0.125 CCCCOCN(C)CC(C)(C)O 269982a_100000755907_100011995733 [0,3,0,0,0,0|1,0,0]=4 31042 B12R0.125 CCOCCOC(C)CC(C)(C)C 7a_200011218616_100011215890 [0,3,0,0,0,0|1,0,0]=4 31043 B12R0.125 CCSCCOC(C)CC(C)(C)C 7a_200011218616_100000757381 [0,3,0,0,0,0|1,0,0]=4 31044 B12R0.125 COCCCOC(C)CC(C)(C)C 7a_200011218616_100000740836 [0,3,0,0,0,0|1,0,0]=4 31045 B12R0.125 COCCOCC(C)CC(C)(C)C 7a_200011215325_100000233755 [0,3,0,0,0,0|1,0,0]=4 31046 B12R0.125 CSCCOCC(C)CC(C)(C)C 7a_200011215325_100000212216 [0,3,0,0,0,0|1,0,0]=4 31047 B12R0.141 CCCCCC(=O)C(C)CC(C)C 1458a_100000212188_100000731052 [0,3,0,0,0,0|1,0,0]=4 31048 B12R0.141 CCCCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210326 [0,3,0,0,0,0|1,0,0]=4 31049 B12R0.141 CCCCCN(C)C(C)CC(C)C 2230a_100000223495_100000731052 [0,3,0,0,0,0|1,0,0]=4 31050 B12R0.141 CCCCCN(C)C(C)CC(C)C 2230a_100000745462_100000210326 [0,3,0,0,0,0|1,0,0]=4 31051 B12R0.141 CCCCCN(C)C(C)CC(C)C 269982a_100000223495_100000731052 [0,3,0,0,0,0|1,0,0]=4 31052 B12R0.141 CCCCCN(C)C(C)CC(C)C 269982a_100000745462_100000210215 [0,3,0,0,0,0|1,0,0]=4 31053 B12R0.202 C#CC(CC(C)C)OCCCCC 34a_100011215986_100000718602 [0,3,0,0,0,0|0,0,0]=3 31054 B12R0.202 C#CC(CC(C)C)OCCCCC 7a_100011215986_100000210326 [0,3,0,0,0,0|0,0,0]=3 31055 B12R0.202 C#CC(CC(C)C)OCCCCF 34a_100011215986_100000729493 [0,3,0,0,0,0|1,0,0]=4 31056 B12R0.202 C#CC(CC(C)C)OCCCCF 7a_100011215986_100000729493 [0,3,0,0,0,0|1,0,0]=4 31057 B12R0.202 C#CC(CC(C)C)OCCCCO 34a_100011215986_100011216708 [0,3,0,0,0,0|1,0,0]=4 31058 B12R0.202 C#CC(CC(C)C)OCCCCO 7a_100011215986_100000210776 [0,3,0,0,0,0|1,0,0]=4 31059 B12R0.202 C#CC(CC(C)C)OCCCOC 34a_100011215986_100000740836 [0,3,0,0,0,0|1,0,0]=4 31060 B12R0.202 C#CC(CC(C)C)OCCCOC 7a_100011215986_100000740836 [0,3,0,0,0,0|1,0,0]=4 31061 B12R0.202 C#CC(CC(C)C)OCCOCC 34a_100011215986_100000210147 [0,3,0,0,0,0|1,0,0]=4 31062 B12R0.202 C#CC(CC(C)C)OCCOCC 7a_100011215986_100011215890 [0,3,0,0,0,0|1,0,0]=4 31063 B12R0.202 C#CC(CC(C)C)OCCSCC 34a_100011215986_100000757381 [0,3,0,0,0,0|1,0,0]=4 31064 B12R0.202 C#CC(CC(C)C)OCCSCC 7a_100011215986_100000757381 [0,3,0,0,0,0|1,0,0]=4 31065 B12R0.202 C=CC(CC(C)C)OCCCCC 34a_100012186643_100000718602 [0,3,0,0,0,0|0,0,0]=3 31066 B12R0.202 C=CC(CC(C)C)OCCCCC 7a_100012186643_100000210326 [0,3,0,0,0,0|0,0,0]=3 31067 B12R0.202 C=CC(CC(C)C)OCCCCF 34a_100012186643_100000729493 [0,3,0,0,0,0|1,0,0]=4 31068 B12R0.202 C=CC(CC(C)C)OCCCCF 7a_100012186643_100000729493 [0,3,0,0,0,0|1,0,0]=4 31069 B12R0.202 C=CC(CC(C)C)OCCCCO 34a_100012186643_100011216708 [0,3,0,0,0,0|1,0,0]=4 31070 B12R0.202 C=CC(CC(C)C)OCCCCO 7a_100012186643_100000210776 [0,3,0,0,0,0|1,0,0]=4 31071 B12R0.202 C=CC(CC(C)C)OCCCOC 34a_100012186643_100000740836 [0,3,0,0,0,0|1,0,0]=4 31072 B12R0.202 C=CC(CC(C)C)OCCCOC 7a_100012186643_100000740836 [0,3,0,0,0,0|1,0,0]=4 31073 B12R0.202 C=CC(CC(C)C)OCCOCC 34a_100012186643_100000210147 [0,3,0,0,0,0|1,0,0]=4 31074 B12R0.202 C=CC(CC(C)C)OCCOCC 7a_100012186643_100011215890 [0,3,0,0,0,0|1,0,0]=4 31075 B12R0.202 C=CC(CC(C)C)OCCSCC 34a_100012186643_100000757381 [0,3,0,0,0,0|1,0,0]=4 31076 B12R0.202 C=CC(CC(C)C)OCCSCC 7a_100012186643_100000757381 [0,3,0,0,0,0|1,0,0]=4 31077 B12R0.202 CC(C)CC(C#N)OCCCCF 34a_200011294978_100000729493 [0,3,0,0,0,0|1,0,0]=4 31078 B12R0.202 CC(C)CC(C#N)OCCCCF 7a_200011294978_100000729493 [0,3,0,0,0,0|1,0,0]=4 31079 B12R0.202 CC(C)CC(C#N)OCCCCO 34a_200011294978_100011216708 [0,3,0,0,0,0|1,0,0]=4 31080 B12R0.202 CC(C)CC(C#N)OCCCCO 7a_200011294978_100000210776 [0,3,0,0,0,0|1,0,0]=4 31081 B12R0.202 CC(C)CC(CN)COCCCF 34a_200000723437_100011934791 [0,3,0,0,0,0|1,0,0]=4 31082 B12R0.202 CC(C)CC(CN)COCCCO 34a_200000723437_100000230001 [0,3,0,0,0,0|1,0,0]=4 31083 B12R0.202 CCC(COCCCF)CC(C)C 34a_100012186708_100011934791 [0,3,0,0,0,0|1,0,0]=4 31084 B12R0.202 CCC(COCCCF)CC(C)C 7a_100012186708_100011934791 [0,3,0,0,0,0|1,0,0]=4 31085 B12R0.202 CCC(COCCCO)CC(C)C 34a_100012186708_100000230001 [0,3,0,0,0,0|1,0,0]=4 31086 B12R0.202 CCC(COCCCO)CC(C)C 7a_100012186708_100011215043 [0,3,0,0,0,0|1,0,0]=4 31087 B12R0.202 CCC(COCCOC)CC(C)C 34a_100012186708_100011201679 [0,3,0,0,0,0|1,0,0]=4 31088 B12R0.202 CCC(COCCOC)CC(C)C 7a_100012186708_100000233755 [0,3,0,0,0,0|1,0,0]=4 31089 B12R0.202 CCC(COCCSC)CC(C)C 34a_100012186708_100000212216 [0,3,0,0,0,0|1,0,0]=4 31090 B12R0.202 CCC(COCCSC)CC(C)C 7a_100012186708_100000212216 [0,3,0,0,0,0|1,0,0]=4 31091 B12R0.202 CCCCCNC(C#N)CC(C)C 2230a_100000741378_100000210326 [0,3,0,0,0,0|1,0,0]=4 31092 B12R0.202 CCCCCN[C@H](CO)CC(C)C 2230a_100011830311_100000210326 [0,3,0,0,0,0|1,0,0]=4 31093 B12R0.202 CCCCCN[C@H](CO)CC(C)C 34a_100011830311_100000718602 [0,3,0,0,0,0|1,0,0]=4 31094 B12R0.202 CCCCCOC(C#N)CC(C)C 34a_200011294978_100000718602 [0,3,0,0,0,0|0,0,0]=3 31095 B12R0.202 CCCCCOC(C#N)CC(C)C 7a_200011294978_100000210326 [0,3,0,0,0,0|0,0,0]=3 31096 B12R0.202 CCCCNCC(CO)CC(C)C 34a_200000723437_100000210210 [0,3,0,0,0,0|1,0,0]=4 31097 B12R0.202 CCCCOCC(CC)CC(C)C 34a_100012186708_100000210210 [0,3,0,0,0,0|0,0,0]=3 31098 B12R0.202 CCCCOCC(CC)CC(C)C 7a_100012186708_100000210211 [0,3,0,0,0,0|0,0,0]=3 31099 B12R0.202 CCCCOCC(CN)CC(C)C 34a_200000723437_100000210210 [0,3,0,0,0,0|0,0,0]=3 31100 B12R0.202 CCCCOCN(CC)CC(C)C 2230a_100000738554_100011995733 [0,3,0,0,0,0|1,0,0]=4 31101 B12R0.202 CCCCOCN(CC)CC(C)C 269982a_100000738554_100011995733 [0,3,0,0,0,0|1,0,0]=4 31102 B12R0.202 CCCCOCN(CC)C[C@H](C)O 2230a_100000729506_100011995733 [0,3,0,0,0,0|1,0,0]=4 31103 B12R0.202 CCCCOCN(CC)C[C@H](C)O 269982a_100000729506_100011995733 [0,3,0,0,0,0|1,0,0]=4 31104 B12R0.202 CCOCCOC(C#N)CC(C)C 34a_200011294978_100000210147 [0,3,0,0,0,0|1,0,0]=4 31105 B12R0.202 CCOCCOC(C#N)CC(C)C 7a_200011294978_100011215890 [0,3,0,0,0,0|1,0,0]=4 31106 B12R0.202 CCSCCOC(C#N)CC(C)C 34a_200011294978_100000757381 [0,3,0,0,0,0|1,0,0]=4 31107 B12R0.202 CCSCCOC(C#N)CC(C)C 7a_200011294978_100000757381 [0,3,0,0,0,0|1,0,0]=4 31108 B12R0.202 COCCCOC(C#N)CC(C)C 34a_200011294978_100000740836 [0,3,0,0,0,0|1,0,0]=4 31109 B12R0.202 COCCCOC(C#N)CC(C)C 7a_200011294978_100000740836 [0,3,0,0,0,0|1,0,0]=4 31110 B12R0.202 COCCOCC(CN)CC(C)C 34a_200000723437_100011201679 [0,3,0,0,0,0|1,0,0]=4 31111 B12R0.202 CSCCOCC(CN)CC(C)C 34a_200000723437_100000212216 [0,3,0,0,0,0|1,0,0]=4 31112 B12R0.241 CC(C)C[C@H](N)COCC(O)CO 34a_100011830311_100011219619 [0,3,0,0,0,0|1,0,0]=4 31113 B12R0.241 CC(C)C[C@H](N)COC[C@@H](C)CO 34a_100011830311_100000059175 [0,3,0,0,0,0|1,0,0]=4 31114 B12R0.241 CC(C)C[C@H](N)COC[C@@H](O)CF 34a_100011830311_100015614560 [0,3,0,0,0,0|1,0,0]=4 31115 B12R0.241 CC(C)C[C@H](N)COC[C@@H](O)CO 34a_100011830311_100009815848 [0,3,0,0,0,0|1,0,0]=4 31116 B12R0.241 CCC(C)CCNC(C)CC(C)C 2230a_100020591266_100000731052 [0,3,0,0,0,0|1,0,0]=4 31117 B12R0.241 CCC(C)CCOC(C)CC(C)C 7a_100011215188_100000731052 [0,3,0,0,0,0|0,0,0]=3 31118 B12R0.241 CCC(C)COC[C@@H](N)CC(C)C 34a_100011830311_100000748023 [0,3,0,0,0,0|0,0,0]=3 31119 B12R0.241 CCC(O)COC[C@@H](N)CC(C)C 34a_100011830311_100011218378 [0,3,0,0,0,0|0,0,0]=3 31120 B12R0.241 CC[C@H](C)COCC(C)CN(C)C 7a_100009816381_100015348159 [0,3,0,0,0,0|1,0,0]=4 31121 B12R0.241 CC[C@H](C)COC[C@@H](N)CC(C)C 34a_100011830311_100009816398 [0,3,0,0,0,0|0,0,0]=3 31122 B12R0.241 COC(C)CCOC(C)CC(C)C 7a_100000764861_100000731052 [0,3,0,0,0,0|1,0,0]=4 31123 B12R0.270 C=C(C)CCOC[C@@H](N)CC(C)C 34a_100011830311_100000730704 [0,3,0,0,0,0|0,0,1]=4 31124 B12R0.270 CC(=O)CCCOC(C)CC(C)C 34a_100000211805_100000685027 [0,3,0,0,0,0|0,0,1]=4 31125 B12R0.270 CC(=O)CCCOC(C)CC(C)C 34a_100000759063_100000731052 [0,3,0,0,0,0|0,0,1]=4 31126 B12R0.270 CC(=O)CCCOC(C)CC(C)C 7a_100000211805_100011215641 [0,3,0,0,0,0|0,0,1]=4 31127 B12R0.270 CC(=O)CCCOC(C)CC(C)C 7a_100000759063_100000731052 [0,3,0,0,0,0|0,0,1]=4 31128 B12R0.270 CC(C)CC(C)NCCCC(C)O 2230a_100000692259_200000718107 [0,3,0,0,0,0|1,0,0]=4 31129 B12R0.270 CC(C)CC(C)OCCCC(C)O 34a_100000211805_200000718107 [0,3,0,0,0,0|0,0,0]=3 31130 B12R0.270 CC(C)CC(C)OCCCC(C)O 7a_100000211805_200000718107 [0,3,0,0,0,0|0,0,0]=3 31131 B12R0.270 CC(C)CC(C)OCCCN(C)C 7a_100000211805_100000757444 [0,3,0,0,0,0|1,0,0]=4 31132 B12R0.270 CC(C)CC(C)OCCNC(C)C 34a_100000224655_100000731052 [0,3,0,0,0,0|1,0,0]=4 31133 B12R0.270 CC(C)CC(C)OCCOC(C)C 34a_100000211219_100000731052 [0,3,0,0,0,0|1,0,0]=4 31134 B12R0.270 CC(C)CC(C)OCCOC(C)C 34a_100000211805_100000211751 [0,3,0,0,0,0|1,0,0]=4 31135 B12R0.270 CC(C)CC(C)OCCOC(C)C 7a_100000211219_100000731052 [0,3,0,0,0,0|1,0,0]=4 31136 B12R0.270 CC(C)CC(C)OCCOC(C)C 7a_100000211805_100000211751 [0,3,0,0,0,0|1,0,0]=4 31137 B12R0.270 CC(C)CC(C)OCCSC(C)C 34a_100000211805_100000730970 [0,3,0,0,0,0|1,0,0]=4 31138 B12R0.270 CC(C)CC(C)OCCSC(C)C 34a_200011212901_100000731052 [0,3,0,0,0,0|1,0,0]=4 31139 B12R0.270 CC(C)CC(C)OCCSC(C)C 7a_100000211805_100000730970 [0,3,0,0,0,0|1,0,0]=4 31140 B12R0.270 CC(C)CC(C)OCCSC(C)C 7a_200011212901_100000731052 [0,3,0,0,0,0|1,0,0]=4 31141 B12R0.270 CC(C)CC(C)SCCCC(C)O 62a_100000731052_200000718107 [0,3,0,0,0,0|0,1,0]=4 31142 B12R0.270 CC(C)CC(C)SCCCC(C)O 62a_200000718107_100000731052 [0,3,0,0,0,0|0,1,0]=4 31143 B12R0.270 CC(C)CCCNC(C)CC(C)C 2230a_100000692259_100011214892 [0,3,0,0,0,0|1,0,0]=4 31144 B12R0.270 CC(C)CCCNC(C)CC(C)C 2230a_200000737386_100000731052 [0,3,0,0,0,0|1,0,0]=4 31145 B12R0.270 CC(C)CCCNC(C)CC(C)C 34a_200000737386_100000731052 [0,3,0,0,0,0|1,0,0]=4 31146 B12R0.270 CC(C)CCCOC(C)CC(C)C 34a_100000210774_100000731052 [0,3,0,0,0,0|0,0,0]=3 31147 B12R0.270 CC(C)CCCOC(C)CC(C)C 34a_100000211805_100011214892 [0,3,0,0,0,0|0,0,0]=3 31148 B12R0.270 CC(C)CCCOC(C)CC(C)C 7a_100000210774_100000731052 [0,3,0,0,0,0|0,0,0]=3 31149 B12R0.270 CC(C)CCCOC(C)CC(C)C 7a_100000211805_100011214892 [0,3,0,0,0,0|0,0,0]=3 31150 B12R0.270 CC(C)CCCSC(C)CC(C)C 62a_100000731052_100011214892 [0,3,0,0,0,0|0,1,0]=4 31151 B12R0.270 CC(C)CCCSC(C)CC(C)C 62a_100011214892_100000731052 [0,3,0,0,0,0|0,1,0]=4 31152 B12R0.270 CC(C)CCOCC(C)CN(C)C 7a_100000210254_100015348159 [0,3,0,0,0,0|1,0,0]=4 31153 B12R0.270 CC(C)CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210312 [0,3,0,0,0,0|0,0,0]=3 31154 B12R0.270 CC(C)C[C@H](N)COCCC(C)O 34a_100011830311_100012276601 [0,3,0,0,0,0|0,0,0]=3 31155 B12R0.270 CC(C)C[C@H](N)COCOC(C)C 34a_100011830311_100000709892 [0,3,0,0,0,0|1,0,0]=4 31156 B12R0.272 CC(C)CC(C)OCC(C)CCN 34a_106354213184_100000731052 [0,3,0,0,0,0|1,0,0]=4 31157 B12R0.272 CC(C)C[C@H](N)COC(C)CCO 34a_100011830311_100009893172 [0,3,0,0,0,0|1,0,0]=4 31158 B12R0.272 CCCC(=O)COC(C)CC(C)C 7a_100000211805_100000747444 [0,3,0,0,0,0|0,0,1]=4 31159 B12R0.272 CCCC(C)CNC(C)CC(C)C 2230a_100000692259_100011216630 [0,3,0,0,0,0|1,0,0]=4 31160 B12R0.272 CCCC(C)CNC(C)CC(C)C 270004a_100000692259_100000243154 [0,3,0,0,0,0|1,0,0]=4 31161 B12R0.272 CCCC(C)COC(C)CC(C)C 34a_100000211805_100011216630 [0,3,0,0,0,0|0,0,0]=3 31162 B12R0.272 CCCC(C)COC(C)CC(C)C 34a_100000688023_100000731052 [0,3,0,0,0,0|0,0,0]=3 31163 B12R0.272 CCCC(C)COC(C)CC(C)C 7a_100000211805_100011216630 [0,3,0,0,0,0|0,0,0]=3 31164 B12R0.272 CCCC(C)COC(C)CC(C)C 7a_100000688023_100000731052 [0,3,0,0,0,0|0,0,0]=3 31165 B12R0.272 CCCC(C)CSC(C)CC(C)C 62a_100000731052_100011216630 [0,3,0,0,0,0|0,1,0]=4 31166 B12R0.272 CCCC(C)CSC(C)CC(C)C 62a_100011216630_100000731052 [0,3,0,0,0,0|0,1,0]=4 31167 B12R0.272 CCCC(C)OCC(C)CN(C)C 7a_100000764384_100015348159 [0,3,0,0,0,0|1,0,0]=4 31168 B12R0.272 CCCC(C)OC[C@@H](N)CC(C)C 34a_100011830311_100000766640 [0,3,0,0,0,0|0,0,0]=3 31169 B12R0.272 CCC[C@H](N)COC(C)CC(C)C 34a_100000732646_100000731052 [0,3,0,0,0,0|0,0,0]=3 31170 B12R0.272 COCC(C)OC[C@@H](N)CC(C)C 34a_100011830311_100000765312 [0,3,0,0,0,0|1,0,0]=4 31171 B12R0.272 COCC(N)COC(C)CC(C)C 34a_100000724102_100000731052 [0,3,0,0,0,0|1,0,0]=4 31172 B12R0.272 COCC(O)COC(C)CC(C)C 34a_100000211805_100011215053 [0,3,0,0,0,0|1,0,0]=4 31173 B12R0.272 COCC(O)COC(C)CC(C)C 7a_100000211805_100011215053 [0,3,0,0,0,0|1,0,0]=4 31174 B12R0.598 CCCCCNC(C)(C)CC(C)C 2230a_100011346068_100000210326 [0,3,0,0,0,0|1,0,0]=4 31175 B12R0.598 CCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210326 [0,3,0,0,0,0|0,0,1]=4 31176 B12R0.1 C#CCC(C)OCCOCCCC 34a_100000685586_100000743108 [0,3,0,0,0,0|0,0,1]=4 31177 B12R0.1 C#CCC(C)OCCOCCCC 7a_100000685586_100000743108 [0,3,0,0,0,0|0,0,1]=4 31178 B12R0.1 C#CCCCCCNC(C)CCC 2230a_100000741246_100012094781 [0,3,0,0,0,0|1,0,0]=4 31179 B12R0.1 C#CCCCCCOC(C)CCBr 34a_100012276601_100012094781 [0,3,0,0,0,0|1,0,0]=4 31180 B12R0.1 C#CCCCCCOC(C)CCC 34a_100000764384_100012094781 [0,3,0,0,0,0|0,0,0]=3 31181 B12R0.1 C#CCCCCCOC(C)CCC 34a_100000766912_100000766640 [0,3,0,0,0,0|0,0,0]=3 31182 B12R0.1 C#CCCCCCOC(C)CCC 7a_100000764384_100012094781 [0,3,0,0,0,0|0,0,0]=3 31183 B12R0.1 C#CCCCCCOC(C)CCC 7a_100000766912_100000766640 [0,3,0,0,0,0|0,0,0]=3 31184 B12R0.1 C#CCCCCCOC(C)CCO 34a_100000766912_100009893172 [0,3,0,0,0,0|1,0,0]=4 31185 B12R0.1 C#CCCCCCOC(C)CCO 7a_100000766912_100009893172 [0,3,0,0,0,0|1,0,0]=4 31186 B12R0.1 C#CCCCCCOC(C)COC 34a_100000766912_100000765312 [0,3,0,0,0,0|1,0,0]=4 31187 B12R0.1 C#CCCCCCOC(C)COC 7a_100000766912_100000765312 [0,3,0,0,0,0|1,0,0]=4 31188 B12R0.1 C#CCCCCCO[C@H](C)COC 34a_100011934205_100012094781 [0,3,0,0,0,0|1,0,0]=4 31189 B12R0.1 C#CCCCCCSC(C)CCC 62a_100000766640_100012094781 [0,3,0,0,0,0|0,1,0]=4 31190 B12R0.1 C#CCCCCCSC(C)CCC 62a_100012094781_100000766640 [0,3,0,0,0,0|0,1,0]=4 31191 B12R0.1 C#CCCCCNCC(C)CCC 2230a_100000706060_100011216630 [0,3,0,0,0,0|1,0,0]=4 31192 B12R0.1 C#CCCCCNCC(C)CCC 34a_100000706060_100011216630 [0,3,0,0,0,0|1,0,0]=4 31193 B12R0.1 C#CCCCCOCC(=O)CCC 7a_100000766709_100000747444 [0,3,0,0,0,0|0,0,1]=4 31194 B12R0.1 C#CCCCCOCC(C)CCC 34a_100000688023_100010269958 [0,3,0,0,0,0|0,0,0]=3 31195 B12R0.1 C#CCCCCOCC(C)CCC 34a_100000766709_100011216630 [0,3,0,0,0,0|0,0,0]=3 31196 B12R0.1 C#CCCCCOCC(C)CCC 7a_100000688023_100010269958 [0,3,0,0,0,0|0,0,0]=3 31197 B12R0.1 C#CCCCCOCC(C)CCC 7a_100000766709_100011216630 [0,3,0,0,0,0|0,0,0]=3 31198 B12R0.1 C#CCCCCOCC(C)CCN 34a_106354213184_100010269958 [0,3,0,0,0,0|0,0,1]=4 31199 B12R0.1 C#CCCCCOCC(N)COC 34a_100000724102_100010269958 [0,3,0,0,0,0|0,0,1]=4 31200 B12R0.1 C#CCCCCOCC(O)COC 34a_100000766709_100011215053 [0,3,0,0,0,0|0,0,1]=4 31201 B12R0.1 C#CCCCCOCC(O)COC 7a_100000766709_100011215053 [0,3,0,0,0,0|0,0,1]=4 31202 B12R0.1 C#CCCCCOC[C@@H](N)CCC 34a_100000732646_100010269958 [0,3,0,0,0,0|0,0,0]=3 31203 B12R0.1 C#CCCCCSCC(C)CCC 62a_100010269958_100011216630 [0,3,0,0,0,0|0,1,0]=4 31204 B12R0.1 C#CCCCCSCC(C)CCC 62a_100011216630_100010269958 [0,3,0,0,0,0|0,1,0]=4 31205 B12R0.1 C#CCCCOCCC(C)CCC 34a_100011217855_100000695029 [0,3,0,0,0,0|0,0,1]=4 31206 B12R0.1 C#CCCCOCCC(C)CCC 7a_100011217855_100011215417 [0,3,0,0,0,0|0,0,1]=4 31207 B12R0.1 C#CCCCOCC[C@@H](N)CCC 34a_100015193777_100000695029 [0,3,0,0,0,0|0,0,1]=4 31208 B12R0.1 C#CCOCCOCC(C)CCC 34a_100000054580_100011216630 [0,3,0,0,0,0|0,0,1]=4 31209 B12R0.1 C#CCOCCOCC(C)CCC 34a_100000688023_100010402529 [0,3,0,0,0,0|0,0,1]=4 31210 B12R0.1 C#CCOCCOCC(C)CCC 7a_100000054580_100011216630 [0,3,0,0,0,0|0,0,1]=4 31211 B12R0.1 C#CCOCCOCC(C)CCC 7a_100000688023_100010402529 [0,3,0,0,0,0|0,0,1]=4 31212 B12R0.1 C#CCOCCOC[C@@H](N)CCC 34a_100000732646_100010402529 [0,3,0,0,0,0|0,0,1]=4 31213 B12R0.1 C/C=C/C(C)OCCOCCCC 34a_200102604097_100000743108 [0,3,0,0,0,0|0,0,1]=4 31214 B12R0.1 C=CCC(C)COCCCCCC 34a_100009832082_100000210314 [0,3,0,0,0,0|0,0,1]=4 31215 B12R0.1 C=CCC(C)COCCCCCC 7a_100009832082_100000210314 [0,3,0,0,0,0|0,0,1]=4 31216 B12R0.1 C=CCC(C)COCCCCCF 34a_100009832082_100000729378 [0,3,0,0,0,0|0,0,1]=4 31217 B12R0.1 C=CCC(C)COCCCCCF 7a_100009832082_100000729378 [0,3,0,0,0,0|0,0,1]=4 31218 B12R0.1 C=CCC(C)COCCCCCO 34a_100009832082_100000746330 [0,3,0,0,0,0|0,0,1]=4 31219 B12R0.1 C=CCC(C)COCCCCCO 7a_100009832082_100000746330 [0,3,0,0,0,0|0,0,1]=4 31220 B12R0.1 C=CCC(C)COCCCCOC 34a_100009832082_100000755781 [0,3,0,0,0,0|0,0,1]=4 31221 B12R0.1 C=CCC(C)COCCCCOC 7a_100009832082_100000730899 [0,3,0,0,0,0|0,0,1]=4 31222 B12R0.1 C=CCC(C)COCCCOCC 34a_100009832082_100012232248 [0,3,0,0,0,0|0,0,1]=4 31223 B12R0.1 C=CCC(C)COCCCOCC 7a_100009832082_100012232248 [0,3,0,0,0,0|0,0,1]=4 31224 B12R0.1 C=CCC(C)COCCOCCC 34a_100009832082_100011215938 [0,3,0,0,0,0|0,0,1]=4 31225 B12R0.1 C=CCC(C)COCCOCCC 7a_100009832082_100011215938 [0,3,0,0,0,0|0,0,1]=4 31226 B12R0.1 C=CCC(C)COCOCCCC 34a_100009832082_100011995733 [0,3,0,0,0,0|0,0,1]=4 31227 B12R0.1 C=CCCCCCNC(C)CCC 2230a_100000741246_100000700193 [0,3,0,0,0,0|1,0,0]=4 31228 B12R0.1 C=CCCCCCOC(C)CCBr 34a_100012276601_100000700193 [0,3,0,0,0,0|1,0,0]=4 31229 B12R0.1 C=CCCCCCOC(C)CCC 34a_100000764384_100000700193 [0,3,0,0,0,0|0,0,0]=3 31230 B12R0.1 C=CCCCCCOC(C)CCC 34a_100011216702_100000766640 [0,3,0,0,0,0|0,0,0]=3 31231 B12R0.1 C=CCCCCCOC(C)CCC 7a_100000764384_100000700193 [0,3,0,0,0,0|0,0,0]=3 31232 B12R0.1 C=CCCCCCOC(C)CCC 7a_100011216702_100000766640 [0,3,0,0,0,0|0,0,0]=3 31233 B12R0.1 C=CCCCCCOC(C)CCO 34a_100011216702_100009893172 [0,3,0,0,0,0|1,0,0]=4 31234 B12R0.1 C=CCCCCCOC(C)CCO 7a_100011216702_100009893172 [0,3,0,0,0,0|1,0,0]=4 31235 B12R0.1 C=CCCCCCOC(C)COC 34a_100011216702_100000765312 [0,3,0,0,0,0|1,0,0]=4 31236 B12R0.1 C=CCCCCCOC(C)COC 7a_100011216702_100000765312 [0,3,0,0,0,0|1,0,0]=4 31237 B12R0.1 C=CCCCCCO[C@H](C)COC 34a_100011934205_100000700193 [0,3,0,0,0,0|1,0,0]=4 31238 B12R0.1 C=CCCCCCSC(C)CCC 62a_100000700193_100000766640 [0,3,0,0,0,0|0,1,0]=4 31239 B12R0.1 C=CCCCCCSC(C)CCC 62a_100000766640_100000700193 [0,3,0,0,0,0|0,1,0]=4 31240 B12R0.1 C=CCCCCNCC(C)CCC 2230a_100000703577_100011216630 [0,3,0,0,0,0|1,0,0]=4 31241 B12R0.1 C=CCCCCNCC(C)CCC 270004a_100000703577_100000243154 [0,3,0,0,0,0|1,0,0]=4 31242 B12R0.1 C=CCCCCNCC(C)CCC 34a_100000703577_100011216630 [0,3,0,0,0,0|1,0,0]=4 31243 B12R0.1 C=CCCCCOCC(=O)CCC 7a_100000766645_100000747444 [0,3,0,0,0,0|0,0,1]=4 31244 B12R0.1 C=CCCCCOCC(C)CCC 34a_100000688023_100011215482 [0,3,0,0,0,0|0,0,0]=3 31245 B12R0.1 C=CCCCCOCC(C)CCC 34a_100000766645_100011216630 [0,3,0,0,0,0|0,0,0]=3 31246 B12R0.1 C=CCCCCOCC(C)CCC 7a_100000688023_100011215482 [0,3,0,0,0,0|0,0,0]=3 31247 B12R0.1 C=CCCCCOCC(C)CCC 7a_100000766645_100011216630 [0,3,0,0,0,0|0,0,0]=3 31248 B12R0.1 C=CCCCCOCC(C)CCN 34a_106354213184_100011215482 [0,3,0,0,0,0|0,0,1]=4 31249 B12R0.1 C=CCCCCOCC(N)COC 34a_100000724102_100011215482 [0,3,0,0,0,0|0,0,1]=4 31250 B12R0.1 C=CCCCCOCC(O)COC 34a_100000766645_100011215053 [0,3,0,0,0,0|0,0,1]=4 31251 B12R0.1 C=CCCCCOCC(O)COC 7a_100000766645_100011215053 [0,3,0,0,0,0|0,0,1]=4 31252 B12R0.1 C=CCCCCOC[C@@H](N)CCC 34a_100000732646_100011215482 [0,3,0,0,0,0|0,0,0]=3 31253 B12R0.1 C=CCCCCSCC(C)CCC 62a_100011215482_100011216630 [0,3,0,0,0,0|0,1,0]=4 31254 B12R0.1 C=CCCCCSCC(C)CCC 62a_100011216630_100011215482 [0,3,0,0,0,0|0,1,0]=4 31255 B12R0.1 C=CCCCOCCC(C)CCC 34a_100011217855_100000757094 [0,3,0,0,0,0|0,0,1]=4 31256 B12R0.1 C=CCCCOCCC(C)CCC 7a_100011217855_100000757094 [0,3,0,0,0,0|0,0,1]=4 31257 B12R0.1 C=CCCCOCC[C@@H](N)CCC 34a_100015193777_100000757094 [0,3,0,0,0,0|0,0,1]=4 31258 B12R0.1 C=CCOCCOCC(C)CCC 34a_100000037705_100011216630 [0,3,0,0,0,0|0,0,1]=4 31259 B12R0.1 C=CCOCCOCC(C)CCC 7a_100000037705_100011216630 [0,3,0,0,0,0|0,0,1]=4 31260 B12R0.1 C=CC[C@@H](C)OCCOCCCC 34a_100000731007_100000743108 [0,3,0,0,0,0|0,0,1]=4 31261 B12R0.1 C=CC[C@@H](C)OCCOCCCC 7a_100000731007_100000743108 [0,3,0,0,0,0|0,0,1]=4 31262 B12R0.1 C=CC[C@@H](N)COCCCCCC 34a_100020615467_100000210314 [0,3,0,0,0,0|0,0,1]=4 31263 B12R0.1 C=CC[C@@H](N)COCCCCCF 34a_100020615467_100000729378 [0,3,0,0,0,0|0,0,1]=4 31264 B12R0.1 C=CC[C@@H](N)COCCCCCO 34a_100020615467_100000746330 [0,3,0,0,0,0|0,0,1]=4 31265 B12R0.1 C=CC[C@@H](N)COCCCCOC 34a_100020615467_100000755781 [0,3,0,0,0,0|0,0,1]=4 31266 B12R0.1 C=CC[C@@H](N)COCCCOCC 34a_100020615467_100012232248 [0,3,0,0,0,0|0,0,1]=4 31267 B12R0.1 C=CC[C@@H](N)COCCOCCC 34a_100020615467_100011215938 [0,3,0,0,0,0|0,0,1]=4 31268 B12R0.1 C=CC[C@@H](N)COCOCCCC 34a_100020615467_100011995733 [0,3,0,0,0,0|0,0,1]=4 31269 B12R0.1 C=COCCCCOC(C)CCC 34a_100000031558_100000766640 [0,3,0,0,0,0|0,0,1]=4 31270 B12R0.1 C=COCCCCOC(C)CCC 7a_100000031558_100000766640 [0,3,0,0,0,0|0,0,1]=4 31271 B12R0.1 CC#CC(C)OCCOCCCC 34a_100011216543_100000743108 [0,3,0,0,0,0|0,0,1]=4 31272 B12R0.1 CC(CCBr)OCCCCCCF 34a_100012276601_100015922095 [0,3,0,0,0,0|1,0,0]=4 31273 B12R0.1 CC(CCBr)OCCCCCCO 34a_100012276601_100000766143 [0,3,0,0,0,0|1,0,0]=4 31274 B12R0.1 CC(CCN)COCCCCCF 34a_106354213184_100000729378 [0,3,0,0,0,0|0,0,0]=3 31275 B12R0.1 CC(CCN)COCCCCCO 34a_106354213184_100000746330 [0,3,0,0,0,0|0,0,0]=3 31276 B12R0.1 CC(CCN)COCCOCCO 34a_106354213184_100000692535 [0,3,0,0,0,0|1,0,0]=4 31277 B12R0.1 CC(CCO)OCCCCCCBr 34a_100011215345_100009893172 [0,3,0,0,0,0|1,0,0]=4 31278 B12R0.1 CC(CCO)OCCCCCCBr 7a_100011215345_100009893172 [0,3,0,0,0,0|1,0,0]=4 31279 B12R0.1 CC(CCO)OCCCCCCCl 34a_100000766143_100009893172 [0,3,0,0,0,0|1,0,0]=4 31280 B12R0.1 CC(CCO)OCCCCCCCl 7a_100000766143_100009893172 [0,3,0,0,0,0|1,0,0]=4 31281 B12R0.1 CC(CCO)OCCCCCCF 34a_100000732779_100009893172 [0,3,0,0,0,0|1,0,0]=4 31282 B12R0.1 CC(CCO)OCCCCCCF 7a_100000732779_100009893172 [0,3,0,0,0,0|1,0,0]=4 31283 B12R0.1 CC(CCO)OCCCCCCN 34a_100000686447_100009893172 [0,3,0,0,0,0|1,0,0]=4 31284 B12R0.1 CC/C=C/CCCOC(C)CCC 34a_100016287902_100000766640 [0,3,0,0,0,0|0,0,0]=3 31285 B12R0.1 CC/C=C/CCCOC(C)CCC 7a_100016287902_100000766640 [0,3,0,0,0,0|0,0,0]=3 31286 B12R0.1 CC/C=C/CCCOC(C)CCO 34a_100016287902_100009893172 [0,3,0,0,0,0|1,0,0]=4 31287 B12R0.1 CC/C=C/CCCOC(C)CCO 7a_100016287902_100009893172 [0,3,0,0,0,0|1,0,0]=4 31288 B12R0.1 CC/C=C/CCCOC(C)COC 34a_100016287902_100000765312 [0,3,0,0,0,0|1,0,0]=4 31289 B12R0.1 CC/C=C/CCCOC(C)COC 7a_100016287902_100000765312 [0,3,0,0,0,0|1,0,0]=4 31290 B12R0.1 CC/C=C\CCOCC(=O)CCC 7a_100016288707_100000747444 [0,3,0,0,0,0|0,0,1]=4 31291 B12R0.1 CC/C=C\CCOCC(C)CCC 34a_100000688023_100015370543 [0,3,0,0,0,0|0,0,0]=3 31292 B12R0.1 CC/C=C\CCOCC(C)CCC 34a_100016288707_100011216630 [0,3,0,0,0,0|0,0,0]=3 31293 B12R0.1 CC/C=C\CCOCC(C)CCC 7a_100000688023_100015370543 [0,3,0,0,0,0|0,0,0]=3 31294 B12R0.1 CC/C=C\CCOCC(C)CCC 7a_100016288707_100011216630 [0,3,0,0,0,0|0,0,0]=3 31295 B12R0.1 CC/C=C\CCOCC(C)CCN 34a_106354213184_100015370543 [0,3,0,0,0,0|0,0,1]=4 31296 B12R0.1 CC/C=C\CCOCC(N)COC 34a_100000724102_100015370543 [0,3,0,0,0,0|0,0,1]=4 31297 B12R0.1 CC/C=C\CCOCC(O)COC 34a_100016288707_100011215053 [0,3,0,0,0,0|0,0,1]=4 31298 B12R0.1 CC/C=C\CCOCC(O)COC 7a_100016288707_100011215053 [0,3,0,0,0,0|0,0,1]=4 31299 B12R0.1 CC/C=C\CCOC[C@@H](N)CCC 34a_100000732646_100015370543 [0,3,0,0,0,0|0,0,0]=3 31300 B12R0.1 CC/C=C\CCSCC(C)CCC 62a_100011216630_100015370543 [0,3,0,0,0,0|0,1,0]=4 31301 B12R0.1 CC/C=C\CCSCC(C)CCC 62a_100015370543_100011216630 [0,3,0,0,0,0|0,1,0]=4 31302 B12R0.1 CC/C=C\COCCC(C)CCC 34a_100011217855_100103147603 [0,3,0,0,0,0|0,0,1]=4 31303 B12R0.1 CC/C=C\COCCC(C)CCC 7a_100011217855_100103147603 [0,3,0,0,0,0|0,0,1]=4 31304 B12R0.1 CC/C=C\COCC[C@@H](N)CCC 34a_100015193777_100103147603 [0,3,0,0,0,0|0,0,1]=4 31305 B12R0.1 CC=C=CCCOCC(C)CCC 34a_100011020354_100011216630 [0,3,0,0,0,0|0,0,1]=4 31306 B12R0.1 CC=CCCCOCC(C)CCC 34a_100020645299_100011216630 [0,3,0,0,0,0|0,0,0]=3 31307 B12R0.1 CC=CCCCOCC(O)COC 34a_100020645299_100011215053 [0,3,0,0,0,0|0,0,1]=4 31308 B12R0.1 CCC#CCCOCC(=O)CCC 7a_100000036655_100000747444 [0,3,0,0,0,0|0,0,1]=4 31309 B12R0.1 CCC#CCCOCC(C)CCC 34a_100000036655_100011216630 [0,3,0,0,0,0|0,0,0]=3 31310 B12R0.1 CCC#CCCOCC(C)CCC 7a_100000036655_100011216630 [0,3,0,0,0,0|0,0,0]=3 31311 B12R0.1 CCC#CCCOCC(O)COC 34a_100000036655_100011215053 [0,3,0,0,0,0|0,0,1]=4 31312 B12R0.1 CCC#CCCOCC(O)COC 7a_100000036655_100011215053 [0,3,0,0,0,0|0,0,1]=4 31313 B12R0.1 CCC#CCOCCC(C)CCC 34a_100011217855_100009813939 [0,3,0,0,0,0|0,0,1]=4 31314 B12R0.1 CCC#CCOCCC(C)CCC 7a_100011217855_100009813939 [0,3,0,0,0,0|0,0,1]=4 31315 B12R0.1 CCC#CCOCC[C@@H](N)CCC 34a_100015193777_100009813939 [0,3,0,0,0,0|0,0,1]=4 31316 B12R0.1 CCC/C=C/COCC(=O)CCC 7a_100016278788_100000747444 [0,3,0,0,0,0|0,0,1]=4 31317 B12R0.1 CCC/C=C/COCC(C)CCC 34a_100016278788_100011216630 [0,3,0,0,0,0|0,0,0]=3 31318 B12R0.1 CCC/C=C/COCC(C)CCC 7a_100016278788_100011216630 [0,3,0,0,0,0|0,0,0]=3 31319 B12R0.1 CCC/C=C/COCC(O)COC 34a_100016278788_100011215053 [0,3,0,0,0,0|0,0,1]=4 31320 B12R0.1 CCC/C=C/COCC(O)COC 7a_100016278788_100011215053 [0,3,0,0,0,0|0,0,1]=4 31321 B12R0.1 CCCC#CCCOC(C)CCC 34a_100000042726_100000766640 [0,3,0,0,0,0|0,0,0]=3 31322 B12R0.1 CCCC#CCCOC(C)CCC 7a_100000042726_100000766640 [0,3,0,0,0,0|0,0,0]=3 31323 B12R0.1 CCCC#CCCOC(C)CCO 34a_100000042726_100009893172 [0,3,0,0,0,0|1,0,0]=4 31324 B12R0.1 CCCC#CCCOC(C)CCO 7a_100000042726_100009893172 [0,3,0,0,0,0|1,0,0]=4 31325 B12R0.1 CCCC#CCCOC(C)COC 34a_100000042726_100000765312 [0,3,0,0,0,0|1,0,0]=4 31326 B12R0.1 CCCC#CCCOC(C)COC 7a_100000042726_100000765312 [0,3,0,0,0,0|1,0,0]=4 31327 B12R0.1 CCCC#CCOCC(=O)CCC 7a_100000034806_100000747444 [0,3,0,0,0,0|0,0,1]=4 31328 B12R0.1 CCCC#CCOCC(C)CCC 34a_100000034806_100011216630 [0,3,0,0,0,0|0,0,0]=3 31329 B12R0.1 CCCC#CCOCC(C)CCC 7a_100000034806_100011216630 [0,3,0,0,0,0|0,0,0]=3 31330 B12R0.1 CCCC#CCOCC(O)COC 34a_100000034806_100011215053 [0,3,0,0,0,0|0,0,1]=4 31331 B12R0.1 CCCC#CCOCC(O)COC 7a_100000034806_100011215053 [0,3,0,0,0,0|0,0,1]=4 31332 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,3,0,0,0,0|1,0,0]=4 31333 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,3,0,0,0,0|1,0,0]=4 31334 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,3,0,0,0,0|1,0,0]=4 31335 B12R0.1 CCCC(=O)CCCOCCOC 1458a_100000211992_100011216529 [0,3,0,0,0,0|1,0,0]=4 31336 B12R0.1 CCCC(=O)CCOCCOCC 1458a_100000211992_100011211534 [0,3,0,0,0,0|0,0,0]=3 31337 B12R0.1 CCCC(=O)CNCCCCCO 2230a_100000762737_100000747444 [0,3,0,0,0,0|1,0,0]=4 31338 B12R0.1 CCCC(=O)CNCCCOCC 2230a_100000210961_100000747444 [0,3,0,0,0,0|1,0,0]=4 31339 B12R0.1 CCCC(=O)COCCCCCBr 7a_100000746331_100000747444 [0,3,0,0,0,0|0,0,0]=3 31340 B12R0.1 CCCC(=O)COCCCCCCl 7a_100000746330_100000747444 [0,3,0,0,0,0|0,0,0]=3 31341 B12R0.1 CCCC(=O)COCCCCCI 7a_200012148887_100000747444 [0,3,0,0,0,0|0,0,0]=3 31342 B12R0.1 CCCC(=O)COCCCCSC 7a_100011217163_100000747444 [0,3,0,0,0,0|0,0,0]=3 31343 B12R0.1 CCCC(=O)COCCCOCC 7a_100000757476_100000747444 [0,3,0,0,0,0|0,0,0]=3 31344 B12R0.1 CCCC(=O)COCCCSCC 7a_100011216438_100000747444 [0,3,0,0,0,0|0,0,0]=3 31345 B12R0.1 CCCC(=O)COCCOCCBr 7a_100000692535_100000747444 [0,3,0,0,0,0|0,0,1]=4 31346 B12R0.1 CCCC(=O)COCCOCCCl 7a_100011215305_100000747444 [0,3,0,0,0,0|0,0,1]=4 31347 B12R0.1 CCCC(=O)COCCOCCF 7a_200015357709_100000747444 [0,3,0,0,0,0|0,0,1]=4 31348 B12R0.1 CCCC(=O)COCCOCCI 7a_100012149058_100000747444 [0,3,0,0,0,0|0,0,1]=4 31349 B12R0.1 CCCC(=O)COCCOCCO 1458a_106645077154_100000210303 [0,3,0,0,0,0|0,0,1]=4 31350 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000729378_100000747444 [0,3,0,0,0,0|0,1,0]=4 31351 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000747444_100000729378 [0,3,0,0,0,0|0,1,0]=4 31352 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000746330_100000747444 [0,3,0,0,0,0|0,1,0]=4 31353 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000747444_100000746330 [0,3,0,0,0,0|0,1,0]=4 31354 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000730899_100000747444 [0,3,0,0,0,0|0,1,0]=4 31355 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000747444_100000730899 [0,3,0,0,0,0|0,1,0]=4 31356 B12R0.1 CCCC(=O)CSCCCOCC 62a_100000747444_100012232248 [0,3,0,0,0,0|0,1,0]=4 31357 B12R0.1 CCCC(=O)CSCCCOCC 62a_100012232248_100000747444 [0,3,0,0,0,0|0,1,0]=4 31358 B12R0.1 CCCC(=O)CSCOCCOC 62a_100000231047_100000747444 [0,3,0,0,0,0|1,0,0]=4 31359 B12R0.1 CCCC(=O)CSCOCCOC 62a_100000747444_100000231047 [0,3,0,0,0,0|1,0,0]=4 31360 B12R0.1 CCCC(=O)NCCOCCOC 11a_100000745349_100000211992 [0,3,0,0,0,0|1,0,0]=4 31361 B12R0.1 CCCC(=O)NCCOCCOC 1626a_100000745349_100000211992 [0,3,0,0,0,0|1,0,0]=4 31362 B12R0.1 CCCC(=O)NCCOCCOC 240690a_100000745349_100000211992 [0,3,0,0,0,0|1,0,0]=4 31363 B12R0.1 CCCC(=O)NCCOCCOC 527a_100000745349_100000211992 [0,3,0,0,0,0|1,0,0]=4 31364 B12R0.1 CCCC(=O)OCNCCCCO 2230a_100000750430_100000034017 [0,3,0,0,0,0|0,0,1]=4 31365 B12R0.1 CCCC(=O)OCNCCCCO 34a_100000750430_100000034017 [0,3,0,0,0,0|0,0,1]=4 31366 B12R0.1 CCCC(=O)OCNCCCOC 34a_100150723488_100000034017 [0,3,0,0,0,0|0,0,1]=4 31367 B12R0.1 CCCC(=O)OCNCCCSC 2230a_100000749238_100000034017 [0,3,0,0,0,0|0,0,1]=4 31368 B12R0.1 CCCC(=O)OCNCCOCC 2230a_102516460346_100000034017 [0,3,0,0,0,0|0,0,1]=4 31369 B12R0.1 CCCC(=O)OCNCCOCC 34a_102516460346_100000034017 [0,3,0,0,0,0|0,0,1]=4 31370 B12R0.1 CCCC(=O)OCNCCSCC 2230a_100000106463_100000034017 [0,3,0,0,0,0|0,0,1]=4 31371 B12R0.1 CCCC(=O)OCOCCCCBr 34a_100011216708_100000034017 [0,3,0,0,0,0|0,0,1]=4 31372 B12R0.1 CCCC(=O)OCOCCCCCl 34a_100000210776_100000034017 [0,3,0,0,0,0|0,0,1]=4 31373 B12R0.1 CCCC(=O)OCOCCCCF 34a_100011995726_100000034017 [0,3,0,0,0,0|0,0,1]=4 31374 B12R0.1 CCCC(=O)OCOCCCCI 34a_200012148704_100000034017 [0,3,0,0,0,0|0,0,1]=4 31375 B12R0.1 CCCC(=O)OCOCCCCN 34a_100000750430_100000034017 [0,3,0,0,0,0|0,0,1]=4 31376 B12R0.1 CCCC(=O)OCOCCCNC 34a_100000213112_100000034017 [0,3,0,0,0,0|0,0,1]=4 31377 B12R0.1 CCCC(=O)OCOCCCOC 34a_100000740835_100000034017 [0,3,0,0,0,0|0,0,1]=4 31378 B12R0.1 CCCC(=O)OCOCCCSC 34a_100000690336_100000034017 [0,3,0,0,0,0|0,0,1]=4 31379 B12R0.1 CCCC(=O)OCOCCOCC 34a_100000210136_100000034017 [0,3,0,0,0,0|0,0,1]=4 31380 B12R0.1 CCCC(=O)OCOCCSCC 34a_100000212035_100000034017 [0,3,0,0,0,0|0,0,1]=4 31381 B12R0.1 CCCC(=O)OCSCCCCF 62a_100000729493_100000034017 [0,3,0,0,0,0|0,0,1]=4 31382 B12R0.1 CCCC(=O)OCSCCCCO 62a_100000210776_100000034017 [0,3,0,0,0,0|0,0,1]=4 31383 B12R0.1 CCCC(=O)OCSCCCOC 62a_100000709357_100000034017 [0,3,0,0,0,0|0,0,1]=4 31384 B12R0.1 CCCC(=O)OCSCCOCC 62a_100000210147_100000034017 [0,3,0,0,0,0|0,0,1]=4 31385 B12R0.1 CCCC(=O)OCSCCSCC 62a_100000757381_100000034017 [0,3,0,0,0,0|0,0,1]=4 31386 B12R0.1 CCCC(C)CCCOCCCF 34a_100011713154_100011934791 [0,3,0,0,0,0|1,0,0]=4 31387 B12R0.1 CCCC(C)CCCOCCCF 7a_100011713154_100011934791 [0,3,0,0,0,0|1,0,0]=4 31388 B12R0.1 CCCC(C)CCCOCCCO 34a_100011713154_100000230001 [0,3,0,0,0,0|1,0,0]=4 31389 B12R0.1 CCCC(C)CCCOCCCO 7a_100011713154_100011215043 [0,3,0,0,0,0|1,0,0]=4 31390 B12R0.1 CCCC(C)CCCOCCOC 34a_100011713154_100011201679 [0,3,0,0,0,0|1,0,0]=4 31391 B12R0.1 CCCC(C)CCCOCCOC 7a_100011713154_100000233755 [0,3,0,0,0,0|1,0,0]=4 31392 B12R0.1 CCCC(C)CCCOCCSC 34a_100011713154_100000212216 [0,3,0,0,0,0|1,0,0]=4 31393 B12R0.1 CCCC(C)CCCOCCSC 7a_100011713154_100000212216 [0,3,0,0,0,0|1,0,0]=4 31394 B12R0.1 CCCC(C)CCOCCCC#N 7a_100011217855_100000687738 [0,3,0,0,0,0|0,0,1]=4 31395 B12R0.1 CCCC(C)CCOCCCC=O 7a_100011217855_200011292268 [0,3,0,0,0,0|0,0,1]=4 31396 B12R0.1 CCCC(C)CCOCCCCF 34a_100011217855_100000729493 [0,3,0,0,0,0|0,0,0]=3 31397 B12R0.1 CCCC(C)CCOCCCCF 7a_100011217855_100000729493 [0,3,0,0,0,0|0,0,0]=3 31398 B12R0.1 CCCC(C)CCOCCCCO 34a_100011217855_100011216708 [0,3,0,0,0,0|0,0,0]=3 31399 B12R0.1 CCCC(C)CCOCCCCO 7a_100011217855_100000210776 [0,3,0,0,0,0|0,0,0]=3 31400 B12R0.1 CCCC(C)CCOCCCOC 34a_100011217855_100000740836 [0,3,0,0,0,0|0,0,0]=3 31401 B12R0.1 CCCC(C)CCOCCCOC 7a_100011217855_100000740836 [0,3,0,0,0,0|0,0,0]=3 31402 B12R0.1 CCCC(C)CCOCCOCC 34a_100011217855_100000210147 [0,3,0,0,0,0|0,0,0]=3 31403 B12R0.1 CCCC(C)CCOCCOCC 7a_100011217855_100011215890 [0,3,0,0,0,0|0,0,0]=3 31404 B12R0.1 CCCC(C)CCOCCSCC 34a_100011217855_100000757381 [0,3,0,0,0,0|0,0,0]=3 31405 B12R0.1 CCCC(C)CCOCCSCC 7a_100011217855_100000757381 [0,3,0,0,0,0|0,0,0]=3 31406 B12R0.1 CCCC(C)CNCCCCC#N 270004a_100000751965_100000243154 [0,3,0,0,0,0|1,0,0]=4 31407 B12R0.1 CCCC(C)CNCCCCCO 2230a_100000762737_100011216630 [0,3,0,0,0,0|1,0,0]=4 31408 B12R0.1 CCCC(C)CNCCCCCO 270004a_100000762737_100000243154 [0,3,0,0,0,0|1,0,0]=4 31409 B12R0.1 CCCC(C)CNCCCCCO 34a_100000762737_100011216630 [0,3,0,0,0,0|1,0,0]=4 31410 B12R0.1 CCCC(C)CNCCCOCC 2230a_100000210961_100011216630 [0,3,0,0,0,0|1,0,0]=4 31411 B12R0.1 CCCC(C)CNCCCOCC 270004a_100000210961_100000243154 [0,3,0,0,0,0|1,0,0]=4 31412 B12R0.1 CCCC(C)CNCCCOCC 34a_100000210961_100011216630 [0,3,0,0,0,0|1,0,0]=4 31413 B12R0.1 CCCC(C)CNCCOCCO 2230a_100000211614_100011216630 [0,3,0,0,0,0|1,0,0]=4 31414 B12R0.1 CCCC(C)CNCCOCCO 270004a_100000211614_100000243154 [0,3,0,0,0,0|1,0,0]=4 31415 B12R0.1 CCCC(C)CNCCOCCO 34a_100000211614_100011216630 [0,3,0,0,0,0|1,0,0]=4 31416 B12R0.1 CCCC(C)CNCCSCCO 2230a_100011219999_100011216630 [0,3,0,0,0,0|1,0,0]=4 31417 B12R0.1 CCCC(C)CNCCSCCO 270004a_100011219999_100000243154 [0,3,0,0,0,0|1,0,0]=4 31418 B12R0.1 CCCC(C)COCCCCC#N 7a_100000688023_100000211819 [0,3,0,0,0,0|0,0,0]=3 31419 B12R0.1 CCCC(C)COCCCCC=O 7a_100000688023_100000139335 [0,3,0,0,0,0|0,0,0]=3 31420 B12R0.1 CCCC(C)COCCCCCBr 34a_100000746331_100011216630 [0,3,0,0,0,0|0,0,0]=3 31421 B12R0.1 CCCC(C)COCCCCCBr 7a_100000746331_100011216630 [0,3,0,0,0,0|0,0,0]=3 31422 B12R0.1 CCCC(C)COCCCCCCl 34a_100000746330_100011216630 [0,3,0,0,0,0|0,0,0]=3 31423 B12R0.1 CCCC(C)COCCCCCCl 7a_100000746330_100011216630 [0,3,0,0,0,0|0,0,0]=3 31424 B12R0.1 CCCC(C)COCCCCCF 34a_100000688023_100000729378 [0,3,0,0,0,0|0,0,0]=3 31425 B12R0.1 CCCC(C)COCCCCCF 7a_100000688023_100000729378 [0,3,0,0,0,0|0,0,0]=3 31426 B12R0.1 CCCC(C)COCCCCCI 34a_200012148887_100011216630 [0,3,0,0,0,0|0,0,0]=3 31427 B12R0.1 CCCC(C)COCCCCCI 7a_200012148887_100011216630 [0,3,0,0,0,0|0,0,0]=3 31428 B12R0.1 CCCC(C)COCCCCCN 34a_100000762737_100011216630 [0,3,0,0,0,0|0,0,0]=3 31429 B12R0.1 CCCC(C)COCCCCCO 34a_100000688023_100000746330 [0,3,0,0,0,0|0,0,0]=3 31430 B12R0.1 CCCC(C)COCCCCCO 7a_100000688023_100000746330 [0,3,0,0,0,0|0,0,0]=3 31431 B12R0.1 CCCC(C)COCCCCOC 34a_100000688023_100000755781 [0,3,0,0,0,0|0,0,0]=3 31432 B12R0.1 CCCC(C)COCCCCOC 34a_100000740925_100011216630 [0,3,0,0,0,0|0,0,0]=3 31433 B12R0.1 CCCC(C)COCCCCOC 7a_100000688023_100000730899 [0,3,0,0,0,0|0,0,0]=3 31434 B12R0.1 CCCC(C)COCCCCSC 34a_100011217163_100011216630 [0,3,0,0,0,0|0,0,0]=3 31435 B12R0.1 CCCC(C)COCCCCSC 7a_100011217163_100011216630 [0,3,0,0,0,0|0,0,0]=3 31436 B12R0.1 CCCC(C)COCCCOCC 34a_100000688023_100012232248 [0,3,0,0,0,0|0,0,0]=3 31437 B12R0.1 CCCC(C)COCCCOCC 34a_100000757476_100011216630 [0,3,0,0,0,0|0,0,0]=3 31438 B12R0.1 CCCC(C)COCCCOCC 7a_100000688023_100012232248 [0,3,0,0,0,0|0,0,0]=3 31439 B12R0.1 CCCC(C)COCCCOCC 7a_100000757476_100011216630 [0,3,0,0,0,0|0,0,0]=3 31440 B12R0.1 CCCC(C)COCCCSCC 34a_100011216438_100011216630 [0,3,0,0,0,0|0,0,0]=3 31441 B12R0.1 CCCC(C)COCCCSCC 7a_100011216438_100011216630 [0,3,0,0,0,0|0,0,0]=3 31442 B12R0.1 CCCC(C)COCCOCC#N 7a_100000688023_200000047693 [0,3,0,0,0,0|0,0,1]=4 31443 B12R0.1 CCCC(C)COCCOCCBr 34a_100000692535_100011216630 [0,3,0,0,0,0|0,0,0]=3 31444 B12R0.1 CCCC(C)COCCOCCBr 7a_100000692535_100011216630 [0,3,0,0,0,0|0,0,0]=3 31445 B12R0.1 CCCC(C)COCCOCCCl 34a_100011215305_100011216630 [0,3,0,0,0,0|0,0,0]=3 31446 B12R0.1 CCCC(C)COCCOCCCl 7a_100011215305_100011216630 [0,3,0,0,0,0|0,0,0]=3 31447 B12R0.1 CCCC(C)COCCOCCF 34a_200015357709_100011216630 [0,3,0,0,0,0|0,0,0]=3 31448 B12R0.1 CCCC(C)COCCOCCF 7a_200015357709_100011216630 [0,3,0,0,0,0|0,0,0]=3 31449 B12R0.1 CCCC(C)COCCOCCI 34a_100012149058_100011216630 [0,3,0,0,0,0|0,0,0]=3 31450 B12R0.1 CCCC(C)COCCOCCI 7a_100012149058_100011216630 [0,3,0,0,0,0|0,0,0]=3 31451 B12R0.1 CCCC(C)COCCOCCN 34a_100000211614_100011216630 [0,3,0,0,0,0|0,0,0]=3 31452 B12R0.1 CCCC(C)COCCOCCO 34a_100000688023_100000692535 [0,3,0,0,0,0|0,0,0]=3 31453 B12R0.1 CCCC(C)COCCOCCO 7a_100000688023_100011215305 [0,3,0,0,0,0|0,0,0]=3 31454 B12R0.1 CCCC(C)CSCCCCC#N 62a_100011216630_100000211819 [0,3,0,0,0,0|0,1,0]=4 31455 B12R0.1 CCCC(C)CSCCCCC#N 62a_100011219923_100011216630 [0,3,0,0,0,0|0,1,0]=4 31456 B12R0.1 CCCC(C)CSCCCCC=O 62a_100000139335_100011216630 [0,3,0,0,0,0|0,1,0]=4 31457 B12R0.1 CCCC(C)CSCCCCC=O 62a_100011216630_100000139335 [0,3,0,0,0,0|0,1,0]=4 31458 B12R0.1 CCCC(C)CSCCCCCF 62a_100000729378_100011216630 [0,3,0,0,0,0|0,1,0]=4 31459 B12R0.1 CCCC(C)CSCCCCCF 62a_100011216630_100000729378 [0,3,0,0,0,0|0,1,0]=4 31460 B12R0.1 CCCC(C)CSCCCCCO 62a_100000746330_100011216630 [0,3,0,0,0,0|0,1,0]=4 31461 B12R0.1 CCCC(C)CSCCCCCO 62a_100011216630_100000746330 [0,3,0,0,0,0|0,1,0]=4 31462 B12R0.1 CCCC(C)CSCCCCOC 62a_100000730899_100011216630 [0,3,0,0,0,0|0,1,0]=4 31463 B12R0.1 CCCC(C)CSCCCCOC 62a_100011216630_100000730899 [0,3,0,0,0,0|0,1,0]=4 31464 B12R0.1 CCCC(C)CSCCCOCC 62a_100011216630_100012232248 [0,3,0,0,0,0|0,1,0]=4 31465 B12R0.1 CCCC(C)CSCCCOCC 62a_100012232248_100011216630 [0,3,0,0,0,0|0,1,0]=4 31466 B12R0.1 CCCC(C)CSCCOCCO 62a_100011215305_100011216630 [0,3,0,0,0,0|0,1,0]=4 31467 B12R0.1 CCCC(C)CSCCOCCO 62a_100011216630_100011215305 [0,3,0,0,0,0|0,1,0]=4 31468 B12R0.1 CCCC(C)CSCOCCOC 62a_100000231047_100011216630 [0,3,0,0,0,0|0,1,0]=4 31469 B12R0.1 CCCC(C)CSCOCCOC 62a_100011216630_100000231047 [0,3,0,0,0,0|0,1,0]=4 31470 B12R0.1 CCCC(C)NCCCCCC#N 2230a_100000741246_100009813376 [0,3,0,0,0,0|1,0,0]=4 31471 B12R0.1 CCCC(C)NCCCCCC#N 270004a_100000061152_100000211909 [0,3,0,0,0,0|1,0,0]=4 31472 B12R0.1 CCCC(C)NCCCCCC=O 2230a_100000741246_100000139337 [0,3,0,0,0,0|1,0,0]=4 31473 B12R0.1 CCCC(C)NCCCCCCF 2230a_100000741246_100015922095 [0,3,0,0,0,0|1,0,0]=4 31474 B12R0.1 CCCC(C)NCCCCCCO 2230a_100000686447_100000766640 [0,3,0,0,0,0|1,0,0]=4 31475 B12R0.1 CCCC(C)NCCCCCCO 2230a_100000741246_100000766143 [0,3,0,0,0,0|1,0,0]=4 31476 B12R0.1 CCCC(C)NCCCCCCO 270004a_100000686447_100000211909 [0,3,0,0,0,0|1,0,0]=4 31477 B12R0.1 CCCC(C)NCCCCCCO 34a_100000686447_100000766640 [0,3,0,0,0,0|1,0,0]=4 31478 B12R0.1 CCCC(C)NCCCCCOC 2230a_100000747528_100000766640 [0,3,0,0,0,0|1,0,0]=4 31479 B12R0.1 CCCC(C)NCCCCCOC 270004a_100000747528_100000211909 [0,3,0,0,0,0|1,0,0]=4 31480 B12R0.1 CCCC(C)NCCCCCOC 34a_100000747528_100000766640 [0,3,0,0,0,0|1,0,0]=4 31481 B12R0.1 CCCC(C)NCCOCCOC 2230a_100000741246_100000695917 [0,3,0,0,0,0|1,0,0]=4 31482 B12R0.1 CCCC(C)NCCOCCOC 2230a_100000745349_100000766640 [0,3,0,0,0,0|1,0,0]=4 31483 B12R0.1 CCCC(C)NCCOCCOC 270004a_100000745349_100000211909 [0,3,0,0,0,0|1,0,0]=4 31484 B12R0.1 CCCC(C)NCCOCCOC 34a_100000745349_100000766640 [0,3,0,0,0,0|1,0,0]=4 31485 B12R0.1 CCCC(C)OCCCCCC#N 7a_100000764384_100009813376 [0,3,0,0,0,0|0,0,0]=3 31486 B12R0.1 CCCC(C)OCCCCCC=O 7a_100000764384_100000139337 [0,3,0,0,0,0|0,0,0]=3 31487 B12R0.1 CCCC(C)OCCCCCCBr 34a_100011215345_100000766640 [0,3,0,0,0,0|0,0,0]=3 31488 B12R0.1 CCCC(C)OCCCCCCBr 7a_100011215345_100000766640 [0,3,0,0,0,0|0,0,0]=3 31489 B12R0.1 CCCC(C)OCCCCCCCl 34a_100000766143_100000766640 [0,3,0,0,0,0|0,0,0]=3 31490 B12R0.1 CCCC(C)OCCCCCCCl 7a_100000766143_100000766640 [0,3,0,0,0,0|0,0,0]=3 31491 B12R0.1 CCCC(C)OCCCCCCF 34a_100000732779_100000766640 [0,3,0,0,0,0|0,0,0]=3 31492 B12R0.1 CCCC(C)OCCCCCCF 34a_100000764384_100015922095 [0,3,0,0,0,0|0,0,0]=3 31493 B12R0.1 CCCC(C)OCCCCCCF 7a_100000732779_100000766640 [0,3,0,0,0,0|0,0,0]=3 31494 B12R0.1 CCCC(C)OCCCCCCF 7a_100000764384_100015922095 [0,3,0,0,0,0|0,0,0]=3 31495 B12R0.1 CCCC(C)OCCCCCCN 34a_100000686447_100000766640 [0,3,0,0,0,0|0,0,0]=3 31496 B12R0.1 CCCC(C)OCCCCCCO 34a_100000764384_100000766143 [0,3,0,0,0,0|0,0,0]=3 31497 B12R0.1 CCCC(C)OCCCCCCO 7a_100000764384_100000766143 [0,3,0,0,0,0|0,0,0]=3 31498 B12R0.1 CCCC(C)OCCCCCNC 34a_100000722520_100000766640 [0,3,0,0,0,0|0,0,0]=3 31499 B12R0.1 CCCC(C)OCCOCCNC 34a_100000228057_100000766640 [0,3,0,0,0,0|0,0,0]=3 31500 B12R0.1 CCCC(C)OCCOCCOC 34a_100000764384_100000695917 [0,3,0,0,0,0|0,0,0]=3 31501 B12R0.1 CCCC(C)OCCOCCOC 34a_100011215163_100000766640 [0,3,0,0,0,0|0,0,0]=3 31502 B12R0.1 CCCC(C)OCCOCCOC 7a_100000764384_100000695917 [0,3,0,0,0,0|0,0,0]=3 31503 B12R0.1 CCCC(C)OCCOCCOC 7a_100011215163_100000766640 [0,3,0,0,0,0|0,0,0]=3 31504 B12R0.1 CCCC(C)SCCCCCC#N 62a_100000766640_100009813376 [0,3,0,0,0,0|0,1,0]=4 31505 B12R0.1 CCCC(C)SCCCCCC#N 62a_100009813376_100000766640 [0,3,0,0,0,0|0,1,0]=4 31506 B12R0.1 CCCC(C)SCCCCCC=O 62a_100000139337_100000766640 [0,3,0,0,0,0|0,1,0]=4 31507 B12R0.1 CCCC(C)SCCCCCC=O 62a_100000766640_100000139337 [0,3,0,0,0,0|0,1,0]=4 31508 B12R0.1 CCCC(C)SCCCCCCF 62a_100000766640_100015922095 [0,3,0,0,0,0|0,1,0]=4 31509 B12R0.1 CCCC(C)SCCCCCCF 62a_100015922095_100000766640 [0,3,0,0,0,0|0,1,0]=4 31510 B12R0.1 CCCC(C)SCCCCCCO 62a_100000766143_100000766640 [0,3,0,0,0,0|0,1,0]=4 31511 B12R0.1 CCCC(C)SCCCCCCO 62a_100000766640_100000766143 [0,3,0,0,0,0|0,1,0]=4 31512 B12R0.1 CCCC(C)SCCOCCOC 62a_100000695917_100000766640 [0,3,0,0,0,0|0,1,0]=4 31513 B12R0.1 CCCC(C)SCCOCCOC 62a_100000766640_100000695917 [0,3,0,0,0,0|0,1,0]=4 31514 B12R0.1 CCCC/C=C/COC(C)CCC 34a_200016272032_100000766640 [0,3,0,0,0,0|0,0,0]=3 31515 B12R0.1 CCCC/C=C/COC(C)CCC 7a_200016272032_100000766640 [0,3,0,0,0,0|0,0,0]=3 31516 B12R0.1 CCCC/C=C/COC(C)CCO 34a_200016272032_100009893172 [0,3,0,0,0,0|1,0,0]=4 31517 B12R0.1 CCCC/C=C/COC(C)CCO 7a_200016272032_100009893172 [0,3,0,0,0,0|1,0,0]=4 31518 B12R0.1 CCCC/C=C/COC(C)COC 34a_200016272032_100000765312 [0,3,0,0,0,0|1,0,0]=4 31519 B12R0.1 CCCC/C=C/COC(C)COC 7a_200016272032_100000765312 [0,3,0,0,0,0|1,0,0]=4 31520 B12R0.1 CCCCC#CCOC(C)CCC 34a_200000034558_100000766640 [0,3,0,0,0,0|0,0,0]=3 31521 B12R0.1 CCCCC#CCOC(C)CCC 7a_200000034558_100000766640 [0,3,0,0,0,0|0,0,0]=3 31522 B12R0.1 CCCCC#CCOC(C)CCO 34a_200000034558_100009893172 [0,3,0,0,0,0|1,0,0]=4 31523 B12R0.1 CCCCC#CCOC(C)CCO 7a_200000034558_100009893172 [0,3,0,0,0,0|1,0,0]=4 31524 B12R0.1 CCCCC#CCOC(C)COC 34a_200000034558_100000765312 [0,3,0,0,0,0|1,0,0]=4 31525 B12R0.1 CCCCC#CCOC(C)COC 7a_200000034558_100000765312 [0,3,0,0,0,0|1,0,0]=4 31526 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [0,3,0,0,0,0|1,0,0]=4 31527 B12R0.1 CCCCCC#CCC(=O)CCC 1458a_100000211992_100009816472 [0,3,0,0,0,0|1,0,0]=4 31528 B12R0.1 CCCCCC#CCN(C)CCC 2230a_100000747261_100009816472 [0,3,0,0,0,0|1,0,0]=4 31529 B12R0.1 CCCCCC#CCN(C)CCC 269982a_100000747261_100009816472 [0,3,0,0,0,0|1,0,0]=4 31530 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,3,0,0,0,0|1,0,0]=4 31531 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,3,0,0,0,0|1,0,0]=4 31532 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,3,0,0,0,0|1,0,0]=4 31533 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,3,0,0,0,0|1,0,0]=4 31534 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,3,0,0,0,0|1,0,0]=4 31535 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,3,0,0,0,0|1,0,0]=4 31536 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,3,0,0,0,0|1,0,0]=4 31537 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,3,0,0,0,0|1,0,0]=4 31538 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,3,0,0,0,0|1,0,0]=4 31539 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,3,0,0,0,0|1,0,0]=4 31540 B12R0.1 CCCCCCCCC(C)CNC 270004a_106832991635_100011995885 [0,3,0,0,0,0|1,0,0]=4 31541 B12R0.1 CCCCCCCCC(C)COC 34a_200012125181_200000210301 [0,3,0,0,0,0|1,0,0]=4 31542 B12R0.1 CCCCCCCCC(C)COC 7a_200012125181_200000210301 [0,3,0,0,0,0|1,0,0]=4 31543 B12R0.1 CCCCCCCCC(C)CO[13CH3] 34a_200012125181_200025704644 [0,3,0,0,0,0|1,0,0]=4 31544 B12R0.1 CCCCCCCCC(C)CO[13CH3] 7a_200012125181_200025704644 [0,3,0,0,0,0|1,0,0]=4 31545 B12R0.1 CCCCCCCCC(C)NCC 270004a_100015525214_100011216694 [0,3,0,0,0,0|1,0,0]=4 31546 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [0,3,0,0,0,0|1,0,0]=4 31547 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [0,3,0,0,0,0|1,0,0]=4 31548 B12R0.1 CCCCCCCCC(C)OCF 34a_100000210740_100015361967 [0,3,0,0,0,0|1,0,0]=4 31549 B12R0.1 CCCCCCCCC(C)OCF 7a_100000210740_100015361967 [0,3,0,0,0,0|1,0,0]=4 31550 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000207567_100000210303 [0,3,0,0,0,0|1,0,0]=4 31551 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000747261_100000210759 [0,3,0,0,0,0|1,0,0]=4 31552 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000207567_100000210303 [0,3,0,0,0,0|1,0,0]=4 31553 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000747261_100000210759 [0,3,0,0,0,0|1,0,0]=4 31554 B12R0.1 CCCCCCCCN(C)CCF 2230a_100000207567_100011217306 [0,3,0,0,0,0|1,0,0]=4 31555 B12R0.1 CCCCCCCCN(C)CCF 269982a_100000207567_100011217306 [0,3,0,0,0,0|1,0,0]=4 31556 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000207567_100000211926 [0,3,0,0,0,0|1,0,0]=4 31557 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000210263_100000210759 [0,3,0,0,0,0|1,0,0]=4 31558 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000207567_100000211926 [0,3,0,0,0,0|1,0,0]=4 31559 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000210263_100000210759 [0,3,0,0,0,0|1,0,0]=4 31560 B12R0.1 CCCCCCCCN(C)COC 2230a_100000207567_100000766300 [0,3,0,0,0,0|1,0,0]=4 31561 B12R0.1 CCCCCCCCN(C)COC 269982a_100000207567_100000766300 [0,3,0,0,0,0|1,0,0]=4 31562 B12R0.1 CCCCCCCCN(C)CSC 2230a_100000207567_100011218213 [0,3,0,0,0,0|1,0,0]=4 31563 B12R0.1 CCCCCCCCN(C)CSC 269982a_100000207567_100011218213 [0,3,0,0,0,0|1,0,0]=4 31564 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,3,0,0,0,0|1,0,0]=4 31565 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,3,0,0,0,0|1,0,0]=4 31566 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,3,0,0,0,0|1,0,0]=4 31567 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,3,0,0,0,0|1,0,0]=4 31568 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000229938_100000766640 [0,3,0,0,0,0|1,0,0]=4 31569 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000741246_100000210681 [0,3,0,0,0,0|1,0,0]=4 31570 B12R0.1 CCCCCCCNC(C)CCC 270004a_100000229938_100000211909 [0,3,0,0,0,0|1,0,0]=4 31571 B12R0.1 CCCCCCCNC(C)CCO 2230a_100000229938_100009893172 [0,3,0,0,0,0|1,0,0]=4 31572 B12R0.1 CCCCCCCNC(C)COC 2230a_100000229938_100000765312 [0,3,0,0,0,0|1,0,0]=4 31573 B12R0.1 CCCCCCCNC(C)COC 270004a_100000229938_100000749346 [0,3,0,0,0,0|1,0,0]=4 31574 B12R0.1 CCCCCCCNC(C)CSC 270004a_100000229938_100011216314 [0,3,0,0,0,0|1,0,0]=4 31575 B12R0.1 CCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210681 [0,3,0,0,0,0|1,0,0]=4 31576 B12R0.1 CCCCCCCN[C@H](C)CCO 34a_100000706166_100000210614 [0,3,0,0,0,0|1,0,0]=4 31577 B12R0.1 CCCCCCCN[C@H](C)COC 2230a_100000764878_100000210681 [0,3,0,0,0,0|1,0,0]=4 31578 B12R0.1 CCCCCCCOC(C)CCBr 34a_100012276601_100000210614 [0,3,0,0,0,0|1,0,0]=4 31579 B12R0.1 CCCCCCCOC(C)CCC 34a_100000210272_100000766640 [0,3,0,0,0,0|0,0,0]=3 31580 B12R0.1 CCCCCCCOC(C)CCC 34a_100000764384_100000210614 [0,3,0,0,0,0|0,0,0]=3 31581 B12R0.1 CCCCCCCOC(C)CCC 7a_100000210272_100000766640 [0,3,0,0,0,0|0,0,0]=3 31582 B12R0.1 CCCCCCCOC(C)CCC 7a_100000764384_100000210614 [0,3,0,0,0,0|0,0,0]=3 31583 B12R0.1 CCCCCCCOC(C)CCO 34a_100000210272_100009893172 [0,3,0,0,0,0|1,0,0]=4 31584 B12R0.1 CCCCCCCOC(C)CCO 7a_100000210272_100009893172 [0,3,0,0,0,0|1,0,0]=4 31585 B12R0.1 CCCCCCCOC(C)COC 34a_100000210272_100000765312 [0,3,0,0,0,0|1,0,0]=4 31586 B12R0.1 CCCCCCCOC(C)COC 7a_100000210272_100000765312 [0,3,0,0,0,0|1,0,0]=4 31587 B12R0.1 CCCCCCCO[C@H](C)COC 34a_100011934205_100000210614 [0,3,0,0,0,0|1,0,0]=4 31588 B12R0.1 CCCCCCCSC(C)CCC 62a_100000210614_100000766640 [0,3,0,0,0,0|0,1,0]=4 31589 B12R0.1 CCCCCCCSC(C)CCC 62a_100000766640_100000210316 [0,3,0,0,0,0|0,1,0]=4 31590 B12R0.1 CCCCCCCSC(C)CCO 62a_100000210614_100009893172 [0,3,0,0,0,0|1,0,0]=4 31591 B12R0.1 CCCCCCCSC(C)CCO 62a_100009893172_100000210316 [0,3,0,0,0,0|1,0,0]=4 31592 B12R0.1 CCCCCCCSC(C)COC 62a_100000210614_100000765312 [0,3,0,0,0,0|1,0,0]=4 31593 B12R0.1 CCCCCCCSC(C)COC 62a_100000765312_100000210316 [0,3,0,0,0,0|1,0,0]=4 31594 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,3,0,0,0,0|1,0,0]=4 31595 B12R0.1 CCCCCCNCC(C)CCC 2230a_100000210581_100011216630 [0,3,0,0,0,0|1,0,0]=4 31596 B12R0.1 CCCCCCNCC(C)CCC 270004a_100000210581_100000243154 [0,3,0,0,0,0|1,0,0]=4 31597 B12R0.1 CCCCCCNCC(O)COC 2230a_100000756049_100000210314 [0,3,0,0,0,0|1,0,0]=4 31598 B12R0.1 CCCCCCNCC(O)COC 34a_100000756049_100000210314 [0,3,0,0,0,0|1,0,0]=4 31599 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,3,0,0,0,0|0,0,0]=3 31600 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,3,0,0,0,0|0,0,1]=4 31601 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,3,0,0,0,0|0,0,1]=4 31602 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,3,0,0,0,0|0,0,1]=4 31603 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,3,0,0,0,0|0,0,1]=4 31604 B12R0.1 CCCCCCOCC(C)CCC 34a_100000210259_100011216630 [0,3,0,0,0,0|0,0,0]=3 31605 B12R0.1 CCCCCCOCC(C)CCC 34a_100000688023_100000210314 [0,3,0,0,0,0|0,0,0]=3 31606 B12R0.1 CCCCCCOCC(C)CCC 7a_100000210259_100011216630 [0,3,0,0,0,0|0,0,0]=3 31607 B12R0.1 CCCCCCOCC(C)CCC 7a_100000688023_100000210314 [0,3,0,0,0,0|0,0,0]=3 31608 B12R0.1 CCCCCCOCC(C)CCN 34a_106354213184_100000210314 [0,3,0,0,0,0|0,0,0]=3 31609 B12R0.1 CCCCCCOCC(N)COC 34a_100000724102_100000210314 [0,3,0,0,0,0|0,0,0]=3 31610 B12R0.1 CCCCCCOCC(O)COC 34a_100000210259_100011215053 [0,3,0,0,0,0|0,0,0]=3 31611 B12R0.1 CCCCCCOCC(O)COC 7a_100000210259_100011215053 [0,3,0,0,0,0|0,0,0]=3 31612 B12R0.1 CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210314 [0,3,0,0,0,0|0,0,0]=3 31613 B12R0.1 CCCCCCOC[C@@H](O)CC#N 7a_100000210259_100000001066 [0,3,0,0,0,0|0,0,1]=4 31614 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,3,0,0,0,0|0,1,0]=4 31615 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,3,0,0,0,0|0,1,0]=4 31616 B12R0.1 CCCCCCSCC(C)CCC 62a_100000210314_100011216630 [0,3,0,0,0,0|0,1,0]=4 31617 B12R0.1 CCCCCCSCC(C)CCC 62a_100011216630_100000210757 [0,3,0,0,0,0|0,1,0]=4 31618 B12R0.1 CCCCCCSCC(O)COC 62a_100000210314_100011215053 [0,3,0,0,0,0|0,1,0]=4 31619 B12R0.1 CCCCCCSCC(O)COC 62a_100011215053_100000210757 [0,3,0,0,0,0|0,1,0]=4 31620 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [0,3,0,0,0,0|1,0,0]=4 31621 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [0,3,0,0,0,0|1,0,0]=4 31622 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [0,3,0,0,0,0|1,0,0]=4 31623 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [0,3,0,0,0,0|0,0,1]=4 31624 B12R0.1 CCCCCNN=CC(C)CCC 4a_100000694160_100000243154 [0,3,0,0,0,0|1,0,0]=4 31625 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [0,3,0,0,0,0|0,0,0]=3 31626 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [0,3,0,0,0,0|0,0,0]=3 31627 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [0,3,0,0,0,0|0,0,0]=3 31628 B12R0.1 CCCCCOCCC(C)CCC 34a_100011217855_100000718602 [0,3,0,0,0,0|0,0,0]=3 31629 B12R0.1 CCCCCOCCC(C)CCC 7a_100011217855_100000210326 [0,3,0,0,0,0|0,0,0]=3 31630 B12R0.1 CCCCCOCC[C@@H](N)CCC 34a_100015193777_100000718602 [0,3,0,0,0,0|0,0,0]=3 31631 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [0,3,0,0,0,0|0,0,0]=3 31632 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [0,3,0,0,0,0|0,1,0]=4 31633 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [0,3,0,0,0,0|0,1,0]=4 31634 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [0,3,0,0,0,0|0,1,0]=4 31635 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [0,3,0,0,0,0|0,1,0]=4 31636 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [0,3,0,0,0,0|0,0,1]=4 31637 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [0,3,0,0,0,0|1,0,0]=4 31638 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [0,3,0,0,0,0|1,0,0]=4 31639 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [0,3,0,0,0,0|0,0,0]=3 31640 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [0,3,0,0,0,0|0,0,0]=3 31641 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [0,3,0,0,0,0|0,0,0]=3 31642 B12R0.1 CCCCOCCCC(C)CCC 34a_100011713154_100000210210 [0,3,0,0,0,0|0,0,0]=3 31643 B12R0.1 CCCCOCCCC(C)CCC 7a_100011713154_100000210211 [0,3,0,0,0,0|0,0,0]=3 31644 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [0,3,0,0,0,0|0,0,1]=4 31645 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [0,3,0,0,0,0|0,0,1]=4 31646 B12R0.1 CCCCOCCNC(C)CCC 2230a_100000741246_100000743108 [0,3,0,0,0,0|0,0,0]=3 31647 B12R0.1 CCCCOCCN[C@@H](C)CC#N 2230a_100016994482_100000743108 [0,3,0,0,0,0|0,0,1]=4 31648 B12R0.1 CCCCOCCN[C@H](C)CCO 2230a_100000706166_100000743108 [0,3,0,0,0,0|0,0,0]=3 31649 B12R0.1 CCCCOCCN[C@H](C)CCO 34a_100000706166_100000743108 [0,3,0,0,0,0|0,0,0]=3 31650 B12R0.1 CCCCOCCN[C@H](C)COC 2230a_100000764878_100000743108 [0,3,0,0,0,0|0,0,0]=3 31651 B12R0.1 CCCCOCCOC(C)CC#N 7a_100000210238_100009813641 [0,3,0,0,0,0|0,0,1]=4 31652 B12R0.1 CCCCOCCOC(C)CCBr 34a_100012276601_100000743108 [0,3,0,0,0,0|0,0,0]=3 31653 B12R0.1 CCCCOCCOC(C)CCC 34a_100000210238_100000766640 [0,3,0,0,0,0|0,0,0]=3 31654 B12R0.1 CCCCOCCOC(C)CCC 34a_100000764384_100000743108 [0,3,0,0,0,0|0,0,0]=3 31655 B12R0.1 CCCCOCCOC(C)CCC 7a_100000210238_100000766640 [0,3,0,0,0,0|0,0,0]=3 31656 B12R0.1 CCCCOCCOC(C)CCC 7a_100000764384_100000743108 [0,3,0,0,0,0|0,0,0]=3 31657 B12R0.1 CCCCOCCOC(C)CCO 34a_100000210238_100009893172 [0,3,0,0,0,0|0,0,0]=3 31658 B12R0.1 CCCCOCCOC(C)CCO 7a_100000210238_100009893172 [0,3,0,0,0,0|0,0,0]=3 31659 B12R0.1 CCCCOCCOC(C)COC 34a_100000210238_100000765312 [0,3,0,0,0,0|0,0,0]=3 31660 B12R0.1 CCCCOCCOC(C)COC 7a_100000210238_100000765312 [0,3,0,0,0,0|0,0,0]=3 31661 B12R0.1 CCCCOCCO[C@H](C)COC 34a_100011934205_100000743108 [0,3,0,0,0,0|0,0,0]=3 31662 B12R0.1 CCCCOCCSC(C)CC#N 62a_100000743108_100009813641 [0,3,0,0,0,0|0,0,1]=4 31663 B12R0.1 CCCCOCCSC(C)CC#N 62a_100009813641_100000743108 [0,3,0,0,0,0|0,0,1]=4 31664 B12R0.1 CCCCOCCSC(C)CCC 62a_100000743108_100000766640 [0,3,0,0,0,0|0,0,0]=3 31665 B12R0.1 CCCCOCCSC(C)CCC 62a_100000766640_100000743108 [0,3,0,0,0,0|0,0,0]=3 31666 B12R0.1 CCCCOCCSC(C)CCO 62a_100000743108_100009893172 [0,3,0,0,0,0|0,0,0]=3 31667 B12R0.1 CCCCOCCSC(C)CCO 62a_100009893172_100000743108 [0,3,0,0,0,0|0,0,0]=3 31668 B12R0.1 CCCCOCCSC(C)COC 62a_100000743108_100000765312 [0,3,0,0,0,0|0,0,0]=3 31669 B12R0.1 CCCCOCCSC(C)COC 62a_100000765312_100000743108 [0,3,0,0,0,0|0,0,0]=3 31670 B12R0.1 CCCCOCNCC(=O)NCC 2230a_100016988866_100011995733 [0,3,0,0,0,0|0,0,1]=4 31671 B12R0.1 CCCCOCNCC(O)COC 2230a_100000756049_100011995733 [0,3,0,0,0,0|0,0,0]=3 31672 B12R0.1 CCCCOCNCC(O)COC 34a_100000756049_100011995733 [0,3,0,0,0,0|0,0,0]=3 31673 B12R0.1 CCCCOCOCC(C)CCC 34a_100000688023_100011995733 [0,3,0,0,0,0|0,0,0]=3 31674 B12R0.1 CCCCOCOCC(C)CCN 34a_106354213184_100011995733 [0,3,0,0,0,0|0,0,0]=3 31675 B12R0.1 CCCCOCOCC(N)COC 34a_100000724102_100011995733 [0,3,0,0,0,0|0,0,0]=3 31676 B12R0.1 CCCCOCOC[C@@H](N)CCC 34a_100000732646_100011995733 [0,3,0,0,0,0|0,0,0]=3 31677 B12R0.1 CCCCOCSCC(=O)CCC 62a_100000747444_100011995733 [0,3,0,0,0,0|0,0,0]=3 31678 B12R0.1 CCCCOCSCC(=O)CCC 62a_100011995733_100000747444 [0,3,0,0,0,0|0,0,0]=3 31679 B12R0.1 CCCCOCSCC(=O)NCC 62a_100000183381_100011995733 [0,3,0,0,0,0|0,0,1]=4 31680 B12R0.1 CCCCOCSCC(=O)NCC 62a_100011995733_100000183381 [0,3,0,0,0,0|0,0,1]=4 31681 B12R0.1 CCCCOCSCC(=O)OCC 62a_100000188475_100011995733 [0,3,0,0,0,0|0,0,1]=4 31682 B12R0.1 CCCCOCSCC(=O)OCC 62a_100011995733_100000188475 [0,3,0,0,0,0|0,0,1]=4 31683 B12R0.1 CCCCOCSCC(C)CCC 62a_100011216630_100011995733 [0,3,0,0,0,0|0,0,0]=3 31684 B12R0.1 CCCCOCSCC(C)CCC 62a_100011995733_100011216630 [0,3,0,0,0,0|0,0,0]=3 31685 B12R0.1 CCCCOCSCC(O)COC 62a_100011215053_100011995733 [0,3,0,0,0,0|0,0,0]=3 31686 B12R0.1 CCCCOCSCC(O)COC 62a_100011995733_100011215053 [0,3,0,0,0,0|0,0,0]=3 31687 B12R0.1 CCCCOCSC[C@@H](O)CC#N 62a_100000001066_100011995733 [0,3,0,0,0,0|0,0,1]=4 31688 B12R0.1 CCCCOCSC[C@@H](O)CC#N 62a_100011995733_100000001066 [0,3,0,0,0,0|0,0,1]=4 31689 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [0,3,0,0,0,0|0,1,0]=4 31690 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [0,3,0,0,0,0|0,1,0]=4 31691 B12R0.1 CCCCSCCNC(=O)CCC 11a_100025743550_100000211992 [0,3,0,0,0,0|0,1,0]=4 31692 B12R0.1 CCCCSCCNC(=O)CCC 1626a_100025743550_100000211992 [0,3,0,0,0,0|0,1,0]=4 31693 B12R0.1 CCCCSCCNC(=O)CCC 240690a_100025743550_100000211992 [0,3,0,0,0,0|0,1,0]=4 31694 B12R0.1 CCCCSCCNC(=O)CCC 527a_100025743550_100000211992 [0,3,0,0,0,0|0,1,0]=4 31695 B12R0.1 CCCCSCCNC(C)CCC 2230a_100025743550_100000766640 [0,3,0,0,0,0|0,1,0]=4 31696 B12R0.1 CCCCSCCNC(C)CCC 270004a_100025743550_100000211909 [0,3,0,0,0,0|0,1,0]=4 31697 B12R0.1 CCCCSCCNC(C)CCO 2230a_100025743550_100009893172 [0,3,0,0,0,0|0,1,0]=4 31698 B12R0.1 CCCCSCCNC(C)COC 2230a_100025743550_100000765312 [0,3,0,0,0,0|0,1,0]=4 31699 B12R0.1 CCCCSCCNC(C)COC 270004a_100025743550_100000749346 [0,3,0,0,0,0|0,1,0]=4 31700 B12R0.1 CCCCSCCNC(C)CSC 270004a_100025743550_100011216314 [0,3,0,0,0,0|0,1,0]=4 31701 B12R0.1 CCCCSCCOC(C)CCC 34a_200000230436_100000766640 [0,3,0,0,0,0|0,0,0]=3 31702 B12R0.1 CCCCSCCOC(C)CCC 7a_200000230436_100000766640 [0,3,0,0,0,0|0,0,0]=3 31703 B12R0.1 CCCCSCCOC(C)CCO 34a_200000230436_100009893172 [0,3,0,0,0,0|0,1,0]=4 31704 B12R0.1 CCCCSCCOC(C)CCO 7a_200000230436_100009893172 [0,3,0,0,0,0|0,1,0]=4 31705 B12R0.1 CCCCSCCOC(C)COC 34a_200000230436_100000765312 [0,3,0,0,0,0|0,1,0]=4 31706 B12R0.1 CCCCSCCOC(C)COC 7a_200000230436_100000765312 [0,3,0,0,0,0|0,1,0]=4 31707 B12R0.1 CCCN(C)CCCCCCCO 2230a_100000747261_100000760002 [0,3,0,0,0,0|1,0,0]=4 31708 B12R0.1 CCCN(C)CCCCCCCO 269982a_100000747261_100000760002 [0,3,0,0,0,0|1,0,0]=4 31709 B12R0.1 CCCN(C)CCCCCCOC 2230a_100000747261_100011998445 [0,3,0,0,0,0|1,0,0]=4 31710 B12R0.1 CCCN(C)CCCCCCOC 269982a_100000747261_100011998445 [0,3,0,0,0,0|1,0,0]=4 31711 B12R0.1 CCCN(C)CCCOCCOC 2230a_100000747261_100011216529 [0,3,0,0,0,0|1,0,0]=4 31712 B12R0.1 CCCN(C)CCCOCCOC 269982a_100000747261_100011216529 [0,3,0,0,0,0|1,0,0]=4 31713 B12R0.1 CCCN(C)CCOCCOCC 2230a_100000747261_100011211534 [0,3,0,0,0,0|0,0,0]=3 31714 B12R0.1 CCCN(C)CCOCCOCC 269982a_100000747261_100011211534 [0,3,0,0,0,0|0,0,0]=3 31715 B12R0.1 CCCOCCCNC(C)CCC 2230a_100011217757_100000766640 [0,3,0,0,0,0|1,0,0]=4 31716 B12R0.1 CCCOCCCNC(C)CCC 270004a_100011217757_100000211909 [0,3,0,0,0,0|1,0,0]=4 31717 B12R0.1 CCCOCCCNC(C)CCC 34a_100011217757_100000766640 [0,3,0,0,0,0|1,0,0]=4 31718 B12R0.1 CCCOCCNCC(=O)CCC 2230a_100161115042_100000747444 [0,3,0,0,0,0|1,0,0]=4 31719 B12R0.1 CCCOCCNCC(C)CCC 2230a_100161115042_100011216630 [0,3,0,0,0,0|1,0,0]=4 31720 B12R0.1 CCCOCCNCC(C)CCC 270004a_100161115042_100000243154 [0,3,0,0,0,0|1,0,0]=4 31721 B12R0.1 CCCOCCNCC(C)CCC 34a_100161115042_100011216630 [0,3,0,0,0,0|1,0,0]=4 31722 B12R0.1 CCCOCCNCC(O)COC 2230a_100000756049_100011215938 [0,3,0,0,0,0|1,0,0]=4 31723 B12R0.1 CCCOCCNCC(O)COC 34a_100000756049_100011215938 [0,3,0,0,0,0|1,0,0]=4 31724 B12R0.1 CCCOCCNCC(O)COC 34a_100161115042_100011215053 [0,3,0,0,0,0|1,0,0]=4 31725 B12R0.1 CCCOCCOCC(=O)CCC 7a_100000752267_100000747444 [0,3,0,0,0,0|0,0,0]=3 31726 B12R0.1 CCCOCCOCC(=O)NCC 34a_100000752267_100000183381 [0,3,0,0,0,0|0,0,1]=4 31727 B12R0.1 CCCOCCOCC(=O)NCC 7a_100000752267_100000183381 [0,3,0,0,0,0|0,0,1]=4 31728 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [0,3,0,0,0,0|0,0,1]=4 31729 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [0,3,0,0,0,0|0,0,1]=4 31730 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [0,3,0,0,0,0|0,0,1]=4 31731 B12R0.1 CCCOCCOCC(C)CCC 34a_100000688023_100011215938 [0,3,0,0,0,0|0,0,0]=3 31732 B12R0.1 CCCOCCOCC(C)CCC 34a_100000752267_100011216630 [0,3,0,0,0,0|0,0,0]=3 31733 B12R0.1 CCCOCCOCC(C)CCC 7a_100000688023_100011215938 [0,3,0,0,0,0|0,0,0]=3 31734 B12R0.1 CCCOCCOCC(C)CCC 7a_100000752267_100011216630 [0,3,0,0,0,0|0,0,0]=3 31735 B12R0.1 CCCOCCOCC(C)CCN 34a_106354213184_100011215938 [0,3,0,0,0,0|0,0,0]=3 31736 B12R0.1 CCCOCCOCC(N)COC 34a_100000724102_100011215938 [0,3,0,0,0,0|0,0,0]=3 31737 B12R0.1 CCCOCCOCC(O)COC 34a_100000752267_100011215053 [0,3,0,0,0,0|0,0,0]=3 31738 B12R0.1 CCCOCCOCC(O)COC 7a_100000752267_100011215053 [0,3,0,0,0,0|0,0,0]=3 31739 B12R0.1 CCCOCCOC[C@@H](N)CCC 34a_100000732646_100011215938 [0,3,0,0,0,0|0,0,0]=3 31740 B12R0.1 CCCOCCOC[C@@H](O)CC#N 7a_100000752267_100000001066 [0,3,0,0,0,0|0,0,1]=4 31741 B12R0.1 CCCOCCSCC(=O)CCC 62a_100000747444_100011215938 [0,3,0,0,0,0|0,1,0]=4 31742 B12R0.1 CCCOCCSCC(=O)CCC 62a_100011215938_100000747444 [0,3,0,0,0,0|0,1,0]=4 31743 B12R0.1 CCCOCCSCC(C)CCC 62a_100011215938_100011216630 [0,3,0,0,0,0|0,1,0]=4 31744 B12R0.1 CCCOCCSCC(C)CCC 62a_100011216630_100011215938 [0,3,0,0,0,0|0,1,0]=4 31745 B12R0.1 CCCOCCSCC(O)COC 62a_100011215053_100011215938 [0,3,0,0,0,0|0,1,0]=4 31746 B12R0.1 CCCOCCSCC(O)COC 62a_100011215938_100011215053 [0,3,0,0,0,0|0,1,0]=4 31747 B12R0.1 CCCSCCNCC(=O)CCC 2230a_100020603323_100000747444 [0,3,0,0,0,0|1,0,0]=4 31748 B12R0.1 CCCSCCNCC(C)CCC 2230a_100020603323_100011216630 [0,3,0,0,0,0|1,0,0]=4 31749 B12R0.1 CCCSCCNCC(C)CCC 270004a_100020603323_100000243154 [0,3,0,0,0,0|1,0,0]=4 31750 B12R0.1 CCCSCCOCC(=O)CCC 7a_200000230433_100000747444 [0,3,0,0,0,0|0,0,0]=3 31751 B12R0.1 CCCSCCOCC(=O)NCC 34a_200000230433_100000183381 [0,3,0,0,0,0|0,0,1]=4 31752 B12R0.1 CCCSCCOCC(=O)NCC 7a_200000230433_100000183381 [0,3,0,0,0,0|0,0,1]=4 31753 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [0,3,0,0,0,0|0,0,1]=4 31754 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [0,3,0,0,0,0|0,0,1]=4 31755 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [0,3,0,0,0,0|0,0,1]=4 31756 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [0,3,0,0,0,0|0,0,1]=4 31757 B12R0.1 CCCSCCOCC(C)CCC 34a_200000230433_100011216630 [0,3,0,0,0,0|0,0,0]=3 31758 B12R0.1 CCCSCCOCC(C)CCC 7a_200000230433_100011216630 [0,3,0,0,0,0|0,0,0]=3 31759 B12R0.1 CCCSCCOCC(O)COC 34a_200000230433_100011215053 [0,3,0,0,0,0|0,0,0]=3 31760 B12R0.1 CCCSCCOCC(O)COC 7a_200000230433_100011215053 [0,3,0,0,0,0|0,0,0]=3 31761 B12R0.1 CCCSCCOC[C@@H](O)CC#N 7a_200000230433_100000001066 [0,3,0,0,0,0|0,0,1]=4 31762 B12R0.1 CCC[C@H](N)CCOCCCCF 34a_100015193777_100000729493 [0,3,0,0,0,0|0,0,0]=3 31763 B12R0.1 CCC[C@H](N)CCOCCCCO 34a_100015193777_100011216708 [0,3,0,0,0,0|0,0,0]=3 31764 B12R0.1 CCC[C@H](N)CCOCCCOC 34a_100015193777_100000740836 [0,3,0,0,0,0|0,0,0]=3 31765 B12R0.1 CCC[C@H](N)CCOCCOCC 34a_100015193777_100000210147 [0,3,0,0,0,0|0,0,0]=3 31766 B12R0.1 CCC[C@H](N)CCOCCSCC 34a_100015193777_100000757381 [0,3,0,0,0,0|0,0,0]=3 31767 B12R0.1 CCC[C@H](N)COCCCCCF 34a_100000732646_100000729378 [0,3,0,0,0,0|0,0,0]=3 31768 B12R0.1 CCC[C@H](N)COCCCCCO 34a_100000732646_100000746330 [0,3,0,0,0,0|0,0,0]=3 31769 B12R0.1 CCC[C@H](N)COCCCCOC 34a_100000732646_100000755781 [0,3,0,0,0,0|0,0,0]=3 31770 B12R0.1 CCC[C@H](N)COCCCOCC 34a_100000732646_100012232248 [0,3,0,0,0,0|0,0,0]=3 31771 B12R0.1 CCC[C@H](N)COCCOCCO 34a_100000732646_100000692535 [0,3,0,0,0,0|0,0,0]=3 31772 B12R0.1 CCNC(=O)CCOCCCCCl 7a_100000210776_100000737597 [0,3,0,0,0,0|0,0,1]=4 31773 B12R0.1 CCNC(=O)CCOCCCCF 7a_100011995726_100000737597 [0,3,0,0,0,0|0,0,1]=4 31774 B12R0.1 CCNC(=O)CCOCCCSC 7a_100000690336_100000737597 [0,3,0,0,0,0|0,0,1]=4 31775 B12R0.1 CCNC(=O)CCOCCOCC 7a_100000210136_100000737597 [0,3,0,0,0,0|0,0,1]=4 31776 B12R0.1 CCNC(=O)CCOCCSCC 7a_100000212035_100000737597 [0,3,0,0,0,0|0,0,1]=4 31777 B12R0.1 CCNC(=O)COCCCCCBr 34a_100000746331_100000183381 [0,3,0,0,0,0|0,0,1]=4 31778 B12R0.1 CCNC(=O)COCCCCCBr 7a_100000746331_100000183381 [0,3,0,0,0,0|0,0,1]=4 31779 B12R0.1 CCNC(=O)COCCCCCCl 34a_100000746330_100000183381 [0,3,0,0,0,0|0,0,1]=4 31780 B12R0.1 CCNC(=O)COCCCCCCl 7a_100000746330_100000183381 [0,3,0,0,0,0|0,0,1]=4 31781 B12R0.1 CCNC(=O)COCCCCCI 34a_200012148887_100000183381 [0,3,0,0,0,0|0,0,1]=4 31782 B12R0.1 CCNC(=O)COCCCCCI 7a_200012148887_100000183381 [0,3,0,0,0,0|0,0,1]=4 31783 B12R0.1 CCNC(=O)COCCCCCN 34a_100000762737_100000183381 [0,3,0,0,0,0|0,0,1]=4 31784 B12R0.1 CCNC(=O)COCCCCOC 34a_100000740925_100000183381 [0,3,0,0,0,0|0,0,1]=4 31785 B12R0.1 CCNC(=O)COCCCCSC 34a_100011217163_100000183381 [0,3,0,0,0,0|0,0,1]=4 31786 B12R0.1 CCNC(=O)COCCCCSC 7a_100011217163_100000183381 [0,3,0,0,0,0|0,0,1]=4 31787 B12R0.1 CCNC(=O)COCCCOCC 34a_100000757476_100000183381 [0,3,0,0,0,0|0,0,1]=4 31788 B12R0.1 CCNC(=O)COCCCOCC 7a_100000757476_100000183381 [0,3,0,0,0,0|0,0,1]=4 31789 B12R0.1 CCNC(=O)COCCCSCC 34a_100011216438_100000183381 [0,3,0,0,0,0|0,0,1]=4 31790 B12R0.1 CCNC(=O)COCCCSCC 7a_100011216438_100000183381 [0,3,0,0,0,0|0,0,1]=4 31791 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [0,3,0,0,0,0|0,0,1]=4 31792 B12R0.1 CCOC(=O)CCCOCCCBr 34a_100011217188_100009991533 [0,3,0,0,0,0|1,0,0]=4 31793 B12R0.1 CCOC(=O)CCCOCCCCl 34a_100000230001_100009991533 [0,3,0,0,0,0|1,0,0]=4 31794 B12R0.1 CCOC(=O)CCCOCCCF 34a_100000759539_100009991533 [0,3,0,0,0,0|1,0,0]=4 31795 B12R0.1 CCOC(=O)CCCOCCCF 7a_100012001163_100011934791 [0,3,0,0,0,0|1,0,0]=4 31796 B12R0.1 CCOC(=O)CCCOCCCN 34a_100000182051_100009991533 [0,3,0,0,0,0|1,0,0]=4 31797 B12R0.1 CCOC(=O)CCCOCCCO 7a_100012001163_100011215043 [0,3,0,0,0,0|1,0,0]=4 31798 B12R0.1 CCOC(=O)CCCOCCOC 34a_100000210237_100009991533 [0,3,0,0,0,0|1,0,0]=4 31799 B12R0.1 CCOC(=O)CCCOCCOC 7a_100012001163_100000233755 [0,3,0,0,0,0|1,0,0]=4 31800 B12R0.1 CCOC(=O)CCCOCCSC 34a_100000230434_100009991533 [0,3,0,0,0,0|1,0,0]=4 31801 B12R0.1 CCOC(=O)CCCOCCSC 7a_100000230434_100011215271 [0,3,0,0,0,0|1,0,0]=4 31802 B12R0.1 CCOC(=O)CCCOCCSC 7a_100012001163_100000212216 [0,3,0,0,0,0|1,0,0]=4 31803 B12R0.1 CCOC(=O)CCOCCCCBr 34a_100011216708_100000765890 [0,3,0,0,0,0|0,0,1]=4 31804 B12R0.1 CCOC(=O)CCOCCCCCl 34a_100000210776_100000765890 [0,3,0,0,0,0|0,0,1]=4 31805 B12R0.1 CCOC(=O)CCOCCCCCl 7a_100000210776_100011206558 [0,3,0,0,0,0|0,0,1]=4 31806 B12R0.1 CCOC(=O)CCOCCCCF 34a_100011995726_100000765890 [0,3,0,0,0,0|0,0,1]=4 31807 B12R0.1 CCOC(=O)CCOCCCCF 7a_100011995726_100011206558 [0,3,0,0,0,0|0,0,1]=4 31808 B12R0.1 CCOC(=O)CCOCCCCI 34a_200012148704_100000765890 [0,3,0,0,0,0|0,0,1]=4 31809 B12R0.1 CCOC(=O)CCOCCCCN 34a_100000750430_100000765890 [0,3,0,0,0,0|0,0,1]=4 31810 B12R0.1 CCOC(=O)CCOCCCNC 34a_100000213112_100000765890 [0,3,0,0,0,0|0,0,1]=4 31811 B12R0.1 CCOC(=O)CCOCCCOC 34a_100000740835_100000765890 [0,3,0,0,0,0|0,0,1]=4 31812 B12R0.1 CCOC(=O)CCOCCCSC 34a_100000690336_100000765890 [0,3,0,0,0,0|0,0,1]=4 31813 B12R0.1 CCOC(=O)CCOCCCSC 7a_100000690336_100011206558 [0,3,0,0,0,0|0,0,1]=4 31814 B12R0.1 CCOC(=O)CCOCCSCC 34a_100000212035_100000765890 [0,3,0,0,0,0|0,0,1]=4 31815 B12R0.1 CCOC(=O)CCOCCSCC 7a_100000212035_100011206558 [0,3,0,0,0,0|0,0,1]=4 31816 B12R0.1 CCOC(=O)COCCCCCBr 34a_100000746331_100000188475 [0,3,0,0,0,0|0,0,1]=4 31817 B12R0.1 CCOC(=O)COCCCCCBr 7a_100000746331_100000188475 [0,3,0,0,0,0|0,0,1]=4 31818 B12R0.1 CCOC(=O)COCCCCCCl 34a_100000746330_100000188475 [0,3,0,0,0,0|0,0,1]=4 31819 B12R0.1 CCOC(=O)COCCCCCCl 7a_100000746330_100000188475 [0,3,0,0,0,0|0,0,1]=4 31820 B12R0.1 CCOC(=O)COCCCCCI 34a_200012148887_100000188475 [0,3,0,0,0,0|0,0,1]=4 31821 B12R0.1 CCOC(=O)COCCCCCI 7a_200012148887_100000188475 [0,3,0,0,0,0|0,0,1]=4 31822 B12R0.1 CCOC(=O)COCCCCCN 34a_100000762737_100000188475 [0,3,0,0,0,0|0,0,1]=4 31823 B12R0.1 CCOC(=O)COCCCCOC 34a_100000740925_100000188475 [0,3,0,0,0,0|0,0,1]=4 31824 B12R0.1 CCOC(=O)COCCCCSC 34a_100011217163_100000188475 [0,3,0,0,0,0|0,0,1]=4 31825 B12R0.1 CCOC(=O)COCCCCSC 7a_100011217163_100000188475 [0,3,0,0,0,0|0,0,1]=4 31826 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [0,3,0,0,0,0|0,0,1]=4 31827 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [0,3,0,0,0,0|0,0,1]=4 31828 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [0,3,0,0,0,0|0,0,1]=4 31829 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [0,3,0,0,0,0|0,0,1]=4 31830 B12R0.1 CCOCCCNCC(O)COC 2230a_100000756049_100012232248 [0,3,0,0,0,0|1,0,0]=4 31831 B12R0.1 CCOCCCNCC(O)COC 34a_100000210961_100011215053 [0,3,0,0,0,0|1,0,0]=4 31832 B12R0.1 CCOCCCNCC(O)COC 34a_100000756049_100012232248 [0,3,0,0,0,0|1,0,0]=4 31833 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [0,3,0,0,0,0|0,0,1]=4 31834 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [0,3,0,0,0,0|0,0,1]=4 31835 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [0,3,0,0,0,0|0,0,1]=4 31836 B12R0.1 CCOCCCOCC(C)CCN 34a_106354213184_100012232248 [0,3,0,0,0,0|0,0,0]=3 31837 B12R0.1 CCOCCCOCC(N)COC 34a_100000724102_100012232248 [0,3,0,0,0,0|0,0,0]=3 31838 B12R0.1 CCOCCCOCC(O)COC 34a_100000757476_100011215053 [0,3,0,0,0,0|0,0,0]=3 31839 B12R0.1 CCOCCCOCC(O)COC 7a_100000757476_100011215053 [0,3,0,0,0,0|0,0,0]=3 31840 B12R0.1 CCOCCCOC[C@@H](O)CC#N 7a_100000757476_100000001066 [0,3,0,0,0,0|0,0,1]=4 31841 B12R0.1 CCOCCCSCC(O)COC 62a_100011215053_100012232248 [0,3,0,0,0,0|0,1,0]=4 31842 B12R0.1 CCOCCCSCC(O)COC 62a_100012232248_100011215053 [0,3,0,0,0,0|0,1,0]=4 31843 B12R0.1 CCOCCOCCC(=O)CCO 1458a_100011216618_100011211534 [0,3,0,0,0,0|0,0,1]=4 31844 B12R0.1 CCOCCOCCC(=O)COC 1458a_100000210968_100011211534 [0,3,0,0,0,0|0,0,1]=4 31845 B12R0.1 CCOCCOCCC(=O)CSC 1458a_100000184570_100011211534 [0,3,0,0,0,0|0,0,1]=4 31846 B12R0.1 CCOCCOCCC(=O)OCC 34a_100000210136_100000765890 [0,3,0,0,0,0|0,0,1]=4 31847 B12R0.1 CCOCCOCCC(=O)OCC 7a_100000210136_100011206558 [0,3,0,0,0,0|0,0,1]=4 31848 B12R0.1 CCOCCOCCN(C)CCO 2230a_100000210263_100011211534 [0,3,0,0,0,0|1,0,0]=4 31849 B12R0.1 CCOCCOCCN(C)CCO 269982a_100000210263_100011211534 [0,3,0,0,0,0|1,0,0]=4 31850 B12R0.1 CCSCCCOCC(O)COC 34a_100011216438_100011215053 [0,3,0,0,0,0|0,0,0]=3 31851 B12R0.1 CCSCCCOCC(O)COC 7a_100011216438_100011215053 [0,3,0,0,0,0|0,0,0]=3 31852 B12R0.1 CCSCCCOC[C@@H](O)CC#N 7a_100011216438_100000001066 [0,3,0,0,0,0|0,0,1]=4 31853 B12R0.1 CNCCCCCOC(C)CCO 34a_100000722520_100009893172 [0,3,0,0,0,0|1,0,0]=4 31854 B12R0.1 CNCCCCCOC(C)COC 34a_100000722520_100000765312 [0,3,0,0,0,0|1,0,0]=4 31855 B12R0.1 CNCCOCCOC(C)CCO 34a_100000228057_100009893172 [0,3,0,0,0,0|1,0,0]=4 31856 B12R0.1 CNCCOCCOC(C)COC 34a_100000228057_100000765312 [0,3,0,0,0,0|1,0,0]=4 31857 B12R0.1 COCC(C)OCCCCCCBr 34a_100011215345_100000765312 [0,3,0,0,0,0|1,0,0]=4 31858 B12R0.1 COCC(C)OCCCCCCBr 7a_100011215345_100000765312 [0,3,0,0,0,0|1,0,0]=4 31859 B12R0.1 COCC(C)OCCCCCCCl 34a_100000766143_100000765312 [0,3,0,0,0,0|1,0,0]=4 31860 B12R0.1 COCC(C)OCCCCCCCl 7a_100000766143_100000765312 [0,3,0,0,0,0|1,0,0]=4 31861 B12R0.1 COCC(C)OCCCCCCF 34a_100000732779_100000765312 [0,3,0,0,0,0|1,0,0]=4 31862 B12R0.1 COCC(C)OCCCCCCF 7a_100000732779_100000765312 [0,3,0,0,0,0|1,0,0]=4 31863 B12R0.1 COCC(C)OCCCCCCN 34a_100000686447_100000765312 [0,3,0,0,0,0|1,0,0]=4 31864 B12R0.1 COCC(N)COCCCCCF 34a_100000724102_100000729378 [0,3,0,0,0,0|0,0,0]=3 31865 B12R0.1 COCC(N)COCCCCCO 34a_100000724102_100000746330 [0,3,0,0,0,0|0,0,0]=3 31866 B12R0.1 COCC(N)COCCOCCO 34a_100000724102_100000692535 [0,3,0,0,0,0|1,0,0]=4 31867 B12R0.1 COCC(O)CNCCCCCF 2230a_100000756049_100000729378 [0,3,0,0,0,0|1,0,0]=4 31868 B12R0.1 COCC(O)CNCCCCCF 34a_100000756049_100000729378 [0,3,0,0,0,0|1,0,0]=4 31869 B12R0.1 COCC(O)CNCCCCCO 2230a_100000756049_100000746330 [0,3,0,0,0,0|1,0,0]=4 31870 B12R0.1 COCC(O)CNCCCCCO 34a_100000756049_100000746330 [0,3,0,0,0,0|1,0,0]=4 31871 B12R0.1 COCC(O)CNCCCCCO 34a_100000762737_100011215053 [0,3,0,0,0,0|1,0,0]=4 31872 B12R0.1 COCC(O)COCCCCCBr 34a_100000746331_100011215053 [0,3,0,0,0,0|0,0,0]=3 31873 B12R0.1 COCC(O)COCCCCCBr 7a_100000746331_100011215053 [0,3,0,0,0,0|0,0,0]=3 31874 B12R0.1 COCC(O)COCCCCCCl 34a_100000746330_100011215053 [0,3,0,0,0,0|0,0,0]=3 31875 B12R0.1 COCC(O)COCCCCCCl 7a_100000746330_100011215053 [0,3,0,0,0,0|0,0,0]=3 31876 B12R0.1 COCC(O)COCCCCCI 34a_200012148887_100011215053 [0,3,0,0,0,0|0,0,0]=3 31877 B12R0.1 COCC(O)COCCCCCI 7a_200012148887_100011215053 [0,3,0,0,0,0|0,0,0]=3 31878 B12R0.1 COCC(O)COCCCCCN 34a_100000762737_100011215053 [0,3,0,0,0,0|0,0,0]=3 31879 B12R0.1 COCC(O)COCCCCSC 34a_100011217163_100011215053 [0,3,0,0,0,0|0,0,0]=3 31880 B12R0.1 COCC(O)COCCCCSC 7a_100011217163_100011215053 [0,3,0,0,0,0|0,0,0]=3 31881 B12R0.1 COCC(O)COCCOCCBr 34a_100000692535_100011215053 [0,3,0,0,0,0|1,0,0]=4 31882 B12R0.1 COCC(O)COCCOCCBr 7a_100000692535_100011215053 [0,3,0,0,0,0|1,0,0]=4 31883 B12R0.1 COCC(O)COCCOCCCl 34a_100011215305_100011215053 [0,3,0,0,0,0|1,0,0]=4 31884 B12R0.1 COCC(O)COCCOCCCl 7a_100011215305_100011215053 [0,3,0,0,0,0|1,0,0]=4 31885 B12R0.1 COCC(O)COCCOCCF 34a_200015357709_100011215053 [0,3,0,0,0,0|1,0,0]=4 31886 B12R0.1 COCC(O)COCCOCCF 7a_200015357709_100011215053 [0,3,0,0,0,0|1,0,0]=4 31887 B12R0.1 COCC(O)COCCOCCI 34a_100012149058_100011215053 [0,3,0,0,0,0|1,0,0]=4 31888 B12R0.1 COCC(O)COCCOCCI 7a_100012149058_100011215053 [0,3,0,0,0,0|1,0,0]=4 31889 B12R0.1 COCC(O)COCCOCCN 34a_100000211614_100011215053 [0,3,0,0,0,0|1,0,0]=4 31890 B12R0.1 COCC(O)CSCCCCCF 62a_100000729378_100011215053 [0,3,0,0,0,0|0,1,0]=4 31891 B12R0.1 COCC(O)CSCCCCCF 62a_100011215053_100000729378 [0,3,0,0,0,0|0,1,0]=4 31892 B12R0.1 COCC(O)CSCCCCCO 62a_100000746330_100011215053 [0,3,0,0,0,0|0,1,0]=4 31893 B12R0.1 COCC(O)CSCCCCCO 62a_100011215053_100000746330 [0,3,0,0,0,0|0,1,0]=4 31894 B12R0.1 COCCCCNCC(O)COC 2230a_100000756049_100000730899 [0,3,0,0,0,0|1,0,0]=4 31895 B12R0.1 COCCCCNCC(O)COC 34a_100000756049_100000755781 [0,3,0,0,0,0|1,0,0]=4 31896 B12R0.1 COCCCCOCC(C)CCN 34a_106354213184_100000755781 [0,3,0,0,0,0|0,0,0]=3 31897 B12R0.1 COCCCCOCC(N)COC 34a_100000724102_100000755781 [0,3,0,0,0,0|0,0,0]=3 31898 B12R0.1 COCCCCOCC(O)COC 34a_100000740925_100011215053 [0,3,0,0,0,0|0,0,0]=3 31899 B12R0.1 COCCCCSCC(O)COC 62a_100000730899_100011215053 [0,3,0,0,0,0|0,1,0]=4 31900 B12R0.1 COCCCCSCC(O)COC 62a_100011215053_100000730899 [0,3,0,0,0,0|0,1,0]=4 31901 B12R0.1 COCCOCCCC(=O)CCO 1458a_100011216618_100011216529 [0,3,0,0,0,0|1,0,0]=4 31902 B12R0.1 COCCOCCCC(=O)COC 1458a_100000210968_100011216529 [0,3,0,0,0,0|1,0,0]=4 31903 B12R0.1 COCCOCCCC(=O)CSC 1458a_100000184570_100011216529 [0,3,0,0,0,0|1,0,0]=4 31904 B12R0.1 COCCOCCCN(C)CCO 2230a_100000210263_100011216529 [0,3,0,0,0,0|1,0,0]=4 31905 B12R0.1 COCCOCCCN(C)CCO 269982a_100000210263_100011216529 [0,3,0,0,0,0|1,0,0]=4 31906 B12R0.1 COCCOCCNC(C)CCO 2230a_100000745349_100009893172 [0,3,0,0,0,0|1,0,0]=4 31907 B12R0.1 COCCOCCNC(C)CCO 34a_100000745349_100009893172 [0,3,0,0,0,0|1,0,0]=4 31908 B12R0.1 COCCOCCNC(C)COC 2230a_100000745349_100000765312 [0,3,0,0,0,0|1,0,0]=4 31909 B12R0.1 COCCOCCNC(C)COC 270004a_100000745349_100000749346 [0,3,0,0,0,0|1,0,0]=4 31910 B12R0.1 COCCOCCNC(C)COC 34a_100000745349_100000765312 [0,3,0,0,0,0|1,0,0]=4 31911 B12R0.1 COCCOCCNC(C)CSC 270004a_100000745349_100011216314 [0,3,0,0,0,0|1,0,0]=4 31912 B12R0.1 COCCOCCN[C@H](C)CCO 2230a_100000706166_100000695917 [0,3,0,0,0,0|1,0,0]=4 31913 B12R0.1 COCCOCCN[C@H](C)CCO 34a_100000706166_100000695917 [0,3,0,0,0,0|1,0,0]=4 31914 B12R0.1 COCCOCCN[C@H](C)COC 2230a_100000764878_100000695917 [0,3,0,0,0,0|1,0,0]=4 31915 B12R0.1 COCCOCCOC(C)CCBr 34a_100012276601_100000695917 [0,3,0,0,0,0|1,0,0]=4 31916 B12R0.1 COCCOCCOC(C)CCO 34a_100011215163_100009893172 [0,3,0,0,0,0|1,0,0]=4 31917 B12R0.1 COCCOCCOC(C)CCO 7a_100011215163_100009893172 [0,3,0,0,0,0|1,0,0]=4 31918 B12R0.1 COCCOCCOC(C)COC 34a_100011215163_100000765312 [0,3,0,0,0,0|1,0,0]=4 31919 B12R0.1 COCCOCCOC(C)COC 7a_100011215163_100000765312 [0,3,0,0,0,0|1,0,0]=4 31920 B12R0.1 COCCOCCO[C@H](C)COC 34a_100011934205_100000695917 [0,3,0,0,0,0|1,0,0]=4 31921 B12R0.1 COCCOCCSC(C)CCO 62a_100000695917_100009893172 [0,3,0,0,0,0|1,0,0]=4 31922 B12R0.1 COCCOCCSC(C)CCO 62a_100009893172_100000695917 [0,3,0,0,0,0|1,0,0]=4 31923 B12R0.1 COCCOCCSC(C)COC 62a_100000695917_100000765312 [0,3,0,0,0,0|1,0,0]=4 31924 B12R0.1 COCCOCCSC(C)COC 62a_100000765312_100000695917 [0,3,0,0,0,0|1,0,0]=4 31925 B12R0.1 COCCOCNCC(O)COC 2230a_100000756049_100000231047 [0,3,0,0,0,0|1,0,0]=4 31926 B12R0.1 COCCOCSCC(O)COC 62a_100000231047_100011215053 [0,3,0,0,0,0|1,0,0]=4 31927 B12R0.1 COCCOCSCC(O)COC 62a_100011215053_100000231047 [0,3,0,0,0,0|1,0,0]=4 31928 B12R0.1 COC[C@@H](C)OCCCCCCF 34a_100011934205_100015922095 [0,3,0,0,0,0|1,0,0]=4 31929 B12R0.1 COC[C@@H](C)OCCCCCCO 34a_100011934205_100000766143 [0,3,0,0,0,0|1,0,0]=4 31930 B12R0.1 CSCCCCOC[C@@H](O)CC#N 7a_100011217163_100000001066 [0,3,0,0,0,0|0,0,1]=4 31931 B12R0.1 N#CC[C@H](O)COCCCCCBr 7a_100000746331_100000001066 [0,3,0,0,0,0|0,0,1]=4 31932 B12R0.1 N#CC[C@H](O)COCCCCCCl 7a_100000746330_100000001066 [0,3,0,0,0,0|0,0,1]=4 31933 B12R0.1 N#CC[C@H](O)COCCCCCI 7a_200012148887_100000001066 [0,3,0,0,0,0|0,0,1]=4 31934 B12R0.49 C#CCCCCOC(C)C(C)CC 7a_100011215189_100010269958 [0,3,0,0,0,0|0,0,1]=4 31935 B12R0.49 C=CC(C)C(=O)CCOCCCC 1458a_100011216780_100000743108 [0,3,0,0,0,0|0,0,1]=4 31936 B12R0.49 C=CCCCCOC(C)C(C)CC 7a_100011215189_100011215482 [0,3,0,0,0,0|0,0,1]=4 31937 B12R0.49 C=C[C@@H](C)[C@@H](C)OCOCCCC 34a_100015455354_100011995733 [0,3,0,0,0,0|1,0,0]=4 31938 B12R0.49 CC/C=C\CCOC(C)C(C)CC 7a_100011215189_100015370543 [0,3,0,0,0,0|0,0,1]=4 31939 B12R0.49 CCC(=O)C(C)OCCCCCBr 7a_100000746331_100000742827 [0,3,0,0,0,0|0,0,1]=4 31940 B12R0.49 CCC(=O)C(C)OCCCCCCl 7a_100000746330_100000742827 [0,3,0,0,0,0|0,0,1]=4 31941 B12R0.49 CCC(=O)C(C)OCCCCCI 7a_200012148887_100000742827 [0,3,0,0,0,0|0,0,1]=4 31942 B12R0.49 CCC(=O)C(C)OCCCCSC 7a_100011217163_100000742827 [0,3,0,0,0,0|0,0,1]=4 31943 B12R0.49 CCC(C)C(=O)CCOCCOC 1458a_100000745395_100000758301 [0,3,0,0,0,0|1,0,0]=4 31944 B12R0.49 CCC(C)C(=O)CCOCCOC 1458a_100011192722_100000695917 [0,3,0,0,0,0|1,0,0]=4 31945 B12R0.49 CCC(C)C(C)NCCCCCO 269862a_100000762737_100000210599 [0,3,0,0,0,0|1,0,0]=4 31946 B12R0.49 CCC(C)C(C)NCCCCCO 270004a_100000762737_100000210599 [0,3,0,0,0,0|1,0,0]=4 31947 B12R0.49 CCC(C)C(C)OCCCCC#N 7a_100011215189_100000211819 [0,3,0,0,0,0|0,0,1]=4 31948 B12R0.49 CCC(C)C(C)OCCCCC=O 7a_100011215189_100000139335 [0,3,0,0,0,0|0,0,1]=4 31949 B12R0.49 CCC(C)C(C)OCCCCCF 7a_100011215189_100000729378 [0,3,0,0,0,0|0,0,0]=3 31950 B12R0.49 CCC(C)C(C)OCCCCCO 7a_100011215189_100000746330 [0,3,0,0,0,0|0,0,0]=3 31951 B12R0.49 CCC(C)C(C)OCCCCOC 7a_100011215189_100000730899 [0,3,0,0,0,0|0,0,0]=3 31952 B12R0.49 CCC(C)C(C)OCCOCCO 7a_100011215189_100011215305 [0,3,0,0,0,0|1,0,0]=4 31953 B12R0.49 CCC(C)N(C)CCOCCOC 2230a_100000741768_100000695917 [0,3,0,0,0,0|1,0,0]=4 31954 B12R0.49 CCC(C)N(C)CCOCCOC 269982a_100000741768_100000695917 [0,3,0,0,0,0|1,0,0]=4 31955 B12R0.49 CCC(O)C(=O)CCOCCOC 1458a_100011196387_100000695917 [0,3,0,0,0,0|1,0,0]=4 31956 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100000211969_100000758301 [0,3,0,0,0,0|1,0,0]=4 31957 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210614 [0,3,0,0,0,0|1,0,0]=4 31958 B12R0.49 CCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210614 [0,3,0,0,0,0|1,0,0]=4 31959 B12R0.49 CCCCCCCC(C)C(=O)CC 1458a_100000210414_200011218727 [0,3,0,0,0,0|1,0,0]=4 31960 B12R0.49 CCCCCCCC(C)N(C)CC 2230a_100000225621_200011218727 [0,3,0,0,0,0|1,0,0]=4 31961 B12R0.49 CCCCCCCC(C)N(C)CC 269982a_100000225621_200011218727 [0,3,0,0,0,0|1,0,0]=4 31962 B12R0.49 CCCCCCCN(C)C(C)CC 2230a_100000228206_100000758301 [0,3,0,0,0,0|1,0,0]=4 31963 B12R0.49 CCCCCCCN(C)C(C)CC 2230a_100000741768_100000210681 [0,3,0,0,0,0|1,0,0]=4 31964 B12R0.49 CCCCCCCN(C)C(C)CC 269982a_100000228206_100000758301 [0,3,0,0,0,0|1,0,0]=4 31965 B12R0.49 CCCCCCCN(C)C(C)CC 269982a_100000741768_100000210681 [0,3,0,0,0,0|1,0,0]=4 31966 B12R0.49 CCCCCCNC(C)C(C)CC 269862a_100000210581_100000210599 [0,3,0,0,0,0|1,0,0]=4 31967 B12R0.49 CCCCCCNC(C)C(C)CC 270004a_100000210581_100000210599 [0,3,0,0,0,0|1,0,0]=4 31968 B12R0.49 CCCCCCOC(C)C(=O)CC 7a_100000210259_100000742827 [0,3,0,0,0,0|0,0,1]=4 31969 B12R0.49 CCCCCCOC(C)C(C)CC 7a_100011215189_100000210314 [0,3,0,0,0,0|0,0,0]=3 31970 B12R0.49 CCCCCOCC(=O)N(C)CC 34a_100000210253_100000738999 [0,3,0,0,0,0|0,0,1]=4 31971 B12R0.49 CCCCCOCC(=O)N(C)CC 7a_100000210253_100000738999 [0,3,0,0,0,0|0,0,1]=4 31972 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000210253_100000698445 [0,3,0,0,0,0|0,0,1]=4 31973 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000749362_100000718602 [0,3,0,0,0,0|0,0,1]=4 31974 B12R0.49 CCCCCOCC(C)C(=O)OC 7a_100000749362_100000210326 [0,3,0,0,0,0|0,0,1]=4 31975 B12R0.49 CCCCCOCC(C)N(C)CC 7a_100000732741_100000210326 [0,3,0,0,0,0|0,0,0]=3 31976 B12R0.49 CCCCCOCC(F)C(=O)OC 34a_200009849844_100000718602 [0,3,0,0,0,0|0,0,1]=4 31977 B12R0.49 CCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000718602 [0,3,0,0,0,0|0,0,1]=4 31978 B12R0.49 CCCCOCCC(=O)C(C)C#N 1458a_100000753662_100000743108 [0,3,0,0,0,0|0,0,1]=4 31979 B12R0.49 CCCCOCCC(=O)C(C)CC 1458a_100011192722_100000743108 [0,3,0,0,0,0|0,0,0]=3 31980 B12R0.49 CCCCOCCC(=O)C(C)OC 1458a_100000743197_100000743108 [0,3,0,0,0,0|0,0,1]=4 31981 B12R0.49 CCCCOCCC(=O)C(C)SC 1458a_100000149566_100000743108 [0,3,0,0,0,0|0,0,1]=4 31982 B12R0.49 CCCCOCCC(=O)C(O)CC 1458a_100011196387_100000743108 [0,3,0,0,0,0|0,0,0]=3 31983 B12R0.49 CCCCOCCC(=O)C(O)CO 1458a_100011215603_100000743108 [0,3,0,0,0,0|0,0,1]=4 31984 B12R0.49 CCCCOCCC(C)C(=O)OC 34a_100000210227_100000034942 [0,3,0,0,0,0|0,0,1]=4 31985 B12R0.49 CCCCOCCC(C)C(=O)OC 7a_100000210227_100000034942 [0,3,0,0,0,0|0,0,1]=4 31986 B12R0.49 CCCCOCCN(C)C(C)CC 2230a_100000741768_100000743108 [0,3,0,0,0,0|0,0,0]=3 31987 B12R0.49 CCCCOCCN(C)C(C)CC 269982a_100000741768_100000743108 [0,3,0,0,0,0|0,0,0]=3 31988 B12R0.49 CCCCOCCN(C)C(C)CO 2230a_100000693034_100000743108 [0,3,0,0,0,0|1,0,0]=4 31989 B12R0.49 CCCCOCCN(C)C(C)CO 269982a_100000693034_100000743108 [0,3,0,0,0,0|1,0,0]=4 31990 B12R0.49 CCCCOCSC(C)C(=O)CC 62a_100000742827_100011995733 [0,3,0,0,0,0|0,0,1]=4 31991 B12R0.49 CCCCOCSC(C)C(=O)CC 62a_100011995733_100000742827 [0,3,0,0,0,0|0,0,1]=4 31992 B12R0.49 CCCOCCNC(C)C(C)CC 269862a_100161115042_100000210599 [0,3,0,0,0,0|1,0,0]=4 31993 B12R0.49 CCCOCCNC(C)C(C)CC 270004a_100161115042_100000210599 [0,3,0,0,0,0|1,0,0]=4 31994 B12R0.49 CCCOCCOC(C)C(=O)CC 7a_100000752267_100000742827 [0,3,0,0,0,0|0,0,1]=4 31995 B12R0.49 CCCOCCOC(C)C(C)CC 7a_100011215189_100011215938 [0,3,0,0,0,0|0,0,0]=3 31996 B12R0.49 CCCSCCNC(C)C(C)CC 269862a_100020603323_100000210599 [0,3,0,0,0,0|1,0,0]=4 31997 B12R0.49 CCCSCCNC(C)C(C)CC 270004a_100020603323_100000210599 [0,3,0,0,0,0|1,0,0]=4 31998 B12R0.49 CCCSCCOC(C)C(=O)CC 7a_200000230433_100000742827 [0,3,0,0,0,0|0,0,1]=4 31999 B12R0.49 CCN(C)C(C)COCCCCF 7a_100000732741_100000729493 [0,3,0,0,0,0|1,0,0]=4 32000 B12R0.49 CCN(C)C(C)COCCCCO 7a_100000732741_100000210776 [0,3,0,0,0,0|1,0,0]=4 32001 B12R0.49 CCN(C)C(C)COCCCOC 7a_100000732741_100000740836 [0,3,0,0,0,0|1,0,0]=4 32002 B12R0.49 CCOCCCNC(C)C(C)CC 269862a_100000210961_100000210599 [0,3,0,0,0,0|1,0,0]=4 32003 B12R0.49 CCOCCCNC(C)C(C)CC 270004a_100000210961_100000210599 [0,3,0,0,0,0|1,0,0]=4 32004 B12R0.49 CCOCCCOC(C)C(=O)CC 7a_100000757476_100000742827 [0,3,0,0,0,0|0,0,1]=4 32005 B12R0.49 CCOCCCOC(C)C(C)CC 7a_100011215189_100012232248 [0,3,0,0,0,0|0,0,0]=3 32006 B12R0.49 CCOCCOCC(C)N(C)CC 7a_100000732741_100011215890 [0,3,0,0,0,0|1,0,0]=4 32007 B12R0.49 CCSCCCOC(C)C(=O)CC 7a_100011216438_100000742827 [0,3,0,0,0,0|0,0,1]=4 32008 B12R0.49 CCSCCOCC(C)N(C)CC 7a_100000732741_100000757381 [0,3,0,0,0,0|1,0,0]=4 32009 B12R0.101 C=CCC(C)COC(C)CCCC 34a_100009832082_200011215066 [0,3,0,0,0,0|0,0,1]=4 32010 B12R0.101 C=CCC(C)COC(C)CCCC 7a_100009832082_200011215066 [0,3,0,0,0,0|0,0,1]=4 32011 B12R0.101 C=CCCC(C)OCC(C)CCC 34a_100000765329_100011216630 [0,3,0,0,0,0|0,0,1]=4 32012 B12R0.101 C=CCCC(C)OCC(C)CCC 7a_100000765329_100011216630 [0,3,0,0,0,0|0,0,1]=4 32013 B12R0.101 C=CC[C@@H](N)COC(C)CCCC 34a_100020615467_200011215066 [0,3,0,0,0,0|0,0,1]=4 32014 B12R0.101 CCC#CC(C)OCC(C)CCC 34a_100000033903_100011216630 [0,3,0,0,0,0|0,0,1]=4 32015 B12R0.101 CCC#CC(C)OCC(C)CCC 7a_100000033903_100011216630 [0,3,0,0,0,0|0,0,1]=4 32016 B12R0.101 CCCC(=O)COC(C)CCCCl 7a_200000718107_100000747444 [0,3,0,0,0,0|0,0,1]=4 32017 B12R0.101 CCCC(=O)COC(C)COCC 7a_100000718985_100000747444 [0,3,0,0,0,0|0,0,1]=4 32018 B12R0.101 CCCC(C)COC(C)CCCCl 34a_200000718107_100011216630 [0,3,0,0,0,0|0,0,0]=3 32019 B12R0.101 CCCC(C)COC(C)CCCCl 7a_200000718107_100011216630 [0,3,0,0,0,0|0,0,0]=3 32020 B12R0.101 CCCC(C)COC(C)COCC 34a_100000718985_100011216630 [0,3,0,0,0,0|0,0,0]=3 32021 B12R0.101 CCCC(C)COC(C)COCC 7a_100000718985_100011216630 [0,3,0,0,0,0|0,0,0]=3 32022 B12R0.101 CCCC(C)NCC(O)COCC 2230a_102515437182_100000766640 [0,3,0,0,0,0|1,0,0]=4 32023 B12R0.101 CCCC(C)NCC(O)COCC 270004a_102515437182_100000211909 [0,3,0,0,0,0|1,0,0]=4 32024 B12R0.101 CCCC(C)NCC(O)COCC 34a_102515437182_100000766640 [0,3,0,0,0,0|1,0,0]=4 32025 B12R0.101 CCCC(C)NC[C@H](C)CCCO 2230a_100160569302_100000766640 [0,3,0,0,0,0|1,0,0]=4 32026 B12R0.101 CCCC(C)NC[C@H](C)CCCO 270004a_100160569302_100000211909 [0,3,0,0,0,0|1,0,0]=4 32027 B12R0.101 CCCC(C)NC[C@H](C)CCCO 34a_100160569302_100000766640 [0,3,0,0,0,0|1,0,0]=4 32028 B12R0.101 CCCC(C)OC[C@@H](C)OCOC 34a_100016172286_100000766640 [0,3,0,0,0,0|1,0,0]=4 32029 B12R0.101 CCCC(C)OC[C@@H](C)OCOC 7a_100016172286_100000766640 [0,3,0,0,0,0|1,0,0]=4 32030 B12R0.101 CCCC(C)OC[C@@H](N)CCSC 34a_100011827619_100000766640 [0,3,0,0,0,0|0,0,0]=3 32031 B12R0.101 CCCCC(=O)COC(=O)CCC 1458a_100000210183_100000034017 [0,3,0,0,0,0|0,0,1]=4 32032 B12R0.101 CCCCC(C)CCC(=O)CCC 1458a_100000033779_100000210303 [0,3,0,0,0,0|1,0,0]=4 32033 B12R0.101 CCCCC(C)COC(C)CCC 34a_100011995851_100000766640 [0,3,0,0,0,0|0,0,0]=3 32034 B12R0.101 CCCCC(C)COC(C)CCC 7a_100011995851_100000766640 [0,3,0,0,0,0|0,0,0]=3 32035 B12R0.101 CCCCC(C)COC(C)CCO 34a_100011995851_100009893172 [0,3,0,0,0,0|1,0,0]=4 32036 B12R0.101 CCCCC(C)COC(C)CCO 7a_100011995851_100009893172 [0,3,0,0,0,0|1,0,0]=4 32037 B12R0.101 CCCCC(C)COC(C)COC 34a_100011995851_100000765312 [0,3,0,0,0,0|1,0,0]=4 32038 B12R0.101 CCCCC(C)COC(C)COC 7a_100011995851_100000765312 [0,3,0,0,0,0|1,0,0]=4 32039 B12R0.101 CCCCC(C)NCC(=O)CCC 2230a_100000126638_100000747444 [0,3,0,0,0,0|1,0,0]=4 32040 B12R0.101 CCCCC(C)NCC(C)CCC 2230a_100000126638_100011216630 [0,3,0,0,0,0|1,0,0]=4 32041 B12R0.101 CCCCC(C)NCC(C)CCC 270004a_100000126638_100000243154 [0,3,0,0,0,0|1,0,0]=4 32042 B12R0.101 CCCCC(C)NCC(O)COC 2230a_100000756049_200011215066 [0,3,0,0,0,0|1,0,0]=4 32043 B12R0.101 CCCCC(C)NCC(O)COC 270004a_100000756049_100000210087 [0,3,0,0,0,0|1,0,0]=4 32044 B12R0.101 CCCCC(C)NCC(O)COC 34a_100000756049_200011215066 [0,3,0,0,0,0|1,0,0]=4 32045 B12R0.101 CCCCC(C)OCC(=O)CCC 7a_100000687866_100000747444 [0,3,0,0,0,0|0,0,0]=3 32046 B12R0.101 CCCCC(C)OCC(=O)NCC 34a_100000687866_100000183381 [0,3,0,0,0,0|0,0,1]=4 32047 B12R0.101 CCCCC(C)OCC(=O)NCC 7a_100000687866_100000183381 [0,3,0,0,0,0|0,0,1]=4 32048 B12R0.101 CCCCC(C)OCC(=O)OCC 34a_100000687866_100000188475 [0,3,0,0,0,0|0,0,1]=4 32049 B12R0.101 CCCCC(C)OCC(=O)OCC 7a_100000687866_100000188475 [0,3,0,0,0,0|0,0,1]=4 32050 B12R0.101 CCCCC(C)OCC(C)CCC 34a_100000687866_100011216630 [0,3,0,0,0,0|0,0,0]=3 32051 B12R0.101 CCCCC(C)OCC(C)CCC 34a_100000688023_200011215066 [0,3,0,0,0,0|0,0,0]=3 32052 B12R0.101 CCCCC(C)OCC(C)CCC 7a_100000687866_100011216630 [0,3,0,0,0,0|0,0,0]=3 32053 B12R0.101 CCCCC(C)OCC(C)CCC 7a_100000688023_200011215066 [0,3,0,0,0,0|0,0,0]=3 32054 B12R0.101 CCCCC(C)OCC(C)CCN 34a_106354213184_200011215066 [0,3,0,0,0,0|0,0,0]=3 32055 B12R0.101 CCCCC(C)OCC(N)COC 34a_100000724102_200011215066 [0,3,0,0,0,0|0,0,0]=3 32056 B12R0.101 CCCCC(C)OCC(O)COC 34a_100000687866_100011215053 [0,3,0,0,0,0|0,0,0]=3 32057 B12R0.101 CCCCC(C)OCC(O)COC 7a_100000687866_100011215053 [0,3,0,0,0,0|0,0,0]=3 32058 B12R0.101 CCCCC(C)OC[C@@H](N)CCC 34a_100000732646_200011215066 [0,3,0,0,0,0|0,0,0]=3 32059 B12R0.101 CCCCC(C)OC[C@@H](O)CC#N 7a_100000687866_100000001066 [0,3,0,0,0,0|0,0,1]=4 32060 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_100000747444_200011215066 [0,3,0,0,0,0|0,1,0]=4 32061 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_200011215066_100000747444 [0,3,0,0,0,0|0,1,0]=4 32062 B12R0.101 CCCCC(C)SCC(C)CCC 62a_100011216630_200011215066 [0,3,0,0,0,0|0,1,0]=4 32063 B12R0.101 CCCCC(C)SCC(C)CCC 62a_200011215066_100011216630 [0,3,0,0,0,0|0,1,0]=4 32064 B12R0.101 CCCCC(C)SCC(O)COC 62a_100011215053_200011215066 [0,3,0,0,0,0|0,1,0]=4 32065 B12R0.101 CCCCC(C)SCC(O)COC 62a_200011215066_100011215053 [0,3,0,0,0,0|0,1,0]=4 32066 B12R0.101 CCCCN(C)COC(=O)CCC 2230a_100000207549_100000034017 [0,3,0,0,0,0|0,0,1]=4 32067 B12R0.101 CCCCN(C)COC(=O)CCC 269982a_100000207549_100000034017 [0,3,0,0,0,0|0,0,1]=4 32068 B12R0.101 CCCC[C@H](N)COC(C)CCC 34a_100011934283_100000766640 [0,3,0,0,0,0|0,0,0]=3 32069 B12R0.101 CCCC[C@H](N)COC(C)CCO 34a_100011934283_100009893172 [0,3,0,0,0,0|1,0,0]=4 32070 B12R0.101 CCCC[C@H](N)COC(C)COC 34a_100011934283_100000765312 [0,3,0,0,0,0|1,0,0]=4 32071 B12R0.101 CCCNC(=O)COC(C)CCC 34a_100000764384_100000183358 [0,3,0,0,0,0|0,0,1]=4 32072 B12R0.101 CCCNC(=O)COC(C)CCC 7a_100000764384_100000183358 [0,3,0,0,0,0|0,0,1]=4 32073 B12R0.101 CCCNC(C)CCC(C)CCC 270004a_100020643023_200011216527 [0,3,0,0,0,0|1,0,0]=4 32074 B12R0.101 CCCOC(=O)COC(C)CCC 34a_100000764384_200011215008 [0,3,0,0,0,0|0,0,1]=4 32075 B12R0.101 CCCOC(=O)COC(C)CCC 7a_100000764384_200011215008 [0,3,0,0,0,0|0,0,1]=4 32076 B12R0.101 CCCOC(C)CNC(C)CCC 2230a_100015185124_100000766640 [0,3,0,0,0,0|1,0,0]=4 32077 B12R0.101 CCCOC(C)CNC(C)CCC 270004a_100015185124_100000211909 [0,3,0,0,0,0|1,0,0]=4 32078 B12R0.101 CCCOC(C)CNC(C)CCC 34a_100015185124_100000766640 [0,3,0,0,0,0|1,0,0]=4 32079 B12R0.101 CCCOC(C)COC(C)COC 34a_200011930013_100000210303 [0,3,0,0,0,0|1,0,0]=4 32080 B12R0.101 CCCOC(C)COC(C)COC 7a_200011930013_100000210303 [0,3,0,0,0,0|1,0,0]=4 32081 B12R0.101 CCOCC(C)OCC(O)COC 34a_100000718985_100011215053 [0,3,0,0,0,0|1,0,0]=4 32082 B12R0.101 CCOCC(C)OCC(O)COC 7a_100000718985_100011215053 [0,3,0,0,0,0|1,0,0]=4 32083 B12R0.101 COCC(C)OC[C@@H](N)CCSC 34a_100011827619_100000765312 [0,3,0,0,0,0|1,0,0]=4 32084 B12R0.101 COCC(O)COC(C)CCCCl 34a_200000718107_100011215053 [0,3,0,0,0,0|1,0,0]=4 32085 B12R0.101 COCC(O)COC(C)CCCCl 7a_200000718107_100011215053 [0,3,0,0,0,0|1,0,0]=4 32086 B12R0.101 CSCC[C@H](N)COC(C)CCO 34a_100011827619_100009893172 [0,3,0,0,0,0|1,0,0]=4 32087 B12R0.114 C#CCCCOC(C)C(C)CCC 34a_100000708338_100000695029 [0,3,0,0,0,0|0,0,1]=4 32088 B12R0.114 C#CCCCOC(C)C(C)CCC 7a_100000708338_100011215417 [0,3,0,0,0,0|0,0,1]=4 32089 B12R0.114 C=CCCCOC(C)C(C)CCC 34a_100000708338_100000757094 [0,3,0,0,0,0|0,0,1]=4 32090 B12R0.114 C=CCCCOC(C)C(C)CCC 7a_100000708338_100000757094 [0,3,0,0,0,0|0,0,1]=4 32091 B12R0.114 CC/C=C\COC(C)C(C)CCC 34a_100000708338_100103147603 [0,3,0,0,0,0|0,0,1]=4 32092 B12R0.114 CC/C=C\COC(C)C(C)CCC 7a_100000708338_100103147603 [0,3,0,0,0,0|0,0,1]=4 32093 B12R0.114 CCC#CCOC(C)C(C)CCC 34a_100000708338_100009813939 [0,3,0,0,0,0|0,0,1]=4 32094 B12R0.114 CCC#CCOC(C)C(C)CCC 7a_100000708338_100009813939 [0,3,0,0,0,0|0,0,1]=4 32095 B12R0.114 CCCC(=O)C(C)OCCOCC 1458a_100000743585_100000210303 [0,3,0,0,0,0|0,0,1]=4 32096 B12R0.114 CCCC(C)C(=O)CCCCCF 1458a_100000210906_100000729378 [0,3,0,0,0,0|1,0,0]=4 32097 B12R0.114 CCCC(C)C(=O)CCCCCO 1458a_100000210906_100000746330 [0,3,0,0,0,0|1,0,0]=4 32098 B12R0.114 CCCC(C)C(=O)CCCCCO 1458a_100102619762_100000766640 [0,3,0,0,0,0|1,0,0]=4 32099 B12R0.114 CCCC(C)C(=O)CCCCOC 1458a_100000210906_100000755781 [0,3,0,0,0,0|1,0,0]=4 32100 B12R0.114 CCCC(C)C(=O)CCCOCC 1458a_100000210906_100012232248 [0,3,0,0,0,0|1,0,0]=4 32101 B12R0.114 CCCC(C)C(=O)COCCOC 1458a_100000211095_100000766640 [0,3,0,0,0,0|1,0,0]=4 32102 B12R0.114 CCCC(C)C(C)NCCCCO 270004a_100000750430_100011216282 [0,3,0,0,0,0|1,0,0]=4 32103 B12R0.114 CCCC(C)C(C)NCCCOC 270004a_100150723488_100011216282 [0,3,0,0,0,0|1,0,0]=4 32104 B12R0.114 CCCC(C)C(C)NCCCSC 270004a_100000749238_100011216282 [0,3,0,0,0,0|1,0,0]=4 32105 B12R0.114 CCCC(C)C(C)NCCOCC 270004a_102516460346_100011216282 [0,3,0,0,0,0|1,0,0]=4 32106 B12R0.114 CCCC(C)C(C)NCCSCC 270004a_100000106463_100011216282 [0,3,0,0,0,0|1,0,0]=4 32107 B12R0.114 CCCC(C)C(C)OCCCC#N 7a_100000708338_100000687738 [0,3,0,0,0,0|0,0,1]=4 32108 B12R0.114 CCCC(C)C(C)OCCCC=O 7a_100000708338_200011292268 [0,3,0,0,0,0|0,0,1]=4 32109 B12R0.114 CCCC(C)C(C)OCCCCF 34a_100000708338_100000729493 [0,3,0,0,0,0|0,0,0]=3 32110 B12R0.114 CCCC(C)C(C)OCCCCF 7a_100000708338_100000729493 [0,3,0,0,0,0|0,0,0]=3 32111 B12R0.114 CCCC(C)C(C)OCCCCO 34a_100000708338_100011216708 [0,3,0,0,0,0|0,0,0]=3 32112 B12R0.114 CCCC(C)C(C)OCCCCO 7a_100000708338_100000210776 [0,3,0,0,0,0|0,0,0]=3 32113 B12R0.114 CCCC(C)C(C)OCCCOC 34a_100000708338_100000740836 [0,3,0,0,0,0|0,0,0]=3 32114 B12R0.114 CCCC(C)C(C)OCCCOC 7a_100000708338_100000740836 [0,3,0,0,0,0|0,0,0]=3 32115 B12R0.114 CCCC(C)C(C)OCCOCC 34a_100000708338_100000210147 [0,3,0,0,0,0|0,0,0]=3 32116 B12R0.114 CCCC(C)C(C)OCCOCC 7a_100000708338_100011215890 [0,3,0,0,0,0|0,0,0]=3 32117 B12R0.114 CCCC(C)C(C)OCCSCC 34a_100000708338_100000757381 [0,3,0,0,0,0|0,0,0]=3 32118 B12R0.114 CCCC(C)C(C)OCCSCC 7a_100000708338_100000757381 [0,3,0,0,0,0|0,0,0]=3 32119 B12R0.114 CCCC(C)N(C)CCCCCO 2230a_100000722520_100000766640 [0,3,0,0,0,0|1,0,0]=4 32120 B12R0.114 CCCC(C)N(C)CCCCCO 269982a_100000722520_100000766640 [0,3,0,0,0,0|1,0,0]=4 32121 B12R0.114 CCCC(C)N(C)CCCCCO 270004a_100000722520_100000211909 [0,3,0,0,0,0|1,0,0]=4 32122 B12R0.114 CCCCCCC(=O)C(C)CCC 1458a_100000210906_100000210757 [0,3,0,0,0,0|1,0,0]=4 32123 B12R0.114 CCCCCCC(=O)C(C)CCC 1458a_100102632555_100000766640 [0,3,0,0,0,0|1,0,0]=4 32124 B12R0.114 CCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210757 [0,3,0,0,0,0|1,0,0]=4 32125 B12R0.114 CCCCCCC(C)C(=O)CCC 1458a_100000211992_100011215978 [0,3,0,0,0,0|1,0,0]=4 32126 B12R0.114 CCCCCCC(C)N(C)CCC 2230a_100000747261_100011215978 [0,3,0,0,0,0|1,0,0]=4 32127 B12R0.114 CCCCCCC(C)N(C)CCC 269982a_100000747261_100011215978 [0,3,0,0,0,0|1,0,0]=4 32128 B12R0.114 CCCCCCC(C)N(C)CCC 270004a_100000747261_100000210826 [0,3,0,0,0,0|1,0,0]=4 32129 B12R0.114 CCCCCCC(O)C(=O)CCC 1458a_100011215828_100000210303 [0,3,0,0,0,0|1,0,0]=4 32130 B12R0.114 CCCCCCN(C)C(C)CCC 2230a_106256046315_100000766640 [0,3,0,0,0,0|1,0,0]=4 32131 B12R0.114 CCCCCCN(C)C(C)CCC 269982a_106256046315_100000766640 [0,3,0,0,0,0|1,0,0]=4 32132 B12R0.114 CCCCCCN(C)C(C)CCC 270004a_106256046315_100000211909 [0,3,0,0,0,0|1,0,0]=4 32133 B12R0.114 CCCCCNC(=O)C(C)CCC 11a_100000209983_100000210906 [0,3,0,0,0,0|1,0,0]=4 32134 B12R0.114 CCCCCNC(=O)C(C)CCC 1626a_100000209983_100000210906 [0,3,0,0,0,0|1,0,0]=4 32135 B12R0.114 CCCCCNC(=O)C(C)CCC 240690a_100000209983_100000210906 [0,3,0,0,0,0|1,0,0]=4 32136 B12R0.114 CCCCCNC(=O)C(C)CCC 527a_100000209983_100000210906 [0,3,0,0,0,0|1,0,0]=4 32137 B12R0.114 CCCCCNC(=O)[C@@H](O)CCC 240690a_100000209983_100009822183 [0,3,0,0,0,0|1,0,0]=4 32138 B12R0.114 CCCCCNC(C)C(C)CCC 270004a_100000209983_100011216282 [0,3,0,0,0,0|1,0,0]=4 32139 B12R0.114 CCCCCOC(C)C(=O)NCC 34a_100000210253_100000230173 [0,3,0,0,0,0|0,0,1]=4 32140 B12R0.114 CCCCCOC(C)C(=O)NCC 7a_100000210253_100000230173 [0,3,0,0,0,0|0,0,1]=4 32141 B12R0.114 CCCCCOC(C)C(=O)OCC 34a_100000210253_100011216346 [0,3,0,0,0,0|0,0,1]=4 32142 B12R0.114 CCCCCOC(C)C(=O)OCC 7a_100000210253_100011216346 [0,3,0,0,0,0|0,0,1]=4 32143 B12R0.114 CCCCCOC(C)C(C)CCC 34a_100000708338_100000718602 [0,3,0,0,0,0|0,0,0]=3 32144 B12R0.114 CCCCCOC(C)C(C)CCC 7a_100000708338_100000210326 [0,3,0,0,0,0|0,0,0]=3 32145 B12R0.114 CCCCCOC(F)C(=O)OCC 34a_100000210253_100000760018 [0,3,0,0,0,0|0,0,1]=4 32146 B12R0.114 CCCCCOC(F)C(=O)OCC 7a_100000210253_100000040065 [0,3,0,0,0,0|0,0,1]=4 32147 B12R0.114 CCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210326 [0,3,0,0,0,0|0,0,1]=4 32148 B12R0.114 CCCCOCC(=O)C(C)CCC 1458a_100000210906_100011995733 [0,3,0,0,0,0|0,0,0]=3 32149 B12R0.114 CCCCOCC(=O)C(C)CCC 1458a_100000757543_100000766640 [0,3,0,0,0,0|0,0,0]=3 32150 B12R0.114 CCCCOCC(=O)C(C)CCO 1458a_100000757543_100009893172 [0,3,0,0,0,0|0,0,1]=4 32151 B12R0.114 CCCCOCC(=O)C(C)COC 1458a_100000751857_100011995733 [0,3,0,0,0,0|0,0,1]=4 32152 B12R0.114 CCCCOCC(=O)C(C)COC 1458a_100000757543_100000765312 [0,3,0,0,0,0|0,0,1]=4 32153 B12R0.114 CCCCOCC(=O)C(C)CSC 1458a_100000753918_100011995733 [0,3,0,0,0,0|0,0,1]=4 32154 B12R0.114 CCCCOCC(=O)C(C)OCC 1458a_100000739345_100011995733 [0,3,0,0,0,0|0,0,1]=4 32155 B12R0.114 CCCCOCC(=O)C(C)SCC 1458a_100000230601_100011995733 [0,3,0,0,0,0|0,0,1]=4 32156 B12R0.114 CCCCOCC(=O)N(C)CCC 11a_100000747261_100000757543 [0,3,0,0,0,0|0,0,1]=4 32157 B12R0.114 CCCCOCC(=O)N(C)CCC 1626a_100000747261_100000757543 [0,3,0,0,0,0|0,0,1]=4 32158 B12R0.114 CCCCOCC(=O)N(C)CCC 240690a_100000747261_100000757543 [0,3,0,0,0,0|0,0,1]=4 32159 B12R0.114 CCCCOCC(=O)N(C)CCC 527a_100000747261_100000757543 [0,3,0,0,0,0|0,0,1]=4 32160 B12R0.114 CCCCOCC(=O)[C@@H](O)CCC 1458a_100009822183_100011995733 [0,3,0,0,0,0|0,0,0]=3 32161 B12R0.114 CCCCOCN(C)C(C)CCO 2230a_100000731037_100011995733 [0,3,0,0,0,0|1,0,0]=4 32162 B12R0.114 CCCCOCN(C)C(C)CCO 269982a_100000731037_100011995733 [0,3,0,0,0,0|1,0,0]=4 32163 B12R0.114 CCCCSCC(=O)C(C)CCC 1458a_100000191162_100000766640 [0,3,0,0,0,0|0,1,0]=4 32164 B12R0.114 CCCOCCC(=O)C(C)CCC 1458a_100000210906_100011215938 [0,3,0,0,0,0|1,0,0]=4 32165 B12R0.114 CCCOCCC(=O)[C@@H](O)CCC 1458a_100009822183_100011215938 [0,3,0,0,0,0|1,0,0]=4 32166 B12R0.114 CCC[C@H](O)C(=O)CCCCCF 1458a_100009822183_100000729378 [0,3,0,0,0,0|1,0,0]=4 32167 B12R0.114 CCC[C@H](O)C(=O)CCCCCO 1458a_100009822183_100000746330 [0,3,0,0,0,0|1,0,0]=4 32168 B12R0.114 CCC[C@H](O)C(=O)CCCCOC 1458a_100009822183_100000755781 [0,3,0,0,0,0|1,0,0]=4 32169 B12R0.114 CCC[C@H](O)C(=O)CCCOCC 1458a_100009822183_100012232248 [0,3,0,0,0,0|1,0,0]=4 32170 B12R0.121 C#CC(CCC)OCC/C=C\CC 34a_200011217317_100015370543 [0,3,0,0,0,0|0,0,1]=4 32171 B12R0.121 C#CC(CCC)OCC/C=C\CC 7a_200011217317_100015370543 [0,3,0,0,0,0|0,0,1]=4 32172 B12R0.121 C#CC(CCC)OCCCCC#N 7a_200011217317_100000211819 [0,3,0,0,0,0|0,0,1]=4 32173 B12R0.121 C#CC(CCC)OCCCCC=C 34a_200011217317_100011215482 [0,3,0,0,0,0|0,0,1]=4 32174 B12R0.121 C#CC(CCC)OCCCCC=C 7a_200011217317_100011215482 [0,3,0,0,0,0|0,0,1]=4 32175 B12R0.121 C#CC(CCC)OCCCCC=O 7a_200011217317_100000139335 [0,3,0,0,0,0|0,0,1]=4 32176 B12R0.121 C#CC(CCC)OCCCCCC 34a_200011217317_100000210314 [0,3,0,0,0,0|0,0,0]=3 32177 B12R0.121 C#CC(CCC)OCCCCCC 7a_200011217317_100000210314 [0,3,0,0,0,0|0,0,0]=3 32178 B12R0.121 C#CC(CCC)OCCCCCF 34a_200011217317_100000729378 [0,3,0,0,0,0|0,0,0]=3 32179 B12R0.121 C#CC(CCC)OCCCCCF 7a_200011217317_100000729378 [0,3,0,0,0,0|0,0,0]=3 32180 B12R0.121 C#CC(CCC)OCCCCCO 34a_200011217317_100000746330 [0,3,0,0,0,0|0,0,0]=3 32181 B12R0.121 C#CC(CCC)OCCCCCO 7a_200011217317_100000746330 [0,3,0,0,0,0|0,0,0]=3 32182 B12R0.121 C#CC(CCC)OCCCCOC 34a_200011217317_100000755781 [0,3,0,0,0,0|0,0,0]=3 32183 B12R0.121 C#CC(CCC)OCCCCOC 7a_200011217317_100000730899 [0,3,0,0,0,0|0,0,0]=3 32184 B12R0.121 C#CC(CCC)OCCCOCC 34a_200011217317_100012232248 [0,3,0,0,0,0|0,0,0]=3 32185 B12R0.121 C#CC(CCC)OCCCOCC 7a_200011217317_100012232248 [0,3,0,0,0,0|0,0,0]=3 32186 B12R0.121 C#CC(CCC)OCCOCCC 34a_200011217317_100011215938 [0,3,0,0,0,0|0,0,0]=3 32187 B12R0.121 C#CC(CCC)OCCOCCC 7a_200011217317_100011215938 [0,3,0,0,0,0|0,0,0]=3 32188 B12R0.121 C#CC(CCC)OCCOCCO 34a_200011217317_100000692535 [0,3,0,0,0,0|1,0,0]=4 32189 B12R0.121 C#CC(CCC)OCCOCCO 7a_200011217317_100011215305 [0,3,0,0,0,0|1,0,0]=4 32190 B12R0.121 C#CC(CCC)OCOCCCC 34a_200011217317_100011995733 [0,3,0,0,0,0|0,0,0]=3 32191 B12R0.121 C#CCC(CC)OCOCCCC 34a_200011217983_100011995733 [0,3,0,0,0,0|1,0,0]=4 32192 B12R0.121 C#CCCCCOC(C#C)CCC 34a_200011217317_100010269958 [0,3,0,0,0,0|0,0,1]=4 32193 B12R0.121 C#CCCCCOC(C#C)CCC 7a_200011217317_100010269958 [0,3,0,0,0,0|0,0,1]=4 32194 B12R0.121 C#CCCCCOC(C#N)CCC 34a_100000686963_100010269958 [0,3,0,0,0,0|0,0,1]=4 32195 B12R0.121 C#CCCCCOC(C#N)CCC 7a_100000686963_100010269958 [0,3,0,0,0,0|0,0,1]=4 32196 B12R0.121 C#CCCCCOC(C=C)CCC 34a_100011216692_100010269958 [0,3,0,0,0,0|0,0,1]=4 32197 B12R0.121 C#CCCCCOC(C=C)CCC 7a_100011216692_100010269958 [0,3,0,0,0,0|0,0,1]=4 32198 B12R0.121 C#CCCCCOC(CC)CCC 34a_100000687864_100010269958 [0,3,0,0,0,0|0,0,1]=4 32199 B12R0.121 C#CCCCCOC(CC)CCC 7a_100000687864_100010269958 [0,3,0,0,0,0|0,0,1]=4 32200 B12R0.121 C#CCCCCOC(CC)CCC 7a_100000766709_100011219200 [0,3,0,0,0,0|0,0,1]=4 32201 B12R0.121 C#CCN(CC)CCOCCCC 2230a_100000744766_100000743108 [0,3,0,0,0,0|1,0,0]=4 32202 B12R0.121 C#CCN(CC)CCOCCCC 269982a_100000744766_100000743108 [0,3,0,0,0,0|1,0,0]=4 32203 B12R0.121 C=CC(CCC)OCC/C=C\CC 34a_100011216692_100015370543 [0,3,0,0,0,0|0,0,1]=4 32204 B12R0.121 C=CC(CCC)OCC/C=C\CC 7a_100011216692_100015370543 [0,3,0,0,0,0|0,0,1]=4 32205 B12R0.121 C=CC(CCC)OCCCCC#N 7a_100011216692_100000211819 [0,3,0,0,0,0|0,0,1]=4 32206 B12R0.121 C=CC(CCC)OCCCCC=O 7a_100011216692_100000139335 [0,3,0,0,0,0|0,0,1]=4 32207 B12R0.121 C=CC(CCC)OCCCCCC 34a_100011216692_100000210314 [0,3,0,0,0,0|0,0,0]=3 32208 B12R0.121 C=CC(CCC)OCCCCCC 7a_100011216692_100000210314 [0,3,0,0,0,0|0,0,0]=3 32209 B12R0.121 C=CC(CCC)OCCCCCF 34a_100011216692_100000729378 [0,3,0,0,0,0|0,0,0]=3 32210 B12R0.121 C=CC(CCC)OCCCCCF 7a_100011216692_100000729378 [0,3,0,0,0,0|0,0,0]=3 32211 B12R0.121 C=CC(CCC)OCCCCCO 34a_100011216692_100000746330 [0,3,0,0,0,0|0,0,0]=3 32212 B12R0.121 C=CC(CCC)OCCCCCO 7a_100011216692_100000746330 [0,3,0,0,0,0|0,0,0]=3 32213 B12R0.121 C=CC(CCC)OCCCCOC 34a_100011216692_100000755781 [0,3,0,0,0,0|0,0,0]=3 32214 B12R0.121 C=CC(CCC)OCCCCOC 7a_100011216692_100000730899 [0,3,0,0,0,0|0,0,0]=3 32215 B12R0.121 C=CC(CCC)OCCCOCC 34a_100011216692_100012232248 [0,3,0,0,0,0|0,0,0]=3 32216 B12R0.121 C=CC(CCC)OCCCOCC 7a_100011216692_100012232248 [0,3,0,0,0,0|0,0,0]=3 32217 B12R0.121 C=CC(CCC)OCCOCCC 34a_100011216692_100011215938 [0,3,0,0,0,0|0,0,0]=3 32218 B12R0.121 C=CC(CCC)OCCOCCC 7a_100011216692_100011215938 [0,3,0,0,0,0|0,0,0]=3 32219 B12R0.121 C=CC(CCC)OCCOCCO 34a_100011216692_100000692535 [0,3,0,0,0,0|1,0,0]=4 32220 B12R0.121 C=CC(CCC)OCCOCCO 7a_100011216692_100011215305 [0,3,0,0,0,0|1,0,0]=4 32221 B12R0.121 C=CC(CCC)OCOCCCC 34a_100011216692_100011995733 [0,3,0,0,0,0|0,0,0]=3 32222 B12R0.121 C=CC(CCCCCCC)OCC 34a_200011934235_100000210202 [0,3,0,0,0,0|1,0,0]=4 32223 B12R0.121 C=CC(CCCCCCC)OCC 7a_200011934235_100000210202 [0,3,0,0,0,0|1,0,0]=4 32224 B12R0.121 C=CCCCCOC(C#N)CCC 34a_100000686963_100011215482 [0,3,0,0,0,0|0,0,1]=4 32225 B12R0.121 C=CCCCCOC(C#N)CCC 7a_100000686963_100011215482 [0,3,0,0,0,0|0,0,1]=4 32226 B12R0.121 C=CCCCCOC(C=C)CCC 34a_100011216692_100011215482 [0,3,0,0,0,0|0,0,1]=4 32227 B12R0.121 C=CCCCCOC(C=C)CCC 7a_100011216692_100011215482 [0,3,0,0,0,0|0,0,1]=4 32228 B12R0.121 C=CCCCCOC(CC)CCC 34a_100000687864_100011215482 [0,3,0,0,0,0|0,0,1]=4 32229 B12R0.121 C=CCCCCOC(CC)CCC 7a_100000687864_100011215482 [0,3,0,0,0,0|0,0,1]=4 32230 B12R0.121 C=CCCCCOC(CC)CCC 7a_100000766645_100011219200 [0,3,0,0,0,0|0,0,1]=4 32231 B12R0.121 CC#CC(CC)OCOCCCC 34a_200011219922_100011995733 [0,3,0,0,0,0|1,0,0]=4 32232 B12R0.121 CC/C=C\CCOC(C#N)CCC 34a_100000686963_100015370543 [0,3,0,0,0,0|0,0,1]=4 32233 B12R0.121 CC/C=C\CCOC(C#N)CCC 7a_100000686963_100015370543 [0,3,0,0,0,0|0,0,1]=4 32234 B12R0.121 CC/C=C\CCOC(CC)CCC 34a_100000687864_100015370543 [0,3,0,0,0,0|0,0,1]=4 32235 B12R0.121 CC/C=C\CCOC(CC)CCC 7a_100000687864_100015370543 [0,3,0,0,0,0|0,0,1]=4 32236 B12R0.121 CC/C=C\CCOC(CC)CCC 7a_100016288707_100011219200 [0,3,0,0,0,0|0,0,1]=4 32237 B12R0.121 CCC#CCCOC(CC)CCC 7a_100000036655_100011219200 [0,3,0,0,0,0|0,0,1]=4 32238 B12R0.121 CCC(COC)OCCCCCF 7a_200011214946_100000729378 [0,3,0,0,0,0|1,0,0]=4 32239 B12R0.121 CCC(COC)OCCCCCO 7a_200011214946_100000746330 [0,3,0,0,0,0|1,0,0]=4 32240 B12R0.121 CCC(COC)OCCCCOC 7a_200011214946_100000730899 [0,3,0,0,0,0|1,0,0]=4 32241 B12R0.121 CCC/C=C/COC(CC)CCC 7a_100016278788_100011219200 [0,3,0,0,0,0|0,0,1]=4 32242 B12R0.121 CCCC#CCOC(CC)CCC 7a_100000034806_100011219200 [0,3,0,0,0,0|0,0,1]=4 32243 B12R0.121 CCCC(C#N)OCCCCC#N 7a_100000686963_100000211819 [0,3,0,0,0,0|0,0,1]=4 32244 B12R0.121 CCCC(C#N)OCCCCC=O 7a_100000686963_100000139335 [0,3,0,0,0,0|0,0,1]=4 32245 B12R0.121 CCCC(C#N)OCCCCCF 34a_100000686963_100000729378 [0,3,0,0,0,0|0,0,0]=3 32246 B12R0.121 CCCC(C#N)OCCCCCF 7a_100000686963_100000729378 [0,3,0,0,0,0|0,0,0]=3 32247 B12R0.121 CCCC(C#N)OCCCCCO 34a_100000686963_100000746330 [0,3,0,0,0,0|0,0,0]=3 32248 B12R0.121 CCCC(C#N)OCCCCCO 7a_100000686963_100000746330 [0,3,0,0,0,0|0,0,0]=3 32249 B12R0.121 CCCC(C#N)OCCCCOC 34a_100000686963_100000755781 [0,3,0,0,0,0|0,0,0]=3 32250 B12R0.121 CCCC(C#N)OCCCCOC 7a_100000686963_100000730899 [0,3,0,0,0,0|0,0,0]=3 32251 B12R0.121 CCCC(C#N)OCCCOCC 34a_100000686963_100012232248 [0,3,0,0,0,0|0,0,0]=3 32252 B12R0.121 CCCC(C#N)OCCCOCC 7a_100000686963_100012232248 [0,3,0,0,0,0|0,0,0]=3 32253 B12R0.121 CCCC(C#N)OCCOCCO 34a_100000686963_100000692535 [0,3,0,0,0,0|1,0,0]=4 32254 B12R0.121 CCCC(C#N)OCCOCCO 7a_100000686963_100011215305 [0,3,0,0,0,0|1,0,0]=4 32255 B12R0.121 CCCC(CC)NCCCCCF 2230a_100000747048_100000729378 [0,3,0,0,0,0|1,0,0]=4 32256 B12R0.121 CCCC(CC)NCCCCCO 2230a_100000747048_100000746330 [0,3,0,0,0,0|1,0,0]=4 32257 B12R0.121 CCCC(CC)NCCCCCO 270004a_100000762737_100000687865 [0,3,0,0,0,0|1,0,0]=4 32258 B12R0.121 CCCC(CC)NCCCCOC 2230a_100000747048_100000730899 [0,3,0,0,0,0|1,0,0]=4 32259 B12R0.121 CCCC(CC)NCCCOCC 2230a_100000747048_100012232248 [0,3,0,0,0,0|1,0,0]=4 32260 B12R0.121 CCCC(CC)NCCCOCC 270004a_100000210961_100000687865 [0,3,0,0,0,0|1,0,0]=4 32261 B12R0.121 CCCC(CC)NCOCCOC 2230a_100000747048_100000231047 [0,3,0,0,0,0|1,0,0]=4 32262 B12R0.121 CCCC(CC)OCCCCC#N 7a_100000687864_100000211819 [0,3,0,0,0,0|0,0,1]=4 32263 B12R0.121 CCCC(CC)OCCCCC=O 7a_100000687864_100000139335 [0,3,0,0,0,0|0,0,1]=4 32264 B12R0.121 CCCC(CC)OCCCCCBr 7a_100000746331_100011219200 [0,3,0,0,0,0|0,0,0]=3 32265 B12R0.121 CCCC(CC)OCCCCCCl 7a_100000746330_100011219200 [0,3,0,0,0,0|0,0,0]=3 32266 B12R0.121 CCCC(CC)OCCCCCF 34a_100000687864_100000729378 [0,3,0,0,0,0|0,0,0]=3 32267 B12R0.121 CCCC(CC)OCCCCCF 7a_100000687864_100000729378 [0,3,0,0,0,0|0,0,0]=3 32268 B12R0.121 CCCC(CC)OCCCCCI 7a_200012148887_100011219200 [0,3,0,0,0,0|0,0,0]=3 32269 B12R0.121 CCCC(CC)OCCCCCO 34a_100000687864_100000746330 [0,3,0,0,0,0|0,0,0]=3 32270 B12R0.121 CCCC(CC)OCCCCCO 7a_100000687864_100000746330 [0,3,0,0,0,0|0,0,0]=3 32271 B12R0.121 CCCC(CC)OCCCCOC 34a_100000687864_100000755781 [0,3,0,0,0,0|0,0,0]=3 32272 B12R0.121 CCCC(CC)OCCCCOC 7a_100000687864_100000730899 [0,3,0,0,0,0|0,0,0]=3 32273 B12R0.121 CCCC(CC)OCCCCSC 7a_100011217163_100011219200 [0,3,0,0,0,0|0,0,0]=3 32274 B12R0.121 CCCC(CC)OCCCOCC 34a_100000687864_100012232248 [0,3,0,0,0,0|0,0,0]=3 32275 B12R0.121 CCCC(CC)OCCCOCC 7a_100000687864_100012232248 [0,3,0,0,0,0|0,0,0]=3 32276 B12R0.121 CCCC(CC)OCCCOCC 7a_100000757476_100011219200 [0,3,0,0,0,0|0,0,0]=3 32277 B12R0.121 CCCC(CC)OCCCSCC 7a_100011216438_100011219200 [0,3,0,0,0,0|0,0,0]=3 32278 B12R0.121 CCCC(CC)OCCOCCBr 7a_100000692535_100011219200 [0,3,0,0,0,0|1,0,0]=4 32279 B12R0.121 CCCC(CC)OCCOCCCl 7a_100011215305_100011219200 [0,3,0,0,0,0|1,0,0]=4 32280 B12R0.121 CCCC(CC)OCCOCCF 7a_200015357709_100011219200 [0,3,0,0,0,0|1,0,0]=4 32281 B12R0.121 CCCC(CC)OCCOCCI 7a_100012149058_100011219200 [0,3,0,0,0,0|1,0,0]=4 32282 B12R0.121 CCCC(CC)OCCOCCO 34a_100000687864_100000692535 [0,3,0,0,0,0|1,0,0]=4 32283 B12R0.121 CCCC(CC)OCCOCCO 7a_100000687864_100011215305 [0,3,0,0,0,0|1,0,0]=4 32284 B12R0.121 CCCC(CC)SCCCCCF 62a_100000729378_100011219200 [0,3,0,0,0,0|0,1,0]=4 32285 B12R0.121 CCCC(CC)SCCCCCF 62a_100011219200_100000729378 [0,3,0,0,0,0|0,1,0]=4 32286 B12R0.121 CCCC(CC)SCCCCCO 62a_100000746330_100011219200 [0,3,0,0,0,0|0,1,0]=4 32287 B12R0.121 CCCC(CC)SCCCCCO 62a_100011219200_100000746330 [0,3,0,0,0,0|0,1,0]=4 32288 B12R0.121 CCCC(CC)SCCCCOC 62a_100000730899_100011219200 [0,3,0,0,0,0|0,1,0]=4 32289 B12R0.121 CCCC(CC)SCCCCOC 62a_100011219200_100000730899 [0,3,0,0,0,0|0,1,0]=4 32290 B12R0.121 CCCC(CC)SCCCOCC 62a_100011219200_100012232248 [0,3,0,0,0,0|0,1,0]=4 32291 B12R0.121 CCCC(CC)SCCCOCC 62a_100012232248_100011219200 [0,3,0,0,0,0|0,1,0]=4 32292 B12R0.121 CCCC(CC)SCOCCOC 62a_100000231047_100011219200 [0,3,0,0,0,0|1,0,0]=4 32293 B12R0.121 CCCC(CC)SCOCCOC 62a_100011219200_100000231047 [0,3,0,0,0,0|1,0,0]=4 32294 B12R0.121 CCCC(CCOCCCF)SC 34a_100000032865_100011934791 [0,3,0,0,0,0|1,0,0]=4 32295 B12R0.121 CCCC(CCOCCCF)SC 7a_100000032865_100011934791 [0,3,0,0,0,0|1,0,0]=4 32296 B12R0.121 CCCC(CCOCCCO)SC 34a_100000032865_100000230001 [0,3,0,0,0,0|1,0,0]=4 32297 B12R0.121 CCCC(CCOCCCO)SC 7a_100000032865_100011215043 [0,3,0,0,0,0|1,0,0]=4 32298 B12R0.121 CCCC(CCOCCOC)SC 34a_100000032865_100011201679 [0,3,0,0,0,0|1,0,0]=4 32299 B12R0.121 CCCC(CCOCCOC)SC 7a_100000032865_100000233755 [0,3,0,0,0,0|1,0,0]=4 32300 B12R0.121 CCCC(CCOCCSC)SC 34a_100000032865_100000212216 [0,3,0,0,0,0|1,0,0]=4 32301 B12R0.121 CCCC(CCOCCSC)SC 7a_100000032865_100000212216 [0,3,0,0,0,0|1,0,0]=4 32302 B12R0.121 CCCCCCCC(CC)NCC 270004a_100015525214_200011217162 [0,3,0,0,0,0|1,0,0]=4 32303 B12R0.121 CCCCCCCC(CC)OCC 34a_200011217053_100000210202 [0,3,0,0,0,0|1,0,0]=4 32304 B12R0.121 CCCCCCCC(CC)OCC 7a_200011217053_100000210202 [0,3,0,0,0,0|1,0,0]=4 32305 B12R0.121 CCCCCCCC(CC)OCF 34a_200011217053_100015361967 [0,3,0,0,0,0|1,0,0]=4 32306 B12R0.121 CCCCCCCC(CC)OCF 7a_200011217053_100015361967 [0,3,0,0,0,0|1,0,0]=4 32307 B12R0.121 CCCCCCCC(CCC)NC 270004a_106832991635_200011216337 [0,3,0,0,0,0|1,0,0]=4 32308 B12R0.121 CCCCCCCN(CC)CCC 2230a_100000226822_100000210681 [0,3,0,0,0,0|1,0,0]=4 32309 B12R0.121 CCCCCCCN(CC)CCC 2230a_100000228213_100000210303 [0,3,0,0,0,0|1,0,0]=4 32310 B12R0.121 CCCCCCCN(CC)CCC 269982a_100000226822_100000210681 [0,3,0,0,0,0|1,0,0]=4 32311 B12R0.121 CCCCCCCN(CC)CCC 269982a_100000228213_100000210303 [0,3,0,0,0,0|1,0,0]=4 32312 B12R0.121 CCCCCCNC(CC)CCC 2230a_100000747048_100000210314 [0,3,0,0,0,0|1,0,0]=4 32313 B12R0.121 CCCCCCNC(CC)CCC 270004a_100000210581_100000687865 [0,3,0,0,0,0|1,0,0]=4 32314 B12R0.121 CCCCCCN[C@H](CO)CCC 2230a_100000732646_100000210314 [0,3,0,0,0,0|1,0,0]=4 32315 B12R0.121 CCCCCCN[C@H](CO)CCC 34a_100000732646_100000210314 [0,3,0,0,0,0|1,0,0]=4 32316 B12R0.121 CCCCCCOC(C#N)CCC 34a_100000686963_100000210314 [0,3,0,0,0,0|0,0,0]=3 32317 B12R0.121 CCCCCCOC(C#N)CCC 7a_100000686963_100000210314 [0,3,0,0,0,0|0,0,0]=3 32318 B12R0.121 CCCCCCOC(CC)CCC 34a_100000687864_100000210314 [0,3,0,0,0,0|0,0,0]=3 32319 B12R0.121 CCCCCCOC(CC)CCC 7a_100000210259_100011219200 [0,3,0,0,0,0|0,0,0]=3 32320 B12R0.121 CCCCCCOC(CC)CCC 7a_100000687864_100000210314 [0,3,0,0,0,0|0,0,0]=3 32321 B12R0.121 CCCCCCOC(CC)COC 7a_200011214946_100000210314 [0,3,0,0,0,0|1,0,0]=4 32322 B12R0.121 CCCCCCOC(CCl)COC 34a_100011215053_100000210314 [0,3,0,0,0,0|1,0,0]=4 32323 B12R0.121 CCCCCCOC(CN)COC 34a_100000756049_100000210314 [0,3,0,0,0,0|1,0,0]=4 32324 B12R0.121 CCCCCCSC(CC)CCC 62a_100000210314_100011219200 [0,3,0,0,0,0|0,1,0]=4 32325 B12R0.121 CCCCCCSC(CC)CCC 62a_100011219200_100000210757 [0,3,0,0,0,0|0,1,0]=4 32326 B12R0.121 CCCCCNCC(CC)OCC 2230a_100015183923_100000210326 [0,3,0,0,0,0|1,0,0]=4 32327 B12R0.121 CCCCCNCC(CC)OCC 34a_100015183923_100000718602 [0,3,0,0,0,0|1,0,0]=4 32328 B12R0.121 CCCCOCCC(CCC)SC 34a_100000032865_100000210210 [0,3,0,0,0,0|0,0,0]=3 32329 B12R0.121 CCCCOCCC(CCC)SC 7a_100000032865_100000210211 [0,3,0,0,0,0|0,0,0]=3 32330 B12R0.121 CCCCOCCN(CC)CCC 2230a_100000226822_100000743108 [0,3,0,0,0,0|0,0,0]=3 32331 B12R0.121 CCCCOCCN(CC)CCC 269982a_100000226822_100000743108 [0,3,0,0,0,0|0,0,0]=3 32332 B12R0.121 CCCCOCCN(CC)CCO 2230a_100000210973_100000743108 [0,3,0,0,0,0|1,0,0]=4 32333 B12R0.121 CCCCOCCN(CC)CCO 269982a_100000210973_100000743108 [0,3,0,0,0,0|1,0,0]=4 32334 B12R0.121 CCCCOCNC(CC)CCC 2230a_100000747048_100011995733 [0,3,0,0,0,0|0,0,0]=3 32335 B12R0.121 CCCCOCNC(CC)COC 2230a_100000757820_100011995733 [0,3,0,0,0,0|1,0,0]=4 32336 B12R0.121 CCCCOCNC(CO)COC 2230a_100000724102_100011995733 [0,3,0,0,0,0|1,0,0]=4 32337 B12R0.121 CCCCOCNC(CO)COC 34a_100000724102_100011995733 [0,3,0,0,0,0|1,0,0]=4 32338 B12R0.121 CCCCOCN[C@H](CC)CC#N 2230a_200009818565_100011995733 [0,3,0,0,0,0|1,0,0]=4 32339 B12R0.121 CCCCOCN[C@H](CO)CCC 2230a_100000732646_100011995733 [0,3,0,0,0,0|0,0,0]=3 32340 B12R0.121 CCCCOCN[C@H](CO)CCC 34a_100000732646_100011995733 [0,3,0,0,0,0|0,0,0]=3 32341 B12R0.121 CCCCOCOC(C#N)CCC 34a_100000686963_100011995733 [0,3,0,0,0,0|0,0,0]=3 32342 B12R0.121 CCCCOCOC(CC)CCC 34a_100000687864_100011995733 [0,3,0,0,0,0|0,0,0]=3 32343 B12R0.121 CCCCOCOC(CCl)COC 34a_100011215053_100011995733 [0,3,0,0,0,0|1,0,0]=4 32344 B12R0.121 CCCCOCOC(CN)COC 34a_100000756049_100011995733 [0,3,0,0,0,0|1,0,0]=4 32345 B12R0.121 CCCCOCSC(CC)CCC 62a_100011219200_100011995733 [0,3,0,0,0,0|0,0,0]=3 32346 B12R0.121 CCCCOCSC(CC)CCC 62a_100011995733_100011219200 [0,3,0,0,0,0|0,0,0]=3 32347 B12R0.121 CCCN(CC)CCOCCOC 2230a_100000226822_100000695917 [0,3,0,0,0,0|1,0,0]=4 32348 B12R0.121 CCCN(CC)CCOCCOC 269982a_100000226822_100000695917 [0,3,0,0,0,0|1,0,0]=4 32349 B12R0.121 CCCOCCNC(CC)CCC 2230a_100000747048_100011215938 [0,3,0,0,0,0|1,0,0]=4 32350 B12R0.121 CCCOCCNC(CC)CCC 270004a_100161115042_100000687865 [0,3,0,0,0,0|1,0,0]=4 32351 B12R0.121 CCCOCCN[C@H](CO)CCC 2230a_100000732646_100011215938 [0,3,0,0,0,0|1,0,0]=4 32352 B12R0.121 CCCOCCN[C@H](CO)CCC 34a_100000732646_100011215938 [0,3,0,0,0,0|1,0,0]=4 32353 B12R0.121 CCCOCCOC(C#N)CCC 34a_100000686963_100011215938 [0,3,0,0,0,0|0,0,0]=3 32354 B12R0.121 CCCOCCOC(C#N)CCC 7a_100000686963_100011215938 [0,3,0,0,0,0|0,0,0]=3 32355 B12R0.121 CCCOCCOC(CC)CCC 34a_100000687864_100011215938 [0,3,0,0,0,0|0,0,0]=3 32356 B12R0.121 CCCOCCOC(CC)CCC 7a_100000687864_100011215938 [0,3,0,0,0,0|0,0,0]=3 32357 B12R0.121 CCCOCCOC(CC)CCC 7a_100000752267_100011219200 [0,3,0,0,0,0|0,0,0]=3 32358 B12R0.121 CCCOCCOC(CC)COC 7a_200011214946_100011215938 [0,3,0,0,0,0|1,0,0]=4 32359 B12R0.121 CCCOCCOC(CCl)COC 34a_100011215053_100011215938 [0,3,0,0,0,0|1,0,0]=4 32360 B12R0.121 CCCOCCOC(CN)COC 34a_100000756049_100011215938 [0,3,0,0,0,0|1,0,0]=4 32361 B12R0.121 CCCOCCSC(CC)CCC 62a_100011215938_100011219200 [0,3,0,0,0,0|0,1,0]=4 32362 B12R0.121 CCCOCCSC(CC)CCC 62a_100011219200_100011215938 [0,3,0,0,0,0|0,1,0]=4 32363 B12R0.121 CCCSCCNC(CC)CCC 270004a_100020603323_100000687865 [0,3,0,0,0,0|1,0,0]=4 32364 B12R0.121 CCCSCCOC(CC)CCC 7a_200000230433_100011219200 [0,3,0,0,0,0|0,0,0]=3 32365 B12R0.121 CCC[C@@H](CO)NCCCCCF 2230a_100000732646_100000729378 [0,3,0,0,0,0|1,0,0]=4 32366 B12R0.121 CCC[C@@H](CO)NCCCCCF 34a_100000732646_100000729378 [0,3,0,0,0,0|1,0,0]=4 32367 B12R0.121 CCC[C@@H](CO)NCCCCCO 2230a_100000732646_100000746330 [0,3,0,0,0,0|1,0,0]=4 32368 B12R0.121 CCC[C@@H](CO)NCCCCCO 34a_100000732646_100000746330 [0,3,0,0,0,0|1,0,0]=4 32369 B12R0.121 CCC[C@@H](CO)NCCCCOC 2230a_100000732646_100000730899 [0,3,0,0,0,0|1,0,0]=4 32370 B12R0.121 CCC[C@@H](CO)NCCCCOC 34a_100000732646_100000755781 [0,3,0,0,0,0|1,0,0]=4 32371 B12R0.121 CCC[C@@H](CO)NCCCOCC 2230a_100000732646_100012232248 [0,3,0,0,0,0|1,0,0]=4 32372 B12R0.121 CCC[C@@H](CO)NCCCOCC 34a_100000732646_100012232248 [0,3,0,0,0,0|1,0,0]=4 32373 B12R0.121 CCC[C@@H](CO)NCOCCOC 2230a_100000732646_100000231047 [0,3,0,0,0,0|1,0,0]=4 32374 B12R0.121 CCOCCCOC(CC)COC 7a_200011214946_100012232248 [0,3,0,0,0,0|1,0,0]=4 32375 B12R0.121 CCOCCCOC(CCl)COC 34a_100011215053_100012232248 [0,3,0,0,0,0|1,0,0]=4 32376 B12R0.121 CCOCCCOC(CN)COC 34a_100000756049_100012232248 [0,3,0,0,0,0|1,0,0]=4 32377 B12R0.121 COCC(CCl)OCCCCCF 34a_100011215053_100000729378 [0,3,0,0,0,0|1,0,0]=4 32378 B12R0.121 COCC(CCl)OCCCCCO 34a_100011215053_100000746330 [0,3,0,0,0,0|1,0,0]=4 32379 B12R0.121 COCC(CN)OCCCCCF 34a_100000756049_100000729378 [0,3,0,0,0,0|1,0,0]=4 32380 B12R0.121 COCC(CN)OCCCCCO 34a_100000756049_100000746330 [0,3,0,0,0,0|1,0,0]=4 32381 B12R0.121 COCCCCOC(CCl)COC 34a_100011215053_100000755781 [0,3,0,0,0,0|1,0,0]=4 32382 B12R0.121 COCCCCOC(CN)COC 34a_100000756049_100000755781 [0,3,0,0,0,0|1,0,0]=4 32383 B12R0.206 C#CCCC(=O)CCOCCCC 1458a_100000692101_100000743108 [0,3,0,0,0,0|0,0,1]=4 32384 B12R0.206 C#CCCC(=O)CCOCCCC 34a_100011064465_100000210210 [0,3,0,0,0,0|0,0,1]=4 32385 B12R0.206 C#CCCC(=O)CCOCCCC 7a_100011064465_100000210211 [0,3,0,0,0,0|0,0,1]=4 32386 B12R0.206 C#CCCCCCC(=O)CCCC 1458a_100000210183_100012094781 [0,3,0,0,0,0|1,0,0]=4 32387 B12R0.206 C#CCCCCCC(=O)CCCC 1458a_100000694772_100000210211 [0,3,0,0,0,0|1,0,0]=4 32388 B12R0.206 C#CCCCCCN(C)CCCC 2230a_100000207549_100012094781 [0,3,0,0,0,0|1,0,0]=4 32389 B12R0.206 C#CCCCCCN(C)CCCC 269982a_100000207549_100012094781 [0,3,0,0,0,0|1,0,0]=4 32390 B12R0.206 C#CCCCCNC(C)CCCC 2230a_100000126638_100010269958 [0,3,0,0,0,0|1,0,0]=4 32391 B12R0.206 C#CCCCCNC(C)CCCC 2230a_100000706060_200011215066 [0,3,0,0,0,0|1,0,0]=4 32392 B12R0.206 C#CCCCCNC(C)CCCC 34a_100000706060_200011215066 [0,3,0,0,0,0|1,0,0]=4 32393 B12R0.206 C#CCCCCOC(C)CCCC 34a_100000687866_100010269958 [0,3,0,0,0,0|0,0,0]=3 32394 B12R0.206 C#CCCCCOC(C)CCCC 34a_100000766709_200011215066 [0,3,0,0,0,0|0,0,0]=3 32395 B12R0.206 C#CCCCCOC(C)CCCC 7a_100000687866_100010269958 [0,3,0,0,0,0|0,0,0]=3 32396 B12R0.206 C#CCCCCOC(C)CCCC 7a_100000766709_200011215066 [0,3,0,0,0,0|0,0,0]=3 32397 B12R0.206 C#CCCCCOC(C)CCCCl 34a_200000718107_100010269958 [0,3,0,0,0,0|0,0,1]=4 32398 B12R0.206 C#CCCCCOC(C)CCCCl 7a_200000718107_100010269958 [0,3,0,0,0,0|0,0,1]=4 32399 B12R0.206 C#CCCCCOC(C)COCC 34a_100000718985_100010269958 [0,3,0,0,0,0|0,0,1]=4 32400 B12R0.206 C#CCCCCOC(C)COCC 7a_100000718985_100010269958 [0,3,0,0,0,0|0,0,1]=4 32401 B12R0.206 C#CCCCCSC(C)CCCC 62a_100010269958_200011215066 [0,3,0,0,0,0|0,1,0]=4 32402 B12R0.206 C#CCCCCSC(C)CCCC 62a_200011215066_100010269958 [0,3,0,0,0,0|0,1,0]=4 32403 B12R0.206 C#CCCCOCC(C)CCCC 34a_100011995851_100000695029 [0,3,0,0,0,0|0,0,1]=4 32404 B12R0.206 C#CCCCOCC(C)CCCC 7a_100011995851_100011215417 [0,3,0,0,0,0|0,0,1]=4 32405 B12R0.206 C#CCCCOC[C@@H](N)CCCC 34a_100011934283_100000695029 [0,3,0,0,0,0|0,0,1]=4 32406 B12R0.206 C#CCCCOC[C@@H](N)CCSC 34a_100011827619_100000695029 [0,3,0,0,0,0|0,0,1]=4 32407 B12R0.206 C#CCOC(C)COCCCCC 34a_200000093152_100000718602 [0,3,0,0,0,0|0,0,1]=4 32408 B12R0.206 C#CCOC(C)COCCCCC 7a_200000093152_100000210326 [0,3,0,0,0,0|0,0,1]=4 32409 B12R0.206 C#CCOCCOC(C)CCCC 34a_100000054580_200011215066 [0,3,0,0,0,0|0,0,1]=4 32410 B12R0.206 C#CCOCCOC(C)CCCC 34a_100000687866_100010402529 [0,3,0,0,0,0|0,0,1]=4 32411 B12R0.206 C#CCOCCOC(C)CCCC 7a_100000054580_200011215066 [0,3,0,0,0,0|0,0,1]=4 32412 B12R0.206 C#CCOCCOC(C)CCCC 7a_100000687866_100010402529 [0,3,0,0,0,0|0,0,1]=4 32413 B12R0.206 C=C(COCCCCC)OCOC 34a_100000210253_100000042856 [0,3,0,0,0,0|0,0,1]=4 32414 B12R0.206 C=CCCC(=O)CCOCCCC 1458a_100000749702_100000743108 [0,3,0,0,0,0|0,0,1]=4 32415 B12R0.206 C=CCCC(C)OCCCCCC 34a_100000765329_100000210314 [0,3,0,0,0,0|0,0,1]=4 32416 B12R0.206 C=CCCC(C)OCCCCCC 7a_100000765329_100000210314 [0,3,0,0,0,0|0,0,1]=4 32417 B12R0.206 C=CCCC(C)OCCCCCF 34a_100000765329_100000729378 [0,3,0,0,0,0|0,0,1]=4 32418 B12R0.206 C=CCCC(C)OCCCCCF 7a_100000765329_100000729378 [0,3,0,0,0,0|0,0,1]=4 32419 B12R0.206 C=CCCC(C)OCCCCCO 34a_100000765329_100000746330 [0,3,0,0,0,0|0,0,1]=4 32420 B12R0.206 C=CCCC(C)OCCCCCO 7a_100000765329_100000746330 [0,3,0,0,0,0|0,0,1]=4 32421 B12R0.206 C=CCCC(C)OCCCCOC 34a_100000765329_100000755781 [0,3,0,0,0,0|0,0,1]=4 32422 B12R0.206 C=CCCC(C)OCCCCOC 7a_100000765329_100000730899 [0,3,0,0,0,0|0,0,1]=4 32423 B12R0.206 C=CCCC(C)OCCCOCC 34a_100000765329_100012232248 [0,3,0,0,0,0|0,0,1]=4 32424 B12R0.206 C=CCCC(C)OCCCOCC 7a_100000765329_100012232248 [0,3,0,0,0,0|0,0,1]=4 32425 B12R0.206 C=CCCC(C)OCCOCCC 34a_100000765329_100011215938 [0,3,0,0,0,0|0,0,1]=4 32426 B12R0.206 C=CCCC(C)OCCOCCC 7a_100000765329_100011215938 [0,3,0,0,0,0|0,0,1]=4 32427 B12R0.206 C=CCCC(C)OCOCCCC 34a_100000765329_100011995733 [0,3,0,0,0,0|0,0,1]=4 32428 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100000210183_100000700193 [0,3,0,0,0,0|1,0,0]=4 32429 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100011934241_100000210211 [0,3,0,0,0,0|1,0,0]=4 32430 B12R0.206 C=CCCCCCN(C)CCCC 2230a_100000207549_100000700193 [0,3,0,0,0,0|1,0,0]=4 32431 B12R0.206 C=CCCCCCN(C)CCCC 269982a_100000207549_100000700193 [0,3,0,0,0,0|1,0,0]=4 32432 B12R0.206 C=CCCCCNC(C)CCCC 2230a_100000126638_100011215482 [0,3,0,0,0,0|1,0,0]=4 32433 B12R0.206 C=CCCCCNC(C)CCCC 2230a_100000703577_200011215066 [0,3,0,0,0,0|1,0,0]=4 32434 B12R0.206 C=CCCCCNC(C)CCCC 270004a_100000703577_100000210087 [0,3,0,0,0,0|1,0,0]=4 32435 B12R0.206 C=CCCCCNC(C)CCCC 34a_100000703577_200011215066 [0,3,0,0,0,0|1,0,0]=4 32436 B12R0.206 C=CCCCCOC(C)CCCC 34a_100000687866_100011215482 [0,3,0,0,0,0|0,0,0]=3 32437 B12R0.206 C=CCCCCOC(C)CCCC 34a_100000766645_200011215066 [0,3,0,0,0,0|0,0,0]=3 32438 B12R0.206 C=CCCCCOC(C)CCCC 7a_100000687866_100011215482 [0,3,0,0,0,0|0,0,0]=3 32439 B12R0.206 C=CCCCCOC(C)CCCC 7a_100000766645_200011215066 [0,3,0,0,0,0|0,0,0]=3 32440 B12R0.206 C=CCCCCOC(C)CCCCl 34a_200000718107_100011215482 [0,3,0,0,0,0|0,0,1]=4 32441 B12R0.206 C=CCCCCOC(C)CCCCl 7a_200000718107_100011215482 [0,3,0,0,0,0|0,0,1]=4 32442 B12R0.206 C=CCCCCOC(C)COCC 34a_100000718985_100011215482 [0,3,0,0,0,0|0,0,1]=4 32443 B12R0.206 C=CCCCCOC(C)COCC 7a_100000718985_100011215482 [0,3,0,0,0,0|0,0,1]=4 32444 B12R0.206 C=CCCCCSC(C)CCCC 62a_100011215482_200011215066 [0,3,0,0,0,0|0,1,0]=4 32445 B12R0.206 C=CCCCCSC(C)CCCC 62a_200011215066_100011215482 [0,3,0,0,0,0|0,1,0]=4 32446 B12R0.206 C=CCCCOCC(C)CCCC 34a_100011995851_100000757094 [0,3,0,0,0,0|0,0,1]=4 32447 B12R0.206 C=CCCCOCC(C)CCCC 7a_100011995851_100000757094 [0,3,0,0,0,0|0,0,1]=4 32448 B12R0.206 C=CCCCOC[C@@H](N)CCCC 34a_100011934283_100000757094 [0,3,0,0,0,0|0,0,1]=4 32449 B12R0.206 C=CCCCOC[C@@H](N)CCSC 34a_100011827619_100000757094 [0,3,0,0,0,0|0,0,1]=4 32450 B12R0.206 C=CCCN(C)CCOCCCC 2230a_100020639649_100000743108 [0,3,0,0,0,0|0,0,1]=4 32451 B12R0.206 C=CCCN(C)CCOCCCC 269982a_100020639649_100000743108 [0,3,0,0,0,0|0,0,1]=4 32452 B12R0.206 C=CCOCCOC(C)CCCC 34a_100000037705_200011215066 [0,3,0,0,0,0|0,0,1]=4 32453 B12R0.206 C=CCOCCOC(C)CCCC 7a_100000037705_200011215066 [0,3,0,0,0,0|0,0,1]=4 32454 B12R0.206 CC(CCCCl)OCCCCC#N 7a_200000718107_100000211819 [0,3,0,0,0,0|0,0,1]=4 32455 B12R0.206 CC(CCCCl)OCCCCC=O 7a_200000718107_100000139335 [0,3,0,0,0,0|0,0,1]=4 32456 B12R0.206 CC(CCCCl)OCCCCCF 34a_200000718107_100000729378 [0,3,0,0,0,0|0,0,0]=3 32457 B12R0.206 CC(CCCCl)OCCCCCF 7a_200000718107_100000729378 [0,3,0,0,0,0|0,0,0]=3 32458 B12R0.206 CC(CCCCl)OCCCCCO 34a_200000718107_100000746330 [0,3,0,0,0,0|0,0,0]=3 32459 B12R0.206 CC(CCCCl)OCCCCCO 7a_200000718107_100000746330 [0,3,0,0,0,0|0,0,0]=3 32460 B12R0.206 CC(CCCCl)OCCOCCO 34a_200000718107_100000692535 [0,3,0,0,0,0|1,0,0]=4 32461 B12R0.206 CC(CCCCl)OCCOCCO 7a_200000718107_100011215305 [0,3,0,0,0,0|1,0,0]=4 32462 B12R0.206 CC/C=C\CCNC(C)CCCC 2230a_100000126638_100015370543 [0,3,0,0,0,0|1,0,0]=4 32463 B12R0.206 CC/C=C\CCOC(C)CCCC 34a_100000687866_100015370543 [0,3,0,0,0,0|0,0,0]=3 32464 B12R0.206 CC/C=C\CCOC(C)CCCC 34a_100016288707_200011215066 [0,3,0,0,0,0|0,0,0]=3 32465 B12R0.206 CC/C=C\CCOC(C)CCCC 7a_100000687866_100015370543 [0,3,0,0,0,0|0,0,0]=3 32466 B12R0.206 CC/C=C\CCOC(C)CCCC 7a_100016288707_200011215066 [0,3,0,0,0,0|0,0,0]=3 32467 B12R0.206 CC/C=C\CCOC(C)CCCCl 34a_200000718107_100015370543 [0,3,0,0,0,0|0,0,1]=4 32468 B12R0.206 CC/C=C\CCOC(C)CCCCl 7a_200000718107_100015370543 [0,3,0,0,0,0|0,0,1]=4 32469 B12R0.206 CC/C=C\CCOC(C)COCC 34a_100000718985_100015370543 [0,3,0,0,0,0|0,0,1]=4 32470 B12R0.206 CC/C=C\CCOC(C)COCC 7a_100000718985_100015370543 [0,3,0,0,0,0|0,0,1]=4 32471 B12R0.206 CC/C=C\CCSC(C)CCCC 62a_100015370543_200011215066 [0,3,0,0,0,0|0,1,0]=4 32472 B12R0.206 CC/C=C\CCSC(C)CCCC 62a_200011215066_100015370543 [0,3,0,0,0,0|0,1,0]=4 32473 B12R0.206 CC/C=C\COCC(C)CCCC 34a_100011995851_100103147603 [0,3,0,0,0,0|0,0,1]=4 32474 B12R0.206 CC/C=C\COCC(C)CCCC 7a_100011995851_100103147603 [0,3,0,0,0,0|0,0,1]=4 32475 B12R0.206 CC/C=C\COC[C@@H](N)CCCC 34a_100011934283_100103147603 [0,3,0,0,0,0|0,0,1]=4 32476 B12R0.206 CC/C=C\COC[C@@H](N)CCSC 34a_100011827619_100103147603 [0,3,0,0,0,0|0,0,1]=4 32477 B12R0.206 CC=C=CCCOC(C)CCCC 34a_100011020354_200011215066 [0,3,0,0,0,0|0,0,1]=4 32478 B12R0.206 CC=CCC(=O)CCOCCCC 1458a_100121576822_100000743108 [0,3,0,0,0,0|0,0,1]=4 32479 B12R0.206 CC=CCCCOC(C)CCCC 34a_100020645299_200011215066 [0,3,0,0,0,0|0,0,0]=3 32480 B12R0.206 CCC#CC(=O)CCOCCCC 1458a_100011827653_100000743108 [0,3,0,0,0,0|0,0,1]=4 32481 B12R0.206 CCC#CC(C)OCCCCCC 34a_100000033903_100000210314 [0,3,0,0,0,0|0,0,1]=4 32482 B12R0.206 CCC#CC(C)OCCCCCC 7a_100000033903_100000210314 [0,3,0,0,0,0|0,0,1]=4 32483 B12R0.206 CCC#CC(C)OCCCCCF 34a_100000033903_100000729378 [0,3,0,0,0,0|0,0,1]=4 32484 B12R0.206 CCC#CC(C)OCCCCCF 7a_100000033903_100000729378 [0,3,0,0,0,0|0,0,1]=4 32485 B12R0.206 CCC#CC(C)OCCCCCO 34a_100000033903_100000746330 [0,3,0,0,0,0|0,0,1]=4 32486 B12R0.206 CCC#CC(C)OCCCCCO 7a_100000033903_100000746330 [0,3,0,0,0,0|0,0,1]=4 32487 B12R0.206 CCC#CC(C)OCCCCOC 34a_100000033903_100000755781 [0,3,0,0,0,0|0,0,1]=4 32488 B12R0.206 CCC#CC(C)OCCCCOC 7a_100000033903_100000730899 [0,3,0,0,0,0|0,0,1]=4 32489 B12R0.206 CCC#CC(C)OCCCOCC 34a_100000033903_100012232248 [0,3,0,0,0,0|0,0,1]=4 32490 B12R0.206 CCC#CC(C)OCCCOCC 7a_100000033903_100012232248 [0,3,0,0,0,0|0,0,1]=4 32491 B12R0.206 CCC#CC(C)OCCOCCC 34a_100000033903_100011215938 [0,3,0,0,0,0|0,0,1]=4 32492 B12R0.206 CCC#CC(C)OCCOCCC 7a_100000033903_100011215938 [0,3,0,0,0,0|0,0,1]=4 32493 B12R0.206 CCC#CC(C)OCOCCCC 34a_100000033903_100011995733 [0,3,0,0,0,0|0,0,1]=4 32494 B12R0.206 CCC#CCCOC(C)CCCC 34a_100000036655_200011215066 [0,3,0,0,0,0|0,0,0]=3 32495 B12R0.206 CCC#CCCOC(C)CCCC 7a_100000036655_200011215066 [0,3,0,0,0,0|0,0,0]=3 32496 B12R0.206 CCC#CCOCC(C)CCCC 34a_100011995851_100009813939 [0,3,0,0,0,0|0,0,1]=4 32497 B12R0.206 CCC#CCOCC(C)CCCC 7a_100011995851_100009813939 [0,3,0,0,0,0|0,0,1]=4 32498 B12R0.206 CCC#CCOC[C@@H](N)CCCC 34a_100011934283_100009813939 [0,3,0,0,0,0|0,0,1]=4 32499 B12R0.206 CCC#CCOC[C@@H](N)CCSC 34a_100011827619_100009813939 [0,3,0,0,0,0|0,0,1]=4 32500 B12R0.206 CCC/C=C/COC(C)CCCC 34a_100016278788_200011215066 [0,3,0,0,0,0|0,0,0]=3 32501 B12R0.206 CCC/C=C/COC(C)CCCC 7a_100016278788_200011215066 [0,3,0,0,0,0|0,0,0]=3 32502 B12R0.206 CCC=CC(=O)CCOCCCC 1458a_100000212282_100000743108 [0,3,0,0,0,0|0,0,1]=4 32503 B12R0.206 CCCC#CCOC(C)CCCC 34a_100000034806_200011215066 [0,3,0,0,0,0|0,0,0]=3 32504 B12R0.206 CCCC#CCOC(C)CCCC 7a_100000034806_200011215066 [0,3,0,0,0,0|0,0,0]=3 32505 B12R0.206 CCCC/C=C/CC(=O)CCCC 1458a_200016282684_100000210211 [0,3,0,0,0,0|1,0,0]=4 32506 B12R0.206 CCCCC(=O)CCCCCC#N 1458a_100000210183_100009813376 [0,3,0,0,0,0|1,0,0]=4 32507 B12R0.206 CCCCC(=O)CCCCCCF 1458a_100000210183_100015922095 [0,3,0,0,0,0|1,0,0]=4 32508 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100000210183_100000766143 [0,3,0,0,0,0|1,0,0]=4 32509 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100011996774_100000210211 [0,3,0,0,0,0|1,0,0]=4 32510 B12R0.206 CCCCC(=O)CCCCCOC 1458a_100011935119_100000210211 [0,3,0,0,0,0|1,0,0]=4 32511 B12R0.206 CCCCC(=O)CCOCCOC 1458a_100000210183_100000695917 [0,3,0,0,0,0|1,0,0]=4 32512 B12R0.206 CCCCC(=O)CCOCCOC 1458a_100000745395_100000210211 [0,3,0,0,0,0|1,0,0]=4 32513 B12R0.206 CCCCC(=O)NCCCCCO 240690a_100000762737_100000210183 [0,3,0,0,0,0|1,0,0]=4 32514 B12R0.206 CCCCC(=O)NCCCOCC 11a_100000210961_100000210183 [0,3,0,0,0,0|1,0,0]=4 32515 B12R0.206 CCCCC(=O)NCCCOCC 1626a_100000210961_100000210183 [0,3,0,0,0,0|1,0,0]=4 32516 B12R0.206 CCCCC(=O)NCCCOCC 240690a_100000210961_100000210183 [0,3,0,0,0,0|1,0,0]=4 32517 B12R0.206 CCCCC(=O)NCCCOCC 527a_100000210961_100000210183 [0,3,0,0,0,0|1,0,0]=4 32518 B12R0.206 CCCCC(=O)NCCOCCC 1626a_100161115042_100000210183 [0,3,0,0,0,0|1,0,0]=4 32519 B12R0.206 CCCCC(=O)NCCOCCC 240690a_100161115042_100000210183 [0,3,0,0,0,0|1,0,0]=4 32520 B12R0.206 CCCCC(=O)NCCOCCC 527a_100161115042_100000210183 [0,3,0,0,0,0|1,0,0]=4 32521 B12R0.206 CCCCC(=O)NCCSCCC 11a_100020603323_100000210183 [0,3,0,0,0,0|1,0,0]=4 32522 B12R0.206 CCCCC(=O)NCCSCCC 240690a_100020603323_100000210183 [0,3,0,0,0,0|1,0,0]=4 32523 B12R0.206 CCCCC(=O)NCCSCCC 527a_100020603323_100000210183 [0,3,0,0,0,0|1,0,0]=4 32524 B12R0.206 CCCCC(C)CCCCOCC 34a_200011021034_100000210202 [0,3,0,0,0,0|1,0,0]=4 32525 B12R0.206 CCCCC(C)CCCCOCC 7a_200011021034_100000210202 [0,3,0,0,0,0|1,0,0]=4 32526 B12R0.206 CCCCC(C)CCCCOCF 34a_200011021034_100015361967 [0,3,0,0,0,0|1,0,0]=4 32527 B12R0.206 CCCCC(C)CCCCOCF 7a_200011021034_100015361967 [0,3,0,0,0,0|1,0,0]=4 32528 B12R0.206 CCCCC(C)COCCCC#N 7a_100011995851_100000687738 [0,3,0,0,0,0|0,0,1]=4 32529 B12R0.206 CCCCC(C)COCCCC=O 7a_100011995851_200011292268 [0,3,0,0,0,0|0,0,1]=4 32530 B12R0.206 CCCCC(C)COCCCCF 34a_100011995851_100000729493 [0,3,0,0,0,0|0,0,0]=3 32531 B12R0.206 CCCCC(C)COCCCCF 7a_100011995851_100000729493 [0,3,0,0,0,0|0,0,0]=3 32532 B12R0.206 CCCCC(C)COCCCCO 34a_100011995851_100011216708 [0,3,0,0,0,0|0,0,0]=3 32533 B12R0.206 CCCCC(C)COCCCCO 7a_100011995851_100000210776 [0,3,0,0,0,0|0,0,0]=3 32534 B12R0.206 CCCCC(C)COCCCOC 34a_100011995851_100000740836 [0,3,0,0,0,0|0,0,0]=3 32535 B12R0.206 CCCCC(C)COCCCOC 7a_100011995851_100000740836 [0,3,0,0,0,0|0,0,0]=3 32536 B12R0.206 CCCCC(C)COCCOCC 34a_100011995851_100000210147 [0,3,0,0,0,0|0,0,0]=3 32537 B12R0.206 CCCCC(C)COCCOCC 7a_100011995851_100011215890 [0,3,0,0,0,0|0,0,0]=3 32538 B12R0.206 CCCCC(C)COCCSCC 34a_100011995851_100000757381 [0,3,0,0,0,0|0,0,0]=3 32539 B12R0.206 CCCCC(C)COCCSCC 7a_100011995851_100000757381 [0,3,0,0,0,0|0,0,0]=3 32540 B12R0.206 CCCCC(C)NCCCCC#N 2230a_100000126638_100000211819 [0,3,0,0,0,0|1,0,0]=4 32541 B12R0.206 CCCCC(C)NCCCCC#N 270004a_100000751965_100000210087 [0,3,0,0,0,0|1,0,0]=4 32542 B12R0.206 CCCCC(C)NCCCCC=O 2230a_100000126638_100000139335 [0,3,0,0,0,0|1,0,0]=4 32543 B12R0.206 CCCCC(C)NCCCCCF 2230a_100000126638_100000729378 [0,3,0,0,0,0|1,0,0]=4 32544 B12R0.206 CCCCC(C)NCCCCCO 2230a_100000126638_100000746330 [0,3,0,0,0,0|1,0,0]=4 32545 B12R0.206 CCCCC(C)NCCCCCO 2230a_100000762737_200011215066 [0,3,0,0,0,0|1,0,0]=4 32546 B12R0.206 CCCCC(C)NCCCCCO 270004a_100000762737_100000210087 [0,3,0,0,0,0|1,0,0]=4 32547 B12R0.206 CCCCC(C)NCCCCCO 34a_100000762737_200011215066 [0,3,0,0,0,0|1,0,0]=4 32548 B12R0.206 CCCCC(C)NCCCCOC 2230a_100000126638_100000730899 [0,3,0,0,0,0|1,0,0]=4 32549 B12R0.206 CCCCC(C)NCCCOCC 2230a_100000126638_100012232248 [0,3,0,0,0,0|1,0,0]=4 32550 B12R0.206 CCCCC(C)NCCCOCC 2230a_100000210961_200011215066 [0,3,0,0,0,0|1,0,0]=4 32551 B12R0.206 CCCCC(C)NCCCOCC 270004a_100000210961_100000210087 [0,3,0,0,0,0|1,0,0]=4 32552 B12R0.206 CCCCC(C)NCCCOCC 34a_100000210961_200011215066 [0,3,0,0,0,0|1,0,0]=4 32553 B12R0.206 CCCCC(C)NCCOCCC 2230a_100000126638_100011215938 [0,3,0,0,0,0|1,0,0]=4 32554 B12R0.206 CCCCC(C)NCCOCCC 2230a_100161115042_200011215066 [0,3,0,0,0,0|1,0,0]=4 32555 B12R0.206 CCCCC(C)NCCOCCC 270004a_100161115042_100000210087 [0,3,0,0,0,0|1,0,0]=4 32556 B12R0.206 CCCCC(C)NCCOCCC 34a_100161115042_200011215066 [0,3,0,0,0,0|1,0,0]=4 32557 B12R0.206 CCCCC(C)NCCOCCO 2230a_100000126638_100011215305 [0,3,0,0,0,0|1,0,0]=4 32558 B12R0.206 CCCCC(C)NCCOCCO 2230a_100000211614_200011215066 [0,3,0,0,0,0|1,0,0]=4 32559 B12R0.206 CCCCC(C)NCCOCCO 270004a_100000211614_100000210087 [0,3,0,0,0,0|1,0,0]=4 32560 B12R0.206 CCCCC(C)NCCOCCO 34a_100000211614_200011215066 [0,3,0,0,0,0|1,0,0]=4 32561 B12R0.206 CCCCC(C)NCCSCCC 2230a_100020603323_200011215066 [0,3,0,0,0,0|1,0,0]=4 32562 B12R0.206 CCCCC(C)NCCSCCC 270004a_100020603323_100000210087 [0,3,0,0,0,0|1,0,0]=4 32563 B12R0.206 CCCCC(C)NCCSCCO 2230a_100011219999_200011215066 [0,3,0,0,0,0|1,0,0]=4 32564 B12R0.206 CCCCC(C)NCCSCCO 270004a_100011219999_100000210087 [0,3,0,0,0,0|1,0,0]=4 32565 B12R0.206 CCCCC(C)NCOCCOC 2230a_100000126638_100000231047 [0,3,0,0,0,0|1,0,0]=4 32566 B12R0.206 CCCCC(C)OCCCCC#N 7a_100000687866_100000211819 [0,3,0,0,0,0|0,0,0]=3 32567 B12R0.206 CCCCC(C)OCCCCC=O 7a_100000687866_100000139335 [0,3,0,0,0,0|0,0,0]=3 32568 B12R0.206 CCCCC(C)OCCCCCBr 34a_100000746331_200011215066 [0,3,0,0,0,0|0,0,0]=3 32569 B12R0.206 CCCCC(C)OCCCCCBr 7a_100000746331_200011215066 [0,3,0,0,0,0|0,0,0]=3 32570 B12R0.206 CCCCC(C)OCCCCCCl 34a_100000746330_200011215066 [0,3,0,0,0,0|0,0,0]=3 32571 B12R0.206 CCCCC(C)OCCCCCCl 7a_100000746330_200011215066 [0,3,0,0,0,0|0,0,0]=3 32572 B12R0.206 CCCCC(C)OCCCCCF 34a_100000687866_100000729378 [0,3,0,0,0,0|0,0,0]=3 32573 B12R0.206 CCCCC(C)OCCCCCF 7a_100000687866_100000729378 [0,3,0,0,0,0|0,0,0]=3 32574 B12R0.206 CCCCC(C)OCCCCCI 34a_200012148887_200011215066 [0,3,0,0,0,0|0,0,0]=3 32575 B12R0.206 CCCCC(C)OCCCCCI 7a_200012148887_200011215066 [0,3,0,0,0,0|0,0,0]=3 32576 B12R0.206 CCCCC(C)OCCCCCN 34a_100000762737_200011215066 [0,3,0,0,0,0|0,0,0]=3 32577 B12R0.206 CCCCC(C)OCCCCCO 34a_100000687866_100000746330 [0,3,0,0,0,0|0,0,0]=3 32578 B12R0.206 CCCCC(C)OCCCCCO 7a_100000687866_100000746330 [0,3,0,0,0,0|0,0,0]=3 32579 B12R0.206 CCCCC(C)OCCCCOC 34a_100000687866_100000755781 [0,3,0,0,0,0|0,0,0]=3 32580 B12R0.206 CCCCC(C)OCCCCOC 34a_100000740925_200011215066 [0,3,0,0,0,0|0,0,0]=3 32581 B12R0.206 CCCCC(C)OCCCCOC 7a_100000687866_100000730899 [0,3,0,0,0,0|0,0,0]=3 32582 B12R0.206 CCCCC(C)OCCCCSC 34a_100011217163_200011215066 [0,3,0,0,0,0|0,0,0]=3 32583 B12R0.206 CCCCC(C)OCCCCSC 7a_100011217163_200011215066 [0,3,0,0,0,0|0,0,0]=3 32584 B12R0.206 CCCCC(C)OCCCOCC 34a_100000687866_100012232248 [0,3,0,0,0,0|0,0,0]=3 32585 B12R0.206 CCCCC(C)OCCCOCC 34a_100000757476_200011215066 [0,3,0,0,0,0|0,0,0]=3 32586 B12R0.206 CCCCC(C)OCCCOCC 7a_100000687866_100012232248 [0,3,0,0,0,0|0,0,0]=3 32587 B12R0.206 CCCCC(C)OCCCOCC 7a_100000757476_200011215066 [0,3,0,0,0,0|0,0,0]=3 32588 B12R0.206 CCCCC(C)OCCCSCC 34a_100011216438_200011215066 [0,3,0,0,0,0|0,0,0]=3 32589 B12R0.206 CCCCC(C)OCCCSCC 7a_100011216438_200011215066 [0,3,0,0,0,0|0,0,0]=3 32590 B12R0.206 CCCCC(C)OCCOCC#N 7a_100000687866_200000047693 [0,3,0,0,0,0|0,0,1]=4 32591 B12R0.206 CCCCC(C)OCCOCCBr 34a_100000692535_200011215066 [0,3,0,0,0,0|0,0,0]=3 32592 B12R0.206 CCCCC(C)OCCOCCBr 7a_100000692535_200011215066 [0,3,0,0,0,0|0,0,0]=3 32593 B12R0.206 CCCCC(C)OCCOCCC 34a_100000687866_100011215938 [0,3,0,0,0,0|0,0,0]=3 32594 B12R0.206 CCCCC(C)OCCOCCC 34a_100000752267_200011215066 [0,3,0,0,0,0|0,0,0]=3 32595 B12R0.206 CCCCC(C)OCCOCCC 7a_100000687866_100011215938 [0,3,0,0,0,0|0,0,0]=3 32596 B12R0.206 CCCCC(C)OCCOCCC 7a_100000752267_200011215066 [0,3,0,0,0,0|0,0,0]=3 32597 B12R0.206 CCCCC(C)OCCOCCCl 34a_100011215305_200011215066 [0,3,0,0,0,0|0,0,0]=3 32598 B12R0.206 CCCCC(C)OCCOCCCl 7a_100011215305_200011215066 [0,3,0,0,0,0|0,0,0]=3 32599 B12R0.206 CCCCC(C)OCCOCCF 34a_200015357709_200011215066 [0,3,0,0,0,0|0,0,0]=3 32600 B12R0.206 CCCCC(C)OCCOCCF 7a_200015357709_200011215066 [0,3,0,0,0,0|0,0,0]=3 32601 B12R0.206 CCCCC(C)OCCOCCI 34a_100012149058_200011215066 [0,3,0,0,0,0|0,0,0]=3 32602 B12R0.206 CCCCC(C)OCCOCCI 7a_100012149058_200011215066 [0,3,0,0,0,0|0,0,0]=3 32603 B12R0.206 CCCCC(C)OCCOCCN 34a_100000211614_200011215066 [0,3,0,0,0,0|0,0,0]=3 32604 B12R0.206 CCCCC(C)OCCOCCO 34a_100000687866_100000692535 [0,3,0,0,0,0|0,0,0]=3 32605 B12R0.206 CCCCC(C)OCCOCCO 7a_100000687866_100011215305 [0,3,0,0,0,0|0,0,0]=3 32606 B12R0.206 CCCCC(C)OCCSCCC 34a_200000230433_200011215066 [0,3,0,0,0,0|0,0,0]=3 32607 B12R0.206 CCCCC(C)OCCSCCC 7a_200000230433_200011215066 [0,3,0,0,0,0|0,0,0]=3 32608 B12R0.206 CCCCC(C)SCCCCC#N 62a_100011219923_200011215066 [0,3,0,0,0,0|0,1,0]=4 32609 B12R0.206 CCCCC(C)SCCCCC#N 62a_200011215066_100000211819 [0,3,0,0,0,0|0,1,0]=4 32610 B12R0.206 CCCCC(C)SCCCCC=O 62a_100000139335_200011215066 [0,3,0,0,0,0|0,1,0]=4 32611 B12R0.206 CCCCC(C)SCCCCC=O 62a_200011215066_100000139335 [0,3,0,0,0,0|0,1,0]=4 32612 B12R0.206 CCCCC(C)SCCCCCF 62a_100000729378_200011215066 [0,3,0,0,0,0|0,1,0]=4 32613 B12R0.206 CCCCC(C)SCCCCCF 62a_200011215066_100000729378 [0,3,0,0,0,0|0,1,0]=4 32614 B12R0.206 CCCCC(C)SCCCCCO 62a_100000746330_200011215066 [0,3,0,0,0,0|0,1,0]=4 32615 B12R0.206 CCCCC(C)SCCCCCO 62a_200011215066_100000746330 [0,3,0,0,0,0|0,1,0]=4 32616 B12R0.206 CCCCC(C)SCCCCOC 62a_100000730899_200011215066 [0,3,0,0,0,0|0,1,0]=4 32617 B12R0.206 CCCCC(C)SCCCCOC 62a_200011215066_100000730899 [0,3,0,0,0,0|0,1,0]=4 32618 B12R0.206 CCCCC(C)SCCCOCC 62a_100012232248_200011215066 [0,3,0,0,0,0|0,1,0]=4 32619 B12R0.206 CCCCC(C)SCCCOCC 62a_200011215066_100012232248 [0,3,0,0,0,0|0,1,0]=4 32620 B12R0.206 CCCCC(C)SCCOCCC 62a_100011215938_200011215066 [0,3,0,0,0,0|0,1,0]=4 32621 B12R0.206 CCCCC(C)SCCOCCC 62a_200011215066_100011215938 [0,3,0,0,0,0|0,1,0]=4 32622 B12R0.206 CCCCC(C)SCCOCCO 62a_100011215305_200011215066 [0,3,0,0,0,0|0,1,0]=4 32623 B12R0.206 CCCCC(C)SCCOCCO 62a_200011215066_100011215305 [0,3,0,0,0,0|0,1,0]=4 32624 B12R0.206 CCCCC(C)SCOCCOC 62a_100000231047_200011215066 [0,3,0,0,0,0|0,1,0]=4 32625 B12R0.206 CCCCC(C)SCOCCOC 62a_200011215066_100000231047 [0,3,0,0,0,0|0,1,0]=4 32626 B12R0.206 CCCCCC#CC(=O)CCCC 1458a_100011215388_100000210211 [0,3,0,0,0,0|1,0,0]=4 32627 B12R0.206 CCCCCC=CC(=O)CCCC 1458a_100016263427_100000210211 [0,3,0,0,0,0|1,0,0]=4 32628 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [0,3,0,0,0,0|1,0,0]=4 32629 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [0,3,0,0,0,0|1,0,0]=4 32630 B12R0.206 CCCCCCCC(=O)CCCF 1458a_100000211969_100011934791 [0,3,0,0,0,0|1,0,0]=4 32631 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [0,3,0,0,0,0|1,0,0]=4 32632 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,3,0,0,0,0|1,0,0]=4 32633 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,3,0,0,0,0|1,0,0]=4 32634 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000174002_100000210614 [0,3,0,0,0,0|1,0,0]=4 32635 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000211969_100000751147 [0,3,0,0,0,0|1,0,0]=4 32636 B12R0.206 CCCCCCCC(=O)COCC 1458a_100000211967_100000210614 [0,3,0,0,0,0|1,0,0]=4 32637 B12R0.206 CCCCCCCC(=O)CSCC 1458a_100000230394_100000210614 [0,3,0,0,0,0|1,0,0]=4 32638 B12R0.206 CCCCCCCC(=O)NCCC 11a_100020643023_100000211969 [0,3,0,0,0,0|1,0,0]=4 32639 B12R0.206 CCCCCCCC(=O)NCCC 1626a_100020643023_100000211969 [0,3,0,0,0,0|1,0,0]=4 32640 B12R0.206 CCCCCCCC(=O)NCCC 240690a_100020643023_100000211969 [0,3,0,0,0,0|1,0,0]=4 32641 B12R0.206 CCCCCCCC(=O)NCCC 527a_100020643023_100000211969 [0,3,0,0,0,0|1,0,0]=4 32642 B12R0.206 CCCCCCCC(C)NCCC 270004a_100020643023_100000210596 [0,3,0,0,0,0|1,0,0]=4 32643 B12R0.206 CCCCCCCC(C)NCCF 34a_100000724931_200011218727 [0,3,0,0,0,0|1,0,0]=4 32644 B12R0.206 CCCCCCCC(C)NCCO 2230a_100016997473_200011218727 [0,3,0,0,0,0|1,0,0]=4 32645 B12R0.206 CCCCCCCC(C)NCCO 270004a_100000210304_100000210596 [0,3,0,0,0,0|1,0,0]=4 32646 B12R0.206 CCCCCCCC(C)NCCO 34a_100016990907_200011218727 [0,3,0,0,0,0|1,0,0]=4 32647 B12R0.206 CCCCCCCC(C)OCCBr 34a_100000211926_200011218727 [0,3,0,0,0,0|1,0,0]=4 32648 B12R0.206 CCCCCCCC(C)OCCC 34a_100000210258_200011218727 [0,3,0,0,0,0|1,0,0]=4 32649 B12R0.206 CCCCCCCC(C)OCCC 34a_200011215852_100000210303 [0,3,0,0,0,0|1,0,0]=4 32650 B12R0.206 CCCCCCCC(C)OCCC 7a_200011215852_100000210303 [0,3,0,0,0,0|1,0,0]=4 32651 B12R0.206 CCCCCCCC(C)OCCF 34a_200011215852_100011217306 [0,3,0,0,0,0|1,0,0]=4 32652 B12R0.206 CCCCCCCC(C)OCCF 7a_200011215852_100011217306 [0,3,0,0,0,0|1,0,0]=4 32653 B12R0.206 CCCCCCCC(C)OCCN 34a_100000210304_200011218727 [0,3,0,0,0,0|1,0,0]=4 32654 B12R0.206 CCCCCCCC(C)OCCO 34a_200011215852_100000211926 [0,3,0,0,0,0|1,0,0]=4 32655 B12R0.206 CCCCCCCC(C)OCCO 7a_200011215852_100000211926 [0,3,0,0,0,0|1,0,0]=4 32656 B12R0.206 CCCCCCCC(C)OCSC 34a_200011215852_100011218213 [0,3,0,0,0,0|1,0,0]=4 32657 B12R0.206 CCCCCCCC(C)SCCC 62a_100000210303_200011218727 [0,3,0,0,0,0|1,0,0]=4 32658 B12R0.206 CCCCCCCC(C)SCCC 62a_200011218727_100000210303 [0,3,0,0,0,0|1,0,0]=4 32659 B12R0.206 CCCCCCCC(C)SCCF 62a_100011217306_200011218727 [0,3,0,0,0,0|1,0,0]=4 32660 B12R0.206 CCCCCCCC(C)SCCF 62a_200011218727_100011217306 [0,3,0,0,0,0|1,0,0]=4 32661 B12R0.206 CCCCCCCC(C)SCCO 62a_100000211926_200011218727 [0,3,0,0,0,0|1,0,0]=4 32662 B12R0.206 CCCCCCCC(C)SCCO 62a_200011218727_100000211926 [0,3,0,0,0,0|1,0,0]=4 32663 B12R0.206 CCCCCCCC(C)SCOC 62a_100000766300_200011218727 [0,3,0,0,0,0|1,0,0]=4 32664 B12R0.206 CCCCCCCC(C)SCOC 62a_200011218727_100000766300 [0,3,0,0,0,0|1,0,0]=4 32665 B12R0.206 CCCCCCCC(C)SCSC 62a_100011218213_200011218727 [0,3,0,0,0,0|1,0,0]=4 32666 B12R0.206 CCCCCCCC(C)SCSC 62a_200011218727_100011218213 [0,3,0,0,0,0|1,0,0]=4 32667 B12R0.206 CCCCCCCN(C)CCCC 2230a_100000207549_100000210681 [0,3,0,0,0,0|1,0,0]=4 32668 B12R0.206 CCCCCCCN(C)CCCC 2230a_100000228206_100000210211 [0,3,0,0,0,0|1,0,0]=4 32669 B12R0.206 CCCCCCCN(C)CCCC 269982a_100000207549_100000210681 [0,3,0,0,0,0|1,0,0]=4 32670 B12R0.206 CCCCCCCN(C)CCCC 269982a_100000228206_100000210211 [0,3,0,0,0,0|1,0,0]=4 32671 B12R0.206 CCCCCCCN(C)CCCF 2230a_100000228206_100011934791 [0,3,0,0,0,0|1,0,0]=4 32672 B12R0.206 CCCCCCCN(C)CCCF 269982a_100000228206_100011934791 [0,3,0,0,0,0|1,0,0]=4 32673 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000213112_100000210681 [0,3,0,0,0,0|1,0,0]=4 32674 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000228206_100000230001 [0,3,0,0,0,0|1,0,0]=4 32675 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000213112_100000210681 [0,3,0,0,0,0|1,0,0]=4 32676 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000228206_100011215043 [0,3,0,0,0,0|1,0,0]=4 32677 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000228206_100011201679 [0,3,0,0,0,0|1,0,0]=4 32678 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000743101_100000210681 [0,3,0,0,0,0|1,0,0]=4 32679 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000228206_100000233755 [0,3,0,0,0,0|1,0,0]=4 32680 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000743101_100000210681 [0,3,0,0,0,0|1,0,0]=4 32681 B12R0.206 CCCCCCCN(C)CCSC 2230a_100000228206_100000751147 [0,3,0,0,0,0|1,0,0]=4 32682 B12R0.206 CCCCCCCN(C)CCSC 2230a_100000686725_100000210681 [0,3,0,0,0,0|1,0,0]=4 32683 B12R0.206 CCCCCCCN(C)CCSC 269982a_100000228206_100000212216 [0,3,0,0,0,0|1,0,0]=4 32684 B12R0.206 CCCCCCCN(C)CCSC 269982a_100000686725_100000210681 [0,3,0,0,0,0|1,0,0]=4 32685 B12R0.206 CCCCCCCN(C)COCC 269982a_100000228206_100000739092 [0,3,0,0,0,0|1,0,0]=4 32686 B12R0.206 CCCCCCNC(=O)CCCC 11a_100000210581_100000210183 [0,3,0,0,0,0|1,0,0]=4 32687 B12R0.206 CCCCCCNC(=O)CCCC 1626a_100000210581_100000210183 [0,3,0,0,0,0|1,0,0]=4 32688 B12R0.206 CCCCCCNC(=O)CCCC 240690a_100000210581_100000210183 [0,3,0,0,0,0|1,0,0]=4 32689 B12R0.206 CCCCCCNC(=O)CCCC 527a_100000210581_100000210183 [0,3,0,0,0,0|1,0,0]=4 32690 B12R0.206 CCCCCCNC(C)CCCC 2230a_100000126638_100000210314 [0,3,0,0,0,0|1,0,0]=4 32691 B12R0.206 CCCCCCNC(C)CCCC 2230a_100000210581_200011215066 [0,3,0,0,0,0|1,0,0]=4 32692 B12R0.206 CCCCCCNC(C)CCCC 270004a_100000210581_100000210087 [0,3,0,0,0,0|1,0,0]=4 32693 B12R0.206 CCCCCCNC(C)CCOC 270004a_100000210581_100000742357 [0,3,0,0,0,0|1,0,0]=4 32694 B12R0.206 CCCCCCNC(C)CCSC 270004a_100000210581_100011217047 [0,3,0,0,0,0|1,0,0]=4 32695 B12R0.206 CCCCCCNC(C)CSCC 270004a_100000210581_200011216171 [0,3,0,0,0,0|1,0,0]=4 32696 B12R0.206 CCCCCCOC(C)CCCC 34a_100000210259_200011215066 [0,3,0,0,0,0|0,0,0]=3 32697 B12R0.206 CCCCCCOC(C)CCCC 34a_100000687866_100000210314 [0,3,0,0,0,0|0,0,0]=3 32698 B12R0.206 CCCCCCOC(C)CCCC 7a_100000210259_200011215066 [0,3,0,0,0,0|0,0,0]=3 32699 B12R0.206 CCCCCCOC(C)CCCC 7a_100000687866_100000210314 [0,3,0,0,0,0|0,0,0]=3 32700 B12R0.206 CCCCCCOC(C)CCCCl 34a_200000718107_100000210314 [0,3,0,0,0,0|0,0,0]=3 32701 B12R0.206 CCCCCCOC(C)CCCCl 7a_200000718107_100000210314 [0,3,0,0,0,0|0,0,0]=3 32702 B12R0.206 CCCCCCOC(C)COCC 34a_100000718985_100000210314 [0,3,0,0,0,0|0,0,0]=3 32703 B12R0.206 CCCCCCOC(C)COCC 7a_100000718985_100000210314 [0,3,0,0,0,0|0,0,0]=3 32704 B12R0.206 CCCCCCSC(C)CCCC 62a_100000210314_200011215066 [0,3,0,0,0,0|0,1,0]=4 32705 B12R0.206 CCCCCCSC(C)CCCC 62a_200011215066_100000210757 [0,3,0,0,0,0|0,1,0]=4 32706 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000174927_100000210326 [0,3,0,0,0,0|1,0,0]=4 32707 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000209983_100000183358 [0,3,0,0,0,0|1,0,0]=4 32708 B12R0.206 CCCCCNCC(=O)OCCC 2230a_100000209983_200011215008 [0,3,0,0,0,0|1,0,0]=4 32709 B12R0.206 CCCCCNCC(C)OCCC 2230a_100015185124_100000210326 [0,3,0,0,0,0|1,0,0]=4 32710 B12R0.206 CCCCCNCC(C)OCCC 34a_100015185124_100000718602 [0,3,0,0,0,0|1,0,0]=4 32711 B12R0.206 CCCCCNCC(O)COCC 2230a_102515437182_100000210326 [0,3,0,0,0,0|1,0,0]=4 32712 B12R0.206 CCCCCNCC(O)COCC 34a_102515437182_100000718602 [0,3,0,0,0,0|1,0,0]=4 32713 B12R0.206 CCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210326 [0,3,0,0,0,0|1,0,0]=4 32714 B12R0.206 CCCCCNC[C@H](C)CCCO 34a_100160569302_100000718602 [0,3,0,0,0,0|1,0,0]=4 32715 B12R0.206 CCCCCNN=C(C)CCCC 4a_100000694160_100000210087 [0,3,0,0,0,0|1,0,0]=4 32716 B12R0.206 CCCCCNNC(=O)CCCC 22a_100000694160_100000210183 [0,3,0,0,0,0|1,0,0]=4 32717 B12R0.206 CCCCCOCC(=O)NCCC 34a_100000210253_100000183358 [0,3,0,0,0,0|0,0,0]=3 32718 B12R0.206 CCCCCOCC(=O)NCCC 7a_100000210253_100000183358 [0,3,0,0,0,0|0,0,0]=3 32719 B12R0.206 CCCCCOCC(=O)OCCC 34a_100000210253_200011215008 [0,3,0,0,0,0|0,0,0]=3 32720 B12R0.206 CCCCCOCC(=O)OCCC 7a_100000210253_200011215008 [0,3,0,0,0,0|0,0,0]=3 32721 B12R0.206 CCCCCOCC(C)CCCC 34a_100011995851_100000718602 [0,3,0,0,0,0|0,0,0]=3 32722 B12R0.206 CCCCCOCC(C)CCCC 7a_100011995851_100000210326 [0,3,0,0,0,0|0,0,0]=3 32723 B12R0.206 CCCCCOC[C@@H](C)OCOC 34a_100016172286_100000718602 [0,3,0,0,0,0|0,0,0]=3 32724 B12R0.206 CCCCCOC[C@@H](C)OCOC 7a_100016172286_100000210326 [0,3,0,0,0,0|0,0,0]=3 32725 B12R0.206 CCCCCOC[C@@H](N)CCCC 34a_100011934283_100000718602 [0,3,0,0,0,0|0,0,0]=3 32726 B12R0.206 CCCCCOC[C@@H](N)CCSC 34a_100011827619_100000718602 [0,3,0,0,0,0|0,0,0]=3 32727 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000183358_100000210326 [0,3,0,0,0,0|0,1,0]=4 32728 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000210326_100000183358 [0,3,0,0,0,0|0,1,0]=4 32729 B12R0.206 CCCCCSCC(=O)OCCC 62a_100000210326_200011215008 [0,3,0,0,0,0|0,1,0]=4 32730 B12R0.206 CCCCCSCC(=O)OCCC 62a_200011215008_100000210326 [0,3,0,0,0,0|0,1,0]=4 32731 B12R0.206 CCCCN(C)CCCCCC#N 2230a_100000207549_100009813376 [0,3,0,0,0,0|1,0,0]=4 32732 B12R0.206 CCCCN(C)CCCCCC#N 269982a_100000207549_100009813376 [0,3,0,0,0,0|1,0,0]=4 32733 B12R0.206 CCCCN(C)CCCCCC=O 2230a_100000207549_100000139337 [0,3,0,0,0,0|1,0,0]=4 32734 B12R0.206 CCCCN(C)CCCCCC=O 269982a_100000207549_100000139337 [0,3,0,0,0,0|1,0,0]=4 32735 B12R0.206 CCCCN(C)CCCCCCF 2230a_100000207549_100015922095 [0,3,0,0,0,0|1,0,0]=4 32736 B12R0.206 CCCCN(C)CCCCCCF 269982a_100000207549_100015922095 [0,3,0,0,0,0|1,0,0]=4 32737 B12R0.206 CCCCN(C)CCCCCCO 2230a_100000207549_100000766143 [0,3,0,0,0,0|1,0,0]=4 32738 B12R0.206 CCCCN(C)CCCCCCO 269982a_100000207549_100000766143 [0,3,0,0,0,0|1,0,0]=4 32739 B12R0.206 CCCCN(C)CCOCCOC 2230a_100000207549_100000695917 [0,3,0,0,0,0|1,0,0]=4 32740 B12R0.206 CCCCN(C)CCOCCOC 269982a_100000207549_100000695917 [0,3,0,0,0,0|1,0,0]=4 32741 B12R0.206 CCCCNCOC(=O)OCCC 7a_106832991798_200000139673 [0,3,0,0,0,0|0,0,1]=4 32742 B12R0.206 CCCCOCCC(=O)CCC#N 1458a_100011934036_100000743108 [0,3,0,0,0,0|0,0,1]=4 32743 B12R0.206 CCCCOCCC(=O)CCCC 1458a_100000210183_100000743108 [0,3,0,0,0,0|0,0,0]=3 32744 B12R0.206 CCCCOCCC(=O)CCOC 1458a_100000749529_100000743108 [0,3,0,0,0,0|0,0,0]=3 32745 B12R0.206 CCCCOCCC(=O)CCSC 1458a_100000174002_100000743108 [0,3,0,0,0,0|0,0,0]=3 32746 B12R0.206 CCCCOCCC(=O)COCC 1458a_100000211967_100000743108 [0,3,0,0,0,0|0,0,0]=3 32747 B12R0.206 CCCCOCCC(=O)CSCC 1458a_100000230394_100000743108 [0,3,0,0,0,0|0,0,0]=3 32748 B12R0.206 CCCCOCCN(C)CCC#N 2230a_100000184479_100000743108 [0,3,0,0,0,0|0,0,1]=4 32749 B12R0.206 CCCCOCCN(C)CCCC 2230a_100000207549_100000743108 [0,3,0,0,0,0|0,0,0]=3 32750 B12R0.206 CCCCOCCN(C)CCCC 269982a_100000207549_100000743108 [0,3,0,0,0,0|0,0,0]=3 32751 B12R0.206 CCCCOCCN(C)CCCO 2230a_100000213112_100000743108 [0,3,0,0,0,0|0,0,0]=3 32752 B12R0.206 CCCCOCCN(C)CCCO 269982a_100000213112_100000743108 [0,3,0,0,0,0|0,0,0]=3 32753 B12R0.206 CCCCOCCN(C)CCOC 2230a_100000743101_100000743108 [0,3,0,0,0,0|0,0,0]=3 32754 B12R0.206 CCCCOCCN(C)CCOC 269982a_100000743101_100000743108 [0,3,0,0,0,0|0,0,0]=3 32755 B12R0.206 CCCCOCCN(C)CCSC 2230a_100000686725_100000743108 [0,3,0,0,0,0|0,0,0]=3 32756 B12R0.206 CCCCOCCN(C)CCSC 269982a_100000686725_100000743108 [0,3,0,0,0,0|0,0,0]=3 32757 B12R0.206 CCCCOCNC(C)CCCC 2230a_100000126638_100011995733 [0,3,0,0,0,0|0,0,0]=3 32758 B12R0.206 CCCCOCOC(=O)OCCC 34a_100000210227_200000139673 [0,3,0,0,0,0|0,0,1]=4 32759 B12R0.206 CCCCOCOC(=O)OCCC 7a_100000210227_200000139673 [0,3,0,0,0,0|0,0,1]=4 32760 B12R0.206 CCCCOCOC(C)CCCC 34a_100000687866_100011995733 [0,3,0,0,0,0|0,0,0]=3 32761 B12R0.206 CCCCOCOC(C)CCCCl 34a_200000718107_100011995733 [0,3,0,0,0,0|0,0,0]=3 32762 B12R0.206 CCCCOCOC(C)COCC 34a_100000718985_100011995733 [0,3,0,0,0,0|0,0,0]=3 32763 B12R0.206 CCCCOCSC(C)CCCC 62a_100011995733_200011215066 [0,3,0,0,0,0|0,0,0]=3 32764 B12R0.206 CCCCOCSC(C)CCCC 62a_200011215066_100011995733 [0,3,0,0,0,0|0,0,0]=3 32765 B12R0.206 CCCCSCOC(=O)OCCC 62a_100000210211_200000139673 [0,3,0,0,0,0|0,0,1]=4 32766 B12R0.206 CCCC[C@H](N)COCCCCF 34a_100011934283_100000729493 [0,3,0,0,0,0|0,0,0]=3 32767 B12R0.206 CCCC[C@H](N)COCCCCO 34a_100011934283_100011216708 [0,3,0,0,0,0|0,0,0]=3 32768 B12R0.206 CCCC[C@H](N)COCCCOC 34a_100011934283_100000740836 [0,3,0,0,0,0|0,0,0]=3 32769 B12R0.206 CCCC[C@H](N)COCCOCC 34a_100011934283_100000210147 [0,3,0,0,0,0|0,0,0]=3 32770 B12R0.206 CCCC[C@H](N)COCCSCC 34a_100011934283_100000757381 [0,3,0,0,0,0|0,0,0]=3 32771 B12R0.206 CCCNC(=O)CCOCCOC 11a_100020643023_100000745395 [0,3,0,0,0,0|1,0,0]=4 32772 B12R0.206 CCCNC(=O)CCOCCOC 1626a_100020643023_100000745395 [0,3,0,0,0,0|1,0,0]=4 32773 B12R0.206 CCCNC(=O)CCOCCOC 240690a_100020643023_100000745395 [0,3,0,0,0,0|1,0,0]=4 32774 B12R0.206 CCCNC(=O)CCOCCOC 527a_100020643023_100000745395 [0,3,0,0,0,0|1,0,0]=4 32775 B12R0.206 CCCNC(=O)COCCCCBr 34a_100011216708_100000183358 [0,3,0,0,0,0|0,0,1]=4 32776 B12R0.206 CCCNC(=O)COCCCCCl 34a_100000210776_100000183358 [0,3,0,0,0,0|0,0,1]=4 32777 B12R0.206 CCCNC(=O)COCCCCCl 7a_100000210776_100000183358 [0,3,0,0,0,0|0,0,1]=4 32778 B12R0.206 CCCNC(=O)COCCCCF 34a_100011995726_100000183358 [0,3,0,0,0,0|0,0,1]=4 32779 B12R0.206 CCCNC(=O)COCCCCF 7a_100011995726_100000183358 [0,3,0,0,0,0|0,0,1]=4 32780 B12R0.206 CCCNC(=O)COCCCCI 34a_200012148704_100000183358 [0,3,0,0,0,0|0,0,1]=4 32781 B12R0.206 CCCNC(=O)COCCCCN 34a_100000750430_100000183358 [0,3,0,0,0,0|0,0,1]=4 32782 B12R0.206 CCCNC(=O)COCCCNC 34a_100000213112_100000183358 [0,3,0,0,0,0|0,0,1]=4 32783 B12R0.206 CCCNC(=O)COCCCOC 34a_100000740835_100000183358 [0,3,0,0,0,0|0,0,1]=4 32784 B12R0.206 CCCNC(=O)COCCCSC 34a_100000690336_100000183358 [0,3,0,0,0,0|0,0,1]=4 32785 B12R0.206 CCCNC(=O)COCCCSC 7a_100000690336_100000183358 [0,3,0,0,0,0|0,0,1]=4 32786 B12R0.206 CCCNC(=O)COCCOCC 34a_100000210136_100000183358 [0,3,0,0,0,0|0,0,1]=4 32787 B12R0.206 CCCNC(=O)COCCOCC 7a_100000210136_100000183358 [0,3,0,0,0,0|0,0,1]=4 32788 B12R0.206 CCCNC(=O)COCCSCC 34a_100000212035_100000183358 [0,3,0,0,0,0|0,0,1]=4 32789 B12R0.206 CCCNC(=O)COCCSCC 7a_100000212035_100000183358 [0,3,0,0,0,0|0,0,1]=4 32790 B12R0.206 CCCOC(=O)COCCCCBr 34a_100011216708_200011215008 [0,3,0,0,0,0|0,0,1]=4 32791 B12R0.206 CCCOC(=O)COCCCCCl 34a_100000210776_200011215008 [0,3,0,0,0,0|0,0,1]=4 32792 B12R0.206 CCCOC(=O)COCCCCCl 7a_100000210776_200011215008 [0,3,0,0,0,0|0,0,1]=4 32793 B12R0.206 CCCOC(=O)COCCCCF 34a_100011995726_200011215008 [0,3,0,0,0,0|0,0,1]=4 32794 B12R0.206 CCCOC(=O)COCCCCF 7a_100011995726_200011215008 [0,3,0,0,0,0|0,0,1]=4 32795 B12R0.206 CCCOC(=O)COCCCCI 34a_200012148704_200011215008 [0,3,0,0,0,0|0,0,1]=4 32796 B12R0.206 CCCOC(=O)COCCCCN 34a_100000750430_200011215008 [0,3,0,0,0,0|0,0,1]=4 32797 B12R0.206 CCCOC(=O)COCCCNC 34a_100000213112_200011215008 [0,3,0,0,0,0|0,0,1]=4 32798 B12R0.206 CCCOC(=O)COCCCOC 34a_100000740835_200011215008 [0,3,0,0,0,0|0,0,1]=4 32799 B12R0.206 CCCOC(=O)COCCCSC 34a_100000690336_200011215008 [0,3,0,0,0,0|0,0,1]=4 32800 B12R0.206 CCCOC(=O)COCCCSC 7a_100000690336_200011215008 [0,3,0,0,0,0|0,0,1]=4 32801 B12R0.206 CCCOC(=O)COCCOCC 34a_100000210136_200011215008 [0,3,0,0,0,0|0,0,1]=4 32802 B12R0.206 CCCOC(=O)COCCOCC 7a_100000210136_200011215008 [0,3,0,0,0,0|0,0,1]=4 32803 B12R0.206 CCCOC(=O)COCCSCC 34a_100000212035_200011215008 [0,3,0,0,0,0|0,0,1]=4 32804 B12R0.206 CCCOC(=O)COCCSCC 7a_100000212035_200011215008 [0,3,0,0,0,0|0,0,1]=4 32805 B12R0.206 CCCOC(C)CNCCCCF 2230a_100015185124_100000729493 [0,3,0,0,0,0|1,0,0]=4 32806 B12R0.206 CCCOC(C)CNCCCCF 34a_100015185124_100000729493 [0,3,0,0,0,0|1,0,0]=4 32807 B12R0.206 CCCOC(C)CNCCCCO 2230a_100015185124_100000210776 [0,3,0,0,0,0|1,0,0]=4 32808 B12R0.206 CCCOC(C)CNCCCCO 34a_100015185124_100011216708 [0,3,0,0,0,0|1,0,0]=4 32809 B12R0.206 CCCOC(C)CNCCCOC 2230a_100015185124_100000740836 [0,3,0,0,0,0|1,0,0]=4 32810 B12R0.206 CCCOC(C)CNCCCOC 34a_100015185124_100000740836 [0,3,0,0,0,0|1,0,0]=4 32811 B12R0.206 CCCOC(C)CNCCOCC 2230a_100015185124_100011215890 [0,3,0,0,0,0|1,0,0]=4 32812 B12R0.206 CCCOC(C)CNCCOCC 34a_100015185124_100000210147 [0,3,0,0,0,0|1,0,0]=4 32813 B12R0.206 CCCOC(C)CNCCSCC 2230a_100015185124_100000757381 [0,3,0,0,0,0|1,0,0]=4 32814 B12R0.206 CCCOC(C)CNCCSCC 34a_100015185124_100000757381 [0,3,0,0,0,0|1,0,0]=4 32815 B12R0.206 CCCOCCNC(C)CCOC 270004a_100161115042_100000742357 [0,3,0,0,0,0|1,0,0]=4 32816 B12R0.206 CCCOCCNC(C)CCSC 270004a_100161115042_100011217047 [0,3,0,0,0,0|1,0,0]=4 32817 B12R0.206 CCCOCCNC(C)CSCC 270004a_100161115042_200011216171 [0,3,0,0,0,0|1,0,0]=4 32818 B12R0.206 CCCOCCOC(C)CCCCl 34a_200000718107_100011215938 [0,3,0,0,0,0|0,0,0]=3 32819 B12R0.206 CCCOCCOC(C)CCCCl 7a_200000718107_100011215938 [0,3,0,0,0,0|0,0,0]=3 32820 B12R0.206 CCCOCCOC(C)COCC 34a_100000718985_100011215938 [0,3,0,0,0,0|0,0,0]=3 32821 B12R0.206 CCCOCCOC(C)COCC 7a_100000718985_100011215938 [0,3,0,0,0,0|0,0,0]=3 32822 B12R0.206 CCCSCCNC(C)CCOC 270004a_100020603323_100000742357 [0,3,0,0,0,0|1,0,0]=4 32823 B12R0.206 CCCSCCNC(C)CCSC 270004a_100020603323_100011217047 [0,3,0,0,0,0|1,0,0]=4 32824 B12R0.206 CCCSCCNC(C)CSCC 270004a_100020603323_200011216171 [0,3,0,0,0,0|1,0,0]=4 32825 B12R0.206 CCOCC(=O)CCOCCOC 1458a_100000211967_100000695917 [0,3,0,0,0,0|1,0,0]=4 32826 B12R0.206 CCOCC(C)OCCCCC#N 7a_100000718985_100000211819 [0,3,0,0,0,0|0,0,1]=4 32827 B12R0.206 CCOCC(C)OCCCCC=O 7a_100000718985_100000139335 [0,3,0,0,0,0|0,0,1]=4 32828 B12R0.206 CCOCC(C)OCCCCCF 34a_100000718985_100000729378 [0,3,0,0,0,0|0,0,0]=3 32829 B12R0.206 CCOCC(C)OCCCCCF 7a_100000718985_100000729378 [0,3,0,0,0,0|0,0,0]=3 32830 B12R0.206 CCOCC(C)OCCCCCO 34a_100000718985_100000746330 [0,3,0,0,0,0|0,0,0]=3 32831 B12R0.206 CCOCC(C)OCCCCCO 7a_100000718985_100000746330 [0,3,0,0,0,0|0,0,0]=3 32832 B12R0.206 CCOCC(C)OCCCCOC 34a_100000718985_100000755781 [0,3,0,0,0,0|0,0,0]=3 32833 B12R0.206 CCOCC(C)OCCCCOC 7a_100000718985_100000730899 [0,3,0,0,0,0|0,0,0]=3 32834 B12R0.206 CCOCC(C)OCCOCCO 34a_100000718985_100000692535 [0,3,0,0,0,0|1,0,0]=4 32835 B12R0.206 CCOCC(C)OCCOCCO 7a_100000718985_100011215305 [0,3,0,0,0,0|1,0,0]=4 32836 B12R0.206 CCOCC(O)CNCCCCF 2230a_102515437182_100000729493 [0,3,0,0,0,0|1,0,0]=4 32837 B12R0.206 CCOCC(O)CNCCCCF 34a_102515437182_100000729493 [0,3,0,0,0,0|1,0,0]=4 32838 B12R0.206 CCOCC(O)CNCCCCO 2230a_102515437182_100000210776 [0,3,0,0,0,0|1,0,0]=4 32839 B12R0.206 CCOCC(O)CNCCCCO 34a_102515437182_100011216708 [0,3,0,0,0,0|1,0,0]=4 32840 B12R0.206 CCOCC(O)CNCCCOC 2230a_102515437182_100000740836 [0,3,0,0,0,0|1,0,0]=4 32841 B12R0.206 CCOCC(O)CNCCCOC 34a_102515437182_100000740836 [0,3,0,0,0,0|1,0,0]=4 32842 B12R0.206 CCOCC(O)CNCCSCC 2230a_102515437182_100000757381 [0,3,0,0,0,0|1,0,0]=4 32843 B12R0.206 CCOCC(O)CNCCSCC 34a_102515437182_100000757381 [0,3,0,0,0,0|1,0,0]=4 32844 B12R0.206 CCOCCCNC(C)CCOC 270004a_100000210961_100000742357 [0,3,0,0,0,0|1,0,0]=4 32845 B12R0.206 CCOCCCNC(C)CCSC 270004a_100000210961_100011217047 [0,3,0,0,0,0|1,0,0]=4 32846 B12R0.206 CCOCCCNC(C)CSCC 270004a_100000210961_200011216171 [0,3,0,0,0,0|1,0,0]=4 32847 B12R0.206 CCOCCCOC(C)CCCCl 34a_200000718107_100012232248 [0,3,0,0,0,0|0,0,0]=3 32848 B12R0.206 CCOCCCOC(C)CCCCl 7a_200000718107_100012232248 [0,3,0,0,0,0|0,0,0]=3 32849 B12R0.206 CCOCCCOC(C)COCC 34a_100000718985_100012232248 [0,3,0,0,0,0|0,0,0]=3 32850 B12R0.206 CCOCCCOC(C)COCC 7a_100000718985_100012232248 [0,3,0,0,0,0|0,0,0]=3 32851 B12R0.206 CCOCCNCC(O)COCC 2230a_102515437182_100011215890 [0,3,0,0,0,0|1,0,0]=4 32852 B12R0.206 CCOCCNCC(O)COCC 34a_102515437182_100000210147 [0,3,0,0,0,0|1,0,0]=4 32853 B12R0.206 CCOCCNC[C@H](C)CCCO 2230a_100160569302_100011215890 [0,3,0,0,0,0|1,0,0]=4 32854 B12R0.206 CCOCCNC[C@H](C)CCCO 34a_100160569302_100000210147 [0,3,0,0,0,0|1,0,0]=4 32855 B12R0.206 CCOCCOC[C@@H](C)OCOC 34a_100016172286_100000210147 [0,3,0,0,0,0|1,0,0]=4 32856 B12R0.206 CCOCCOC[C@@H](C)OCOC 7a_100016172286_100011215890 [0,3,0,0,0,0|1,0,0]=4 32857 B12R0.206 CCOCCOC[C@@H](N)CCSC 34a_100011827619_100000210147 [0,3,0,0,0,0|0,0,0]=3 32858 B12R0.206 CCSCC(=O)CCOCCOC 1458a_100000230394_100000695917 [0,3,0,0,0,0|1,0,0]=4 32859 B12R0.206 CCSCC(C)NCCCCCO 270004a_100000762737_200011216171 [0,3,0,0,0,0|1,0,0]=4 32860 B12R0.206 CCSCCNC[C@H](C)CCCO 2230a_100160569302_100000757381 [0,3,0,0,0,0|1,0,0]=4 32861 B12R0.206 CCSCCNC[C@H](C)CCCO 34a_100160569302_100000757381 [0,3,0,0,0,0|1,0,0]=4 32862 B12R0.206 CCSCCOC[C@@H](C)OCOC 34a_100016172286_100000757381 [0,3,0,0,0,0|1,0,0]=4 32863 B12R0.206 CCSCCOC[C@@H](C)OCOC 7a_100016172286_100000757381 [0,3,0,0,0,0|1,0,0]=4 32864 B12R0.206 CCSCCOC[C@@H](N)CCSC 34a_100011827619_100000757381 [0,3,0,0,0,0|0,0,0]=3 32865 B12R0.206 COCCC(C)NCCCCCO 270004a_100000762737_100000742357 [0,3,0,0,0,0|1,0,0]=4 32866 B12R0.206 COCCCCOC(C)CCCCl 34a_200000718107_100000755781 [0,3,0,0,0,0|0,0,0]=3 32867 B12R0.206 COCCCCOC(C)CCCCl 7a_200000718107_100000730899 [0,3,0,0,0,0|0,0,0]=3 32868 B12R0.206 COCCCNC[C@H](C)CCCO 2230a_100160569302_100000740836 [0,3,0,0,0,0|1,0,0]=4 32869 B12R0.206 COCCCNC[C@H](C)CCCO 34a_100160569302_100000740836 [0,3,0,0,0,0|1,0,0]=4 32870 B12R0.206 COCCCOC[C@@H](C)OCOC 34a_100016172286_100000740836 [0,3,0,0,0,0|1,0,0]=4 32871 B12R0.206 COCCCOC[C@@H](C)OCOC 7a_100016172286_100000740836 [0,3,0,0,0,0|1,0,0]=4 32872 B12R0.206 COCCCOC[C@@H](N)CCSC 34a_100011827619_100000740836 [0,3,0,0,0,0|0,0,0]=3 32873 B12R0.206 COCCOCCC(=O)CCCF 1458a_100000745395_100011934791 [0,3,0,0,0,0|1,0,0]=4 32874 B12R0.206 COCCOCCC(=O)CCCO 1458a_100000745395_100011215043 [0,3,0,0,0,0|1,0,0]=4 32875 B12R0.206 COCCOCCC(=O)CCOC 1458a_100000745395_100000233755 [0,3,0,0,0,0|1,0,0]=4 32876 B12R0.206 COCCOCCC(=O)CCOC 1458a_100000749529_100000695917 [0,3,0,0,0,0|1,0,0]=4 32877 B12R0.206 COCCOCCC(=O)CCSC 1458a_100000174002_100000695917 [0,3,0,0,0,0|1,0,0]=4 32878 B12R0.206 COCCOCCC(=O)CCSC 1458a_100000745395_100000751147 [0,3,0,0,0,0|1,0,0]=4 32879 B12R0.206 COCCOCCN(C)CCCO 2230a_100000213112_100000695917 [0,3,0,0,0,0|1,0,0]=4 32880 B12R0.206 COCCOCCN(C)CCCO 269982a_100000213112_100000695917 [0,3,0,0,0,0|1,0,0]=4 32881 B12R0.206 COCCOCCN(C)CCOC 2230a_100000743101_100000695917 [0,3,0,0,0,0|1,0,0]=4 32882 B12R0.206 COCCOCCN(C)CCOC 269982a_100000743101_100000695917 [0,3,0,0,0,0|1,0,0]=4 32883 B12R0.206 COCCOCCN(C)CCSC 2230a_100000686725_100000695917 [0,3,0,0,0,0|1,0,0]=4 32884 B12R0.206 COCCOCCN(C)CCSC 269982a_100000686725_100000695917 [0,3,0,0,0,0|1,0,0]=4 32885 B12R0.206 COCO[C@H](C)COCCCCF 34a_100016172286_100000729493 [0,3,0,0,0,0|1,0,0]=4 32886 B12R0.206 COCO[C@H](C)COCCCCF 7a_100016172286_100000729493 [0,3,0,0,0,0|1,0,0]=4 32887 B12R0.206 COCO[C@H](C)COCCCCO 34a_100016172286_100011216708 [0,3,0,0,0,0|1,0,0]=4 32888 B12R0.206 COCO[C@H](C)COCCCCO 7a_100016172286_100000210776 [0,3,0,0,0,0|1,0,0]=4 32889 B12R0.206 CSCCC(C)NCCCCCO 270004a_100000762737_100011217047 [0,3,0,0,0,0|1,0,0]=4 32890 B12R0.206 CSCC[C@H](N)COCCCCF 34a_100011827619_100000729493 [0,3,0,0,0,0|0,0,0]=3 32891 B12R0.206 CSCC[C@H](N)COCCCCO 34a_100011827619_100011216708 [0,3,0,0,0,0|0,0,0]=3 32892 B12R0.206 C[C@H](CCCO)CNCCCCF 2230a_100160569302_100000729493 [0,3,0,0,0,0|1,0,0]=4 32893 B12R0.206 C[C@H](CCCO)CNCCCCF 34a_100160569302_100000729493 [0,3,0,0,0,0|1,0,0]=4 32894 B12R0.206 C[C@H](CCCO)CNCCCCO 2230a_100160569302_100000210776 [0,3,0,0,0,0|1,0,0]=4 32895 B12R0.206 C[C@H](CCCO)CNCCCCO 34a_100160569302_100011216708 [0,3,0,0,0,0|1,0,0]=4 32896 B12R0.239 C=C(CCC)CC(=O)CCCCC 1458a_100000138376_100000210326 [0,3,0,0,0,0|1,0,0]=4 32897 B12R0.239 CCC#CCC(C)OC(C)CCC 34a_200000035118_100000766640 [0,3,0,0,0,0|0,0,1]=4 32898 B12R0.239 CCC#CCC(C)OC(C)CCC 7a_200000035118_100000766640 [0,3,0,0,0,0|0,0,1]=4 32899 B12R0.239 CCCC(C)CC(=O)CCCCF 1458a_100000748435_100000729493 [0,3,0,0,0,0|1,0,0]=4 32900 B12R0.239 CCCC(C)CC(=O)CCCCO 1458a_100000695505_100011216630 [0,3,0,0,0,0|1,0,0]=4 32901 B12R0.239 CCCC(C)CC(=O)CCCCO 1458a_100000748435_100000210776 [0,3,0,0,0,0|1,0,0]=4 32902 B12R0.239 CCCC(C)CC(=O)CCCOC 1458a_100000741012_100011216630 [0,3,0,0,0,0|1,0,0]=4 32903 B12R0.239 CCCC(C)CC(=O)CCCOC 1458a_100000748435_100000740836 [0,3,0,0,0,0|1,0,0]=4 32904 B12R0.239 CCCC(C)CC(=O)CCCSC 1458a_100000173376_100011216630 [0,3,0,0,0,0|1,0,0]=4 32905 B12R0.239 CCCC(C)CC(=O)CCOCC 1458a_100000748435_100011215890 [0,3,0,0,0,0|1,0,0]=4 32906 B12R0.239 CCCC(C)CC(=O)CCOCC 1458a_100000749530_100011216630 [0,3,0,0,0,0|1,0,0]=4 32907 B12R0.239 CCCC(C)CC(=O)CCSCC 1458a_100000230768_100011216630 [0,3,0,0,0,0|1,0,0]=4 32908 B12R0.239 CCCC(C)CC(=O)CCSCC 1458a_100000748435_100000757381 [0,3,0,0,0,0|1,0,0]=4 32909 B12R0.239 CCCC(C)CN(C)CCCCO 2230a_100000717598_100011216630 [0,3,0,0,0,0|1,0,0]=4 32910 B12R0.239 CCCC(C)CN(C)CCCCO 269982a_100000717598_100011216630 [0,3,0,0,0,0|1,0,0]=4 32911 B12R0.239 CCCC(C)CN(C)CCCCO 270004a_100000717598_100000243154 [0,3,0,0,0,0|1,0,0]=4 32912 B12R0.239 CCCC(C)CN(C)CCCOC 2230a_100000224831_100011216630 [0,3,0,0,0,0|1,0,0]=4 32913 B12R0.239 CCCC(C)CN(C)CCCOC 269982a_100000224831_100011216630 [0,3,0,0,0,0|1,0,0]=4 32914 B12R0.239 CCCC(C)CN(C)CCCOC 270004a_100000224831_100000243154 [0,3,0,0,0,0|1,0,0]=4 32915 B12R0.239 CCCC(C)NC(C)CCCSC 270004a_100000741246_100011399439 [0,3,0,0,0,0|1,0,0]=4 32916 B12R0.239 CCCC(C)NC(C)CCOCC 270004a_100000741246_200011216536 [0,3,0,0,0,0|1,0,0]=4 32917 B12R0.239 CCCC(C)OC(C)CCCOC 34a_200011539412_100000766640 [0,3,0,0,0,0|0,0,0]=3 32918 B12R0.239 CCCC(C)OC(C)CCCOC 7a_200011539412_100000766640 [0,3,0,0,0,0|0,0,0]=3 32919 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000211992_200012276598 [0,3,0,0,0,0|1,0,0]=4 32920 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000212188_100000747444 [0,3,0,0,0,0|1,0,0]=4 32921 B12R0.239 CCCCCC(=O)CC(C)CCC 1458a_100000212188_100011216630 [0,3,0,0,0,0|1,0,0]=4 32922 B12R0.239 CCCCCC(=O)CC(C)CCC 1458a_100000748435_100000210326 [0,3,0,0,0,0|1,0,0]=4 32923 B12R0.239 CCCCCC(=O)CC(C)SCC 1458a_200011311441_100000210326 [0,3,0,0,0,0|1,0,0]=4 32924 B12R0.239 CCCCCC(=O)CN(C)CCC 2230a_100000747261_200012276598 [0,3,0,0,0,0|1,0,0]=4 32925 B12R0.239 CCCCCC(=O)CN(C)CCC 269982a_100000747261_200012276598 [0,3,0,0,0,0|1,0,0]=4 32926 B12R0.239 CCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210326 [0,3,0,0,0,0|1,0,0]=4 32927 B12R0.239 CCCCCC(=O)NC(C)CCC 11a_100000741246_100000212188 [0,3,0,0,0,0|1,0,0]=4 32928 B12R0.239 CCCCCC(=O)NC(C)CCC 1626a_100000741246_100000212188 [0,3,0,0,0,0|1,0,0]=4 32929 B12R0.239 CCCCCC(=O)NC(C)CCC 240690a_100000741246_100000212188 [0,3,0,0,0,0|1,0,0]=4 32930 B12R0.239 CCCCCC(=O)NC(C)CCC 527a_100000741246_100000212188 [0,3,0,0,0,0|1,0,0]=4 32931 B12R0.239 CCCCCC(C)NC(C)CCC 2230a_100000211957_100000766640 [0,3,0,0,0,0|1,0,0]=4 32932 B12R0.239 CCCCCC(C)NC(C)CCC 2230a_100000741246_200011218191 [0,3,0,0,0,0|1,0,0]=4 32933 B12R0.239 CCCCCC(C)NC(C)CCC 270004a_100000211957_100000211909 [0,3,0,0,0,0|1,0,0]=4 32934 B12R0.239 CCCCCC(C)NC(C)CCC 270004a_100000741246_100000211708 [0,3,0,0,0,0|1,0,0]=4 32935 B12R0.239 CCCCCC(C)OC(C)CCBr 34a_100012276601_200011218191 [0,3,0,0,0,0|1,0,0]=4 32936 B12R0.239 CCCCCC(C)OC(C)CCC 34a_100000764384_200011218191 [0,3,0,0,0,0|0,0,0]=3 32937 B12R0.239 CCCCCC(C)OC(C)CCC 34a_100011215632_100000766640 [0,3,0,0,0,0|0,0,0]=3 32938 B12R0.239 CCCCCC(C)OC(C)CCC 7a_100000764384_200011218191 [0,3,0,0,0,0|0,0,0]=3 32939 B12R0.239 CCCCCC(C)OC(C)CCC 7a_100011215632_100000766640 [0,3,0,0,0,0|0,0,0]=3 32940 B12R0.239 CCCCCC(C)OC(C)CCO 34a_100011215632_100009893172 [0,3,0,0,0,0|1,0,0]=4 32941 B12R0.239 CCCCCC(C)OC(C)CCO 7a_100011215632_100009893172 [0,3,0,0,0,0|1,0,0]=4 32942 B12R0.239 CCCCCC(C)OC(C)COC 34a_100011215632_100000765312 [0,3,0,0,0,0|1,0,0]=4 32943 B12R0.239 CCCCCC(C)OC(C)COC 7a_100011215632_100000765312 [0,3,0,0,0,0|1,0,0]=4 32944 B12R0.239 CCCCCC(C)O[C@H](C)COC 34a_100011934205_200011218191 [0,3,0,0,0,0|1,0,0]=4 32945 B12R0.239 CCCCCC(C)SC(C)CCC 62a_100000766640_200011218191 [0,3,0,0,0,0|0,1,0]=4 32946 B12R0.239 CCCCCC(C)SC(C)CCC 62a_200011218191_100000766640 [0,3,0,0,0,0|0,1,0]=4 32947 B12R0.239 CCCCCN(C)CC(=O)CCC 2230a_100000223495_100000747444 [0,3,0,0,0,0|1,0,0]=4 32948 B12R0.239 CCCCCN(C)CC(=O)CCC 269982a_100000223495_100000747444 [0,3,0,0,0,0|1,0,0]=4 32949 B12R0.239 CCCCCN(C)CC(C)CCC 2230a_100000223495_100011216630 [0,3,0,0,0,0|1,0,0]=4 32950 B12R0.239 CCCCCN(C)CC(C)CCC 269982a_100000223495_100011216630 [0,3,0,0,0,0|1,0,0]=4 32951 B12R0.239 CCCCCN(C)CC(C)CCC 270004a_100000223495_100000243154 [0,3,0,0,0,0|1,0,0]=4 32952 B12R0.239 CCCCCN(C)CC(O)COC 2230a_100000739405_100000210326 [0,3,0,0,0,0|1,0,0]=4 32953 B12R0.239 CCCCCN(C)CC(O)COC 269982a_100000739405_100000210215 [0,3,0,0,0,0|1,0,0]=4 32954 B12R0.239 CCCCNC(=O)CC(C)CCC 11a_100000102301_100000748435 [0,3,0,0,0,0|1,0,0]=4 32955 B12R0.239 CCCCNC(=O)CC(C)CCC 1626a_100000102301_100000748435 [0,3,0,0,0,0|1,0,0]=4 32956 B12R0.239 CCCCNC(=O)CC(C)CCC 240690a_100000102301_100000748435 [0,3,0,0,0,0|1,0,0]=4 32957 B12R0.239 CCCCNC(=O)CC(C)CCC 527a_100000102301_100000748435 [0,3,0,0,0,0|1,0,0]=4 32958 B12R0.239 CCCCOC(=O)CC(=O)CCC 1458a_100000211992_100000211628 [0,3,0,0,0,0|0,0,1]=4 32959 B12R0.239 CCCCOC(=O)CN(C)CCC 2230a_100000747261_100000211628 [0,3,0,0,0,0|0,0,1]=4 32960 B12R0.239 CCCCOC(=O)CN(C)CCC 269982a_100000747261_100000211628 [0,3,0,0,0,0|0,0,1]=4 32961 B12R0.239 CCCCOC(C)CC(=O)OCC 7a_100000210227_100009817359 [0,3,0,0,0,0|0,0,1]=4 32962 B12R0.239 CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210211 [0,3,0,0,0,0|0,0,1]=4 32963 B12R0.239 CCCOCC(=O)CC(C)CCC 1458a_100000745993_100011216630 [0,3,0,0,0,0|1,0,0]=4 32964 B12R0.239 CCCOC[C@@H](C)OC(C)OCC 34a_200015424329_100000210303 [0,3,0,0,0,0|1,0,0]=4 32965 B12R0.239 CCCOC[C@@H](C)OC(C)OCC 7a_200015424329_100000210303 [0,3,0,0,0,0|1,0,0]=4 32966 B12R0.239 CCCSCC(=O)CC(C)CCC 1458a_100000217233_100011216630 [0,3,0,0,0,0|1,0,0]=4 32967 B12R0.239 CCCSCC(C)NC(C)CCC 270004a_100000741246_100011343953 [0,3,0,0,0,0|1,0,0]=4 32968 B12R0.239 COCCCC(C)OC(C)CCO 34a_200011539412_100009893172 [0,3,0,0,0,0|1,0,0]=4 32969 B12R0.239 COCCCC(C)OC(C)CCO 7a_200011539412_100009893172 [0,3,0,0,0,0|1,0,0]=4 32970 B12R0.239 COCCCC(C)OC(C)COC 34a_200011539412_100000765312 [0,3,0,0,0,0|1,0,0]=4 32971 B12R0.239 COCCCC(C)OC(C)COC 7a_200011539412_100000765312 [0,3,0,0,0,0|1,0,0]=4 32972 B12R0.276 CC(CCO)OCCC[C@@H](C)CN 34a_100160569302_100009893172 [0,3,0,0,0,0|1,0,0]=4 32973 B12R0.276 CCC(C)CCCOC(C)CCO 7a_100011216074_100009893172 [0,3,0,0,0,0|1,0,0]=4 32974 B12R0.276 CCC(C)CCCOC(C)COC 7a_100011216074_100000765312 [0,3,0,0,0,0|1,0,0]=4 32975 B12R0.276 CCC(C)CCOCC(O)COC 7a_100011215188_100011215053 [0,3,0,0,0,0|0,0,0]=3 32976 B12R0.276 CCC(C)CCOC[C@@H](O)CC#N 7a_100011215188_100000001066 [0,3,0,0,0,0|0,0,1]=4 32977 B12R0.276 CCCC(=O)CNCCC(C)CC 2230a_100020591266_100000747444 [0,3,0,0,0,0|1,0,0]=4 32978 B12R0.276 CCCC(=O)COCCC(C)CC 7a_100011215188_100000747444 [0,3,0,0,0,0|0,0,0]=3 32979 B12R0.276 CCCC(=O)COCCC(C)OC 7a_100000764861_100000747444 [0,3,0,0,0,0|0,0,1]=4 32980 B12R0.276 CCCC(=O)OCNCC(C)CC 2230a_100020588543_100000034017 [0,3,0,0,0,0|0,0,1]=4 32981 B12R0.276 CCCC(=O)OCNCC(O)CC 2230a_100011218483_100000034017 [0,3,0,0,0,0|0,0,1]=4 32982 B12R0.276 CCCC(=O)OCSCC(C)CC 62a_100000748023_100000034017 [0,3,0,0,0,0|0,0,1]=4 32983 B12R0.276 CCCC(=O)OCSCC(O)CC 62a_100011218378_100000034017 [0,3,0,0,0,0|0,0,1]=4 32984 B12R0.276 CCCC(=O)OCSC[C@@H](C)CC 62a_100009816398_100000034017 [0,3,0,0,0,0|0,0,1]=4 32985 B12R0.276 CCCC(C)CCCOC(C)CC 34a_100011713154_100011215416 [0,3,0,0,0,0|1,0,0]=4 32986 B12R0.276 CCCC(C)CCCOC(C)CC 7a_100011713154_100000758301 [0,3,0,0,0,0|1,0,0]=4 32987 B12R0.276 CCCC(C)CCOCC(=O)CC 7a_100011217855_100000747405 [0,3,0,0,0,0|0,0,1]=4 32988 B12R0.276 CCCC(C)CCOCC(C)CC 34a_100011217855_100000748023 [0,3,0,0,0,0|0,0,0]=3 32989 B12R0.276 CCCC(C)CCOCC(C)CC 7a_100011217855_100000748023 [0,3,0,0,0,0|0,0,0]=3 32990 B12R0.276 CCCC(C)CCOCC(O)CC 34a_100011217855_100011218378 [0,3,0,0,0,0|0,0,0]=3 32991 B12R0.276 CCCC(C)CCOCC(O)CC 7a_100011217855_100011218378 [0,3,0,0,0,0|0,0,0]=3 32992 B12R0.276 CCCC(C)CCOCC(O)CO 34a_100011217855_100011219619 [0,3,0,0,0,0|1,0,0]=4 32993 B12R0.276 CCCC(C)CCOCC(O)CO 7a_100011217855_100011219619 [0,3,0,0,0,0|1,0,0]=4 32994 B12R0.276 CCCC(C)CCOC[C@@H](C)CC 34a_100011217855_100009816398 [0,3,0,0,0,0|0,0,0]=3 32995 B12R0.276 CCCC(C)CCOC[C@@H](C)CC 7a_100011217855_100009816398 [0,3,0,0,0,0|0,0,0]=3 32996 B12R0.276 CCCC(C)CCOC[C@@H](C)CO 34a_100011217855_100000059175 [0,3,0,0,0,0|1,0,0]=4 32997 B12R0.276 CCCC(C)CCOC[C@@H](C)CO 7a_100011217855_100000059175 [0,3,0,0,0,0|1,0,0]=4 32998 B12R0.276 CCCC(C)CCOC[C@@H](O)CF 34a_100011217855_100015614560 [0,3,0,0,0,0|1,0,0]=4 32999 B12R0.276 CCCC(C)CCOC[C@@H](O)CF 7a_100011217855_100015614560 [0,3,0,0,0,0|1,0,0]=4 33000 B12R0.276 CCCC(C)CCOC[C@@H](O)CO 34a_100011217855_100009815848 [0,3,0,0,0,0|1,0,0]=4 33001 B12R0.276 CCCC(C)CCOC[C@@H](O)CO 7a_100011217855_100009815848 [0,3,0,0,0,0|1,0,0]=4 33002 B12R0.276 CCCC(C)CNCCC(C)CC 2230a_100020591266_100011216630 [0,3,0,0,0,0|1,0,0]=4 33003 B12R0.276 CCCC(C)CNCCC(C)CC 270004a_100020591266_100000243154 [0,3,0,0,0,0|1,0,0]=4 33004 B12R0.276 CCCC(C)CNCCC(C)CO 2230a_106354213184_100011216630 [0,3,0,0,0,0|1,0,0]=4 33005 B12R0.276 CCCC(C)CNCCC(C)CO 270004a_106354213184_100000243154 [0,3,0,0,0,0|1,0,0]=4 33006 B12R0.276 CCCC(C)CNCCC(C)CO 34a_106354213184_100011216630 [0,3,0,0,0,0|1,0,0]=4 33007 B12R0.276 CCCC(C)COCCC(=O)NC 34a_100000688023_100012179268 [0,3,0,0,0,0|0,0,1]=4 33008 B12R0.276 CCCC(C)COCCC(=O)NC 34a_100000754576_100011216630 [0,3,0,0,0,0|0,0,1]=4 33009 B12R0.276 CCCC(C)COCCC(=O)NC 7a_100000688023_100000737683 [0,3,0,0,0,0|0,0,1]=4 33010 B12R0.276 CCCC(C)COCCC(=O)OC 34a_100000688023_100000742370 [0,3,0,0,0,0|0,0,1]=4 33011 B12R0.276 CCCC(C)COCCC(=O)OC 7a_100000688023_100000204255 [0,3,0,0,0,0|0,0,1]=4 33012 B12R0.276 CCCC(C)COCCC(C)CC 7a_100011215188_100011216630 [0,3,0,0,0,0|0,0,0]=3 33013 B12R0.276 CCCC(C)COCCC(C)OC 7a_100000764861_100011216630 [0,3,0,0,0,0|0,0,0]=3 33014 B12R0.276 CCCC(C)NCCCN(C)CC 2230a_100000741246_100015186262 [0,3,0,0,0,0|1,0,0]=4 33015 B12R0.276 CCCC(C)OCCCC(=O)NC 34a_100000764384_100000741757 [0,3,0,0,0,0|0,0,1]=4 33016 B12R0.276 CCCC(C)OCCCC(=O)NC 7a_100000764384_100000741757 [0,3,0,0,0,0|0,0,1]=4 33017 B12R0.276 CCCC(C)OCCCC(=O)OC 34a_100000764384_100000742333 [0,3,0,0,0,0|0,0,1]=4 33018 B12R0.276 CCCC(C)OCCCC(=O)OC 7a_100000764384_100011218270 [0,3,0,0,0,0|0,0,1]=4 33019 B12R0.276 CCCC(C)OCCCC(C)CC 7a_100011216074_100000766640 [0,3,0,0,0,0|0,0,0]=3 33020 B12R0.276 CCCC(C)OCCCN(C)CC 7a_100000764384_100015186262 [0,3,0,0,0,0|0,0,0]=3 33021 B12R0.276 CCCC(C)OCCC[C@@H](C)CN 34a_100160569302_100000766640 [0,3,0,0,0,0|0,0,0]=3 33022 B12R0.276 CCCC(C)OCCNC(=O)CC 34a_200000158885_100000766640 [0,3,0,0,0,0|0,0,1]=4 33023 B12R0.276 CCCC(C)OCCNC(=O)CC 7a_200000158885_100000766640 [0,3,0,0,0,0|0,0,1]=4 33024 B12R0.276 CCCC(C)OCCOC(=O)CC 7a_200000031056_100000766640 [0,3,0,0,0,0|0,0,1]=4 33025 B12R0.276 CCCC(C)SCCCN(C)CC 62a_100000766640_100015186262 [0,3,0,0,0,0|0,1,0]=4 33026 B12R0.276 CCC[C@H](N)CCOCC(C)CC 34a_100015193777_100000748023 [0,3,0,0,0,0|0,0,0]=3 33027 B12R0.276 CCC[C@H](N)CCOCC(O)CC 34a_100015193777_100011218378 [0,3,0,0,0,0|0,0,0]=3 33028 B12R0.276 CCC[C@H](N)CCOCC(O)CO 34a_100015193777_100011219619 [0,3,0,0,0,0|1,0,0]=4 33029 B12R0.276 CCC[C@H](N)CCOC[C@@H](C)CC 34a_100015193777_100009816398 [0,3,0,0,0,0|0,0,0]=3 33030 B12R0.276 CCC[C@H](N)CCOC[C@@H](C)CO 34a_100015193777_100000059175 [0,3,0,0,0,0|1,0,0]=4 33031 B12R0.276 CCC[C@H](N)CCOC[C@@H](O)CF 34a_100015193777_100015614560 [0,3,0,0,0,0|1,0,0]=4 33032 B12R0.276 CCC[C@H](N)CCOC[C@@H](O)CO 34a_100015193777_100009815848 [0,3,0,0,0,0|1,0,0]=4 33033 B12R0.276 CCC[C@H](N)COCCC(=O)NC 34a_100000732646_100012179268 [0,3,0,0,0,0|0,0,1]=4 33034 B12R0.276 CCC[C@H](N)COCCC(=O)OC 34a_100000732646_100000742370 [0,3,0,0,0,0|0,0,1]=4 33035 B12R0.276 CCNC(=O)CCOC[C@@H](C)CC 7a_100009816381_100000737597 [0,3,0,0,0,0|0,0,1]=4 33036 B12R0.276 CCNC(=O)COCCC(C)CC 7a_100011215188_100000183381 [0,3,0,0,0,0|0,0,1]=4 33037 B12R0.276 CCOC(=O)CCOC[C@@H](C)CC 7a_100009816381_100011206558 [0,3,0,0,0,0|0,0,1]=4 33038 B12R0.276 CCOC(=O)COCCC(C)CC 7a_100011215188_100000188475 [0,3,0,0,0,0|0,0,1]=4 33039 B12R0.276 COCC(C)OCCC[C@@H](C)CN 34a_100160569302_100000765312 [0,3,0,0,0,0|1,0,0]=4 33040 B12R0.276 COCC(O)COCCC(C)OC 7a_100000764861_100011215053 [0,3,0,0,0,0|1,0,0]=4 33041 B12R0.277 C=C(C)CCOCCC(C)CCC 34a_100011217855_100000730704 [0,3,0,0,0,0|0,0,1]=4 33042 B12R0.277 C=C(C)CCOCCC(C)CCC 7a_100011217855_100000730704 [0,3,0,0,0,0|0,0,1]=4 33043 B12R0.277 C=C(C)CCOCC[C@@H](N)CCC 34a_100015193777_100000730704 [0,3,0,0,0,0|0,0,1]=4 33044 B12R0.277 C=CCC(C)COCCCC(C)C 34a_100009832082_100011214892 [0,3,0,0,0,0|0,0,1]=4 33045 B12R0.277 C=CCC(C)COCCCC(C)C 7a_100009832082_100011214892 [0,3,0,0,0,0|0,0,1]=4 33046 B12R0.277 C=CCC(C)COCCCC(C)O 34a_100009832082_200000718107 [0,3,0,0,0,0|0,0,1]=4 33047 B12R0.277 C=CCC(C)COCCCC(C)O 7a_100009832082_200000718107 [0,3,0,0,0,0|0,0,1]=4 33048 B12R0.277 C=CC[C@@H](N)COCCCC(C)C 34a_100020615467_100011214892 [0,3,0,0,0,0|0,0,1]=4 33049 B12R0.277 C=CC[C@@H](N)COCCCC(C)O 34a_100020615467_200000718107 [0,3,0,0,0,0|0,0,1]=4 33050 B12R0.277 CC(=O)CCCCOC(C)CCBr 34a_100012276601_100009817362 [0,3,0,0,0,0|1,0,0]=4 33051 B12R0.277 CC(=O)CCCOCC(C)CCN 34a_106354213184_100000685027 [0,3,0,0,0,0|0,0,1]=4 33052 B12R0.277 CC(C)CCCCOC(C)CCBr 34a_100012276601_100011216152 [0,3,0,0,0,0|1,0,0]=4 33053 B12R0.277 CC(C)CCCCOC(C)CCO 34a_100011214890_100009893172 [0,3,0,0,0,0|1,0,0]=4 33054 B12R0.277 CC(C)CCCCOC(C)CCO 7a_100011214890_100009893172 [0,3,0,0,0,0|1,0,0]=4 33055 B12R0.277 CC(C)CCCOCC(C)CCN 34a_106354213184_100011214892 [0,3,0,0,0,0|0,0,0]=3 33056 B12R0.277 CC(C)CCCOC[C@@H](O)CC#N 7a_100000210774_100000001066 [0,3,0,0,0,0|0,0,1]=4 33057 B12R0.277 CC(C)CNCCOC(C)CCO 34a_100015185251_100009893172 [0,3,0,0,0,0|1,0,0]=4 33058 B12R0.277 CC(C)COCCOC(C)CCO 34a_100000703358_100009893172 [0,3,0,0,0,0|1,0,0]=4 33059 B12R0.277 CC(C)COCCOC(C)CCO 7a_100000703358_100009893172 [0,3,0,0,0,0|1,0,0]=4 33060 B12R0.277 CC(C)CSCCOC(C)CCO 34a_200000230437_100009893172 [0,3,0,0,0,0|1,0,0]=4 33061 B12R0.277 CC(C)CSCCOC(C)CCO 7a_200000230437_100009893172 [0,3,0,0,0,0|1,0,0]=4 33062 B12R0.277 CC(C)NCCCOC(C)CCO 34a_100000182298_100009893172 [0,3,0,0,0,0|1,0,0]=4 33063 B12R0.277 CC(CCN)COCCOC(C)C 34a_106354213184_100000211751 [0,3,0,0,0,0|1,0,0]=4 33064 B12R0.277 CC(CCN)COCCSC(C)C 34a_106354213184_100000730970 [0,3,0,0,0,0|1,0,0]=4 33065 B12R0.277 CC(O)CCCOCC(C)CCN 34a_106354213184_200000718107 [0,3,0,0,0,0|0,0,0]=3 33066 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000211992_100000210682 [0,3,0,0,0,0|1,0,0]=4 33067 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210303 [0,3,0,0,0,0|1,0,0]=4 33068 B12R0.277 CCCC(=O)CNCCCC(C)C 2230a_200000737386_100000747444 [0,3,0,0,0,0|1,0,0]=4 33069 B12R0.277 CCCC(=O)COCCCC(=O)C 7a_100000759063_100000747444 [0,3,0,0,0,0|0,0,1]=4 33070 B12R0.277 CCCC(=O)COCCCC(C)C 7a_100000210774_100000747444 [0,3,0,0,0,0|0,0,0]=3 33071 B12R0.277 CCCC(=O)COCCOC(C)C 7a_100000211219_100000747444 [0,3,0,0,0,0|0,0,1]=4 33072 B12R0.277 CCCC(=O)COCCSC(C)C 7a_200011212901_100000747444 [0,3,0,0,0,0|0,0,1]=4 33073 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100000747444_100011214892 [0,3,0,0,0,0|0,1,0]=4 33074 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100011214892_100000747444 [0,3,0,0,0,0|0,1,0]=4 33075 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_100000747444_200000718107 [0,3,0,0,0,0|0,1,0]=4 33076 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_200000718107_100000747444 [0,3,0,0,0,0|0,1,0]=4 33077 B12R0.277 CCCC(=O)OCNCCC(C)O 2230a_200000755665_100000034017 [0,3,0,0,0,0|0,0,1]=4 33078 B12R0.277 CCCC(=O)OCOCCC(C)Br 34a_100009893172_100000034017 [0,3,0,0,0,0|0,0,1]=4 33079 B12R0.277 CCCC(=O)OCOCCC(C)C 34a_100000210254_100000034017 [0,3,0,0,0,0|0,0,1]=4 33080 B12R0.277 CCCC(=O)OCOCC[C@@H](C)N 34a_100000706166_100000034017 [0,3,0,0,0,0|0,0,1]=4 33081 B12R0.277 CCCC(=O)OCSCCC(C)C 62a_100000210312_100000034017 [0,3,0,0,0,0|0,0,1]=4 33082 B12R0.277 CCCC(=O)OCSCCC(C)O 62a_100012276601_100000034017 [0,3,0,0,0,0|0,0,1]=4 33083 B12R0.277 CCCC(C)CCCOCC(C)C 34a_100011713154_100000210624 [0,3,0,0,0,0|1,0,0]=4 33084 B12R0.277 CCCC(C)CCCOCC(C)C 7a_100011713154_100000210760 [0,3,0,0,0,0|1,0,0]=4 33085 B12R0.277 CCCC(C)CCCOCC(C)O 34a_100011713154_100011218427 [0,3,0,0,0,0|1,0,0]=4 33086 B12R0.277 CCCC(C)CCCOCC(C)O 7a_100011713154_100011218427 [0,3,0,0,0,0|1,0,0]=4 33087 B12R0.277 CCCC(C)CCCOC[C@@H](C)O 34a_100011713154_100009817552 [0,3,0,0,0,0|1,0,0]=4 33088 B12R0.277 CCCC(C)CCCOC[C@@H](C)O 7a_100011713154_100009817552 [0,3,0,0,0,0|1,0,0]=4 33089 B12R0.277 CCCC(C)CCOCCC(=O)C 7a_100011217855_100000053229 [0,3,0,0,0,0|0,0,1]=4 33090 B12R0.277 CCCC(C)CCOCCC(C)C 34a_100011217855_100000210312 [0,3,0,0,0,0|0,0,0]=3 33091 B12R0.277 CCCC(C)CCOCCC(C)C 7a_100011217855_100000210626 [0,3,0,0,0,0|0,0,0]=3 33092 B12R0.277 CCCC(C)CCOCCC(C)O 34a_100011217855_100012276601 [0,3,0,0,0,0|0,0,0]=3 33093 B12R0.277 CCCC(C)CCOCCC(C)O 7a_100011217855_100012276601 [0,3,0,0,0,0|0,0,0]=3 33094 B12R0.277 CCCC(C)CCOCCN(C)C 7a_100011217855_100000755713 [0,3,0,0,0,0|1,0,0]=4 33095 B12R0.277 CCCC(C)CCOCOC(C)C 34a_100011217855_100000709892 [0,3,0,0,0,0|1,0,0]=4 33096 B12R0.277 CCCC(C)CNCCCC(C)C 2230a_200000737386_100011216630 [0,3,0,0,0,0|1,0,0]=4 33097 B12R0.277 CCCC(C)CNCCCC(C)C 270004a_200000737386_100000243154 [0,3,0,0,0,0|1,0,0]=4 33098 B12R0.277 CCCC(C)CNCCCC(C)C 34a_200000737386_100011216630 [0,3,0,0,0,0|1,0,0]=4 33099 B12R0.277 CCCC(C)CNCCCN(C)C 270004a_102531767803_100000243154 [0,3,0,0,0,0|1,0,0]=4 33100 B12R0.277 CCCC(C)CNCCCS(=O)C 2230a_200000753449_100011216630 [0,3,0,0,0,0|1,0,0]=4 33101 B12R0.277 CCCC(C)CNCCCS(=O)C 270004a_200000753449_100000243154 [0,3,0,0,0,0|1,0,0]=4 33102 B12R0.277 CCCC(C)CNCCOC(C)C 2230a_100000701111_100011216630 [0,3,0,0,0,0|1,0,0]=4 33103 B12R0.277 CCCC(C)CNCCOC(C)C 270004a_100000701111_100000243154 [0,3,0,0,0,0|1,0,0]=4 33104 B12R0.277 CCCC(C)CNCCOC(C)C 34a_100000701111_100011216630 [0,3,0,0,0,0|1,0,0]=4 33105 B12R0.277 CCCC(C)CNCCSC(C)C 2230a_100000731138_100011216630 [0,3,0,0,0,0|1,0,0]=4 33106 B12R0.277 CCCC(C)CNCCSC(C)C 270004a_100000731138_100000243154 [0,3,0,0,0,0|1,0,0]=4 33107 B12R0.277 CCCC(C)CNCCSC(C)C 34a_100000731138_100011216630 [0,3,0,0,0,0|1,0,0]=4 33108 B12R0.277 CCCC(C)COCCC=C(C)C 34a_100000688023_100011217483 [0,3,0,0,0,0|0,0,1]=4 33109 B12R0.277 CCCC(C)COCCC=C(C)C 7a_100000688023_100011217483 [0,3,0,0,0,0|0,0,1]=4 33110 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000688023_100000685027 [0,3,0,0,0,0|0,0,0]=3 33111 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000759063_100011216630 [0,3,0,0,0,0|0,0,0]=3 33112 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000688023_100011215641 [0,3,0,0,0,0|0,0,0]=3 33113 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000759063_100011216630 [0,3,0,0,0,0|0,0,0]=3 33114 B12R0.277 CCCC(C)COCCCC(=O)N 34a_100000688023_100102525003 [0,3,0,0,0,0|0,0,1]=4 33115 B12R0.277 CCCC(C)COCCCC(=O)N 7a_100000688023_100102525003 [0,3,0,0,0,0|0,0,1]=4 33116 B12R0.277 CCCC(C)COCCCC(C)C 34a_100000210774_100011216630 [0,3,0,0,0,0|0,0,0]=3 33117 B12R0.277 CCCC(C)COCCCC(C)C 34a_100000688023_100011214892 [0,3,0,0,0,0|0,0,0]=3 33118 B12R0.277 CCCC(C)COCCCC(C)C 7a_100000210774_100011216630 [0,3,0,0,0,0|0,0,0]=3 33119 B12R0.277 CCCC(C)COCCCC(C)C 7a_100000688023_100011214892 [0,3,0,0,0,0|0,0,0]=3 33120 B12R0.277 CCCC(C)COCCCC(C)O 34a_100000688023_200000718107 [0,3,0,0,0,0|0,0,0]=3 33121 B12R0.277 CCCC(C)COCCCC(C)O 7a_100000688023_200000718107 [0,3,0,0,0,0|0,0,0]=3 33122 B12R0.277 CCCC(C)COCCCN(C)C 7a_100000688023_100000757444 [0,3,0,0,0,0|0,0,0]=3 33123 B12R0.277 CCCC(C)COCCC[N+](=O)[O-] 34a_200000037920_100011216630 [0,3,0,0,0,0|1,0,0]=4 33124 B12R0.277 CCCC(C)COCCNC(=O)C 34a_100000158858_100011216630 [0,3,0,0,0,0|0,0,1]=4 33125 B12R0.277 CCCC(C)COCCNC(=O)C 7a_100000688023_100000189650 [0,3,0,0,0,0|0,0,1]=4 33126 B12R0.277 CCCC(C)COCCNC(C)C 34a_100000224655_100011216630 [0,3,0,0,0,0|0,0,0]=3 33127 B12R0.277 CCCC(C)COCCOC(=O)C 34a_100000688023_100009814007 [0,3,0,0,0,0|0,0,1]=4 33128 B12R0.277 CCCC(C)COCCOC(=O)C 7a_100000688023_100009814007 [0,3,0,0,0,0|0,0,1]=4 33129 B12R0.277 CCCC(C)COCCOC(C)C 34a_100000211219_100011216630 [0,3,0,0,0,0|0,0,0]=3 33130 B12R0.277 CCCC(C)COCCOC(C)C 34a_100000688023_100000211751 [0,3,0,0,0,0|0,0,0]=3 33131 B12R0.277 CCCC(C)COCCOC(C)C 7a_100000211219_100011216630 [0,3,0,0,0,0|0,0,0]=3 33132 B12R0.277 CCCC(C)COCCOC(C)C 7a_100000688023_100000211751 [0,3,0,0,0,0|0,0,0]=3 33133 B12R0.277 CCCC(C)COCCSC(C)C 34a_100000688023_100000730970 [0,3,0,0,0,0|0,0,0]=3 33134 B12R0.277 CCCC(C)COCCSC(C)C 34a_200011212901_100011216630 [0,3,0,0,0,0|0,0,0]=3 33135 B12R0.277 CCCC(C)COCCSC(C)C 7a_100000688023_100000730970 [0,3,0,0,0,0|0,0,0]=3 33136 B12R0.277 CCCC(C)COCCSC(C)C 7a_200011212901_100011216630 [0,3,0,0,0,0|0,0,0]=3 33137 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011215641_100011216630 [0,3,0,0,0,0|0,1,0]=4 33138 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011216630_100011215641 [0,3,0,0,0,0|0,1,0]=4 33139 B12R0.277 CCCC(C)CSCCCC(C)C 62a_100011214892_100011216630 [0,3,0,0,0,0|0,1,0]=4 33140 B12R0.277 CCCC(C)CSCCCC(C)C 62a_100011216630_100011214892 [0,3,0,0,0,0|0,1,0]=4 33141 B12R0.277 CCCC(C)CSCCCC(C)O 62a_100011216630_200000718107 [0,3,0,0,0,0|0,1,0]=4 33142 B12R0.277 CCCC(C)CSCCCC(C)O 62a_200000718107_100011216630 [0,3,0,0,0,0|0,1,0]=4 33143 B12R0.277 CCCC(C)CSCCCN(C)C 62a_100011216630_100000757444 [0,3,0,0,0,0|0,1,0]=4 33144 B12R0.277 CCCC(C)CSCCOC(C)C 62a_100000211751_100011216630 [0,3,0,0,0,0|0,1,0]=4 33145 B12R0.277 CCCC(C)CSCCOC(C)C 62a_100011216630_100000211751 [0,3,0,0,0,0|0,1,0]=4 33146 B12R0.277 CCCC(C)CSCCSC(C)C 62a_100000730970_100011216630 [0,3,0,0,0,0|0,1,0]=4 33147 B12R0.277 CCCC(C)CSCCSC(C)C 62a_100011216630_100000730970 [0,3,0,0,0,0|0,1,0]=4 33148 B12R0.277 CCCC(C)NCCCCC(C)C 2230a_100000741246_100011216152 [0,3,0,0,0,0|1,0,0]=4 33149 B12R0.277 CCCC(C)NCCCOC(C)C 2230a_100000737246_100000766640 [0,3,0,0,0,0|1,0,0]=4 33150 B12R0.277 CCCC(C)NCCCOC(C)C 270004a_100000737246_100000211909 [0,3,0,0,0,0|1,0,0]=4 33151 B12R0.277 CCCC(C)NCCCOC(C)C 34a_100000737246_100000766640 [0,3,0,0,0,0|1,0,0]=4 33152 B12R0.277 CCCC(C)OCCCCB(O)O 34a_100000764384_200009817182 [0,3,0,0,0,0|1,0,0]=4 33153 B12R0.277 CCCC(C)OCCCCB(O)O 7a_100000764384_200009817182 [0,3,0,0,0,0|1,0,0]=4 33154 B12R0.277 CCCC(C)OCCCCC(=O)C 34a_100000764384_100009817362 [0,3,0,0,0,0|0,0,0]=3 33155 B12R0.277 CCCC(C)OCCCCC(=O)C 7a_100000764384_100000735457 [0,3,0,0,0,0|0,0,0]=3 33156 B12R0.277 CCCC(C)OCCCCC(=O)N 34a_100012022536_100000766640 [0,3,0,0,0,0|0,0,1]=4 33157 B12R0.277 CCCC(C)OCCCCC(=O)N 7a_100012022536_100000766640 [0,3,0,0,0,0|0,0,1]=4 33158 B12R0.277 CCCC(C)OCCCCC(C)C 34a_100000764384_100011216152 [0,3,0,0,0,0|0,0,0]=3 33159 B12R0.277 CCCC(C)OCCCCC(C)C 34a_100011214890_100000766640 [0,3,0,0,0,0|0,0,0]=3 33160 B12R0.277 CCCC(C)OCCCCC(C)C 7a_100000764384_100011216152 [0,3,0,0,0,0|0,0,0]=3 33161 B12R0.277 CCCC(C)OCCCCC(C)C 7a_100011214890_100000766640 [0,3,0,0,0,0|0,0,0]=3 33162 B12R0.277 CCCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_100000766640 [0,3,0,0,0,0|1,0,0]=4 33163 B12R0.277 CCCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_100000766640 [0,3,0,0,0,0|1,0,0]=4 33164 B12R0.277 CCCC(C)OCCCNC(=O)C 34a_100000752032_100000766640 [0,3,0,0,0,0|0,0,1]=4 33165 B12R0.277 CCCC(C)OCCCNC(C)C 34a_100000182298_100000766640 [0,3,0,0,0,0|0,0,0]=3 33166 B12R0.277 CCCC(C)OCCCOC(=O)C 34a_100000764384_100000042594 [0,3,0,0,0,0|0,0,1]=4 33167 B12R0.277 CCCC(C)OCCCOC(=O)C 7a_100000764384_100000042594 [0,3,0,0,0,0|0,0,1]=4 33168 B12R0.277 CCCC(C)OCCCOC(=S)C 34a_100000764384_200135323944 [0,3,0,0,0,0|0,0,1]=4 33169 B12R0.277 CCCC(C)OCCCOC(=S)C 7a_100000764384_200135323944 [0,3,0,0,0,0|0,0,1]=4 33170 B12R0.277 CCCC(C)OCCCSC(=O)C 34a_100000764384_100000038929 [0,3,0,0,0,0|0,0,1]=4 33171 B12R0.277 CCCC(C)OCCCSC(=O)C 7a_100000764384_100000038929 [0,3,0,0,0,0|0,0,1]=4 33172 B12R0.277 CCCC(C)OCCNCC(C)C 34a_100015185251_100000766640 [0,3,0,0,0,0|0,0,0]=3 33173 B12R0.277 CCCC(C)OCCOCC(C)C 34a_100000703358_100000766640 [0,3,0,0,0,0|0,0,0]=3 33174 B12R0.277 CCCC(C)OCCOCC(C)C 7a_100000703358_100000766640 [0,3,0,0,0,0|0,0,0]=3 33175 B12R0.277 CCCC(C)OCCOCC(F)F 34a_100000704375_100000766640 [0,3,0,0,0,0|1,0,0]=4 33176 B12R0.277 CCCC(C)OCCOCC(F)F 34a_100000764384_200012177212 [0,3,0,0,0,0|1,0,0]=4 33177 B12R0.277 CCCC(C)OCCOCC(F)F 7a_100000704375_100000766640 [0,3,0,0,0,0|1,0,0]=4 33178 B12R0.277 CCCC(C)OCCOCC(F)F 7a_100000764384_200012177212 [0,3,0,0,0,0|1,0,0]=4 33179 B12R0.277 CCCC(C)OCCSCC(C)C 34a_200000230437_100000766640 [0,3,0,0,0,0|0,0,0]=3 33180 B12R0.277 CCCC(C)OCCSCC(C)C 7a_200000230437_100000766640 [0,3,0,0,0,0|0,0,0]=3 33181 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000735457_100000766640 [0,3,0,0,0,0|0,1,0]=4 33182 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000766640_100000735457 [0,3,0,0,0,0|0,1,0]=4 33183 B12R0.277 CCCC(C)SCCCCC(C)C 62a_100000766640_100011216152 [0,3,0,0,0,0|0,1,0]=4 33184 B12R0.277 CCCC(C)SCCCCC(C)C 62a_100011216152_100000766640 [0,3,0,0,0,0|0,1,0]=4 33185 B12R0.277 CCCC(C)SCCCCN(C)C 62a_100000766640_100000690147 [0,3,0,0,0,0|0,1,0]=4 33186 B12R0.277 CCCN(C)CCCCCC(C)C 2230a_100000747261_100000210682 [0,3,0,0,0,0|1,0,0]=4 33187 B12R0.277 CCCN(C)CCCCCC(C)C 269982a_100000747261_100000210682 [0,3,0,0,0,0|1,0,0]=4 33188 B12R0.277 CCC[C@H](N)CCOCCC(C)C 34a_100015193777_100000210312 [0,3,0,0,0,0|0,0,0]=3 33189 B12R0.277 CCC[C@H](N)CCOCCC(C)O 34a_100015193777_100012276601 [0,3,0,0,0,0|0,0,0]=3 33190 B12R0.277 CCC[C@H](N)CCOCOC(C)C 34a_100015193777_100000709892 [0,3,0,0,0,0|1,0,0]=4 33191 B12R0.277 CCC[C@H](N)COCCC=C(C)C 34a_100000732646_100011217483 [0,3,0,0,0,0|0,0,1]=4 33192 B12R0.277 CCC[C@H](N)COCCCC(=O)C 34a_100000732646_100000685027 [0,3,0,0,0,0|0,0,0]=3 33193 B12R0.277 CCC[C@H](N)COCCCC(=O)N 34a_100000732646_100102525003 [0,3,0,0,0,0|0,0,1]=4 33194 B12R0.277 CCC[C@H](N)COCCCC(C)C 34a_100000732646_100011214892 [0,3,0,0,0,0|0,0,0]=3 33195 B12R0.277 CCC[C@H](N)COCCCC(C)O 34a_100000732646_200000718107 [0,3,0,0,0,0|0,0,0]=3 33196 B12R0.277 CCC[C@H](N)COCCOC(=O)C 34a_100000732646_100009814007 [0,3,0,0,0,0|0,0,1]=4 33197 B12R0.277 CCC[C@H](N)COCCOC(C)C 34a_100000732646_100000211751 [0,3,0,0,0,0|0,0,0]=3 33198 B12R0.277 CCC[C@H](N)COCCSC(C)C 34a_100000732646_100000730970 [0,3,0,0,0,0|0,0,0]=3 33199 B12R0.277 CCNC(=O)CCOCCC(C)C 7a_100000210254_100000737597 [0,3,0,0,0,0|0,0,1]=4 33200 B12R0.277 CCNC(=O)COCCCC(C)C 34a_100000210774_100000183381 [0,3,0,0,0,0|0,0,1]=4 33201 B12R0.277 CCNC(=O)COCCCC(C)C 7a_100000210774_100000183381 [0,3,0,0,0,0|0,0,1]=4 33202 B12R0.277 CCOC(=O)CCOCCC(C)Br 34a_100009893172_100000765890 [0,3,0,0,0,0|0,0,1]=4 33203 B12R0.277 CCOC(=O)CCOCCC(C)C 34a_100000210254_100000765890 [0,3,0,0,0,0|0,0,1]=4 33204 B12R0.277 CCOC(=O)CCOCCC(C)C 7a_100000210254_100011206558 [0,3,0,0,0,0|0,0,1]=4 33205 B12R0.277 CCOC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000765890 [0,3,0,0,0,0|0,0,1]=4 33206 B12R0.277 CCOC(=O)COCCCC(C)C 34a_100000210774_100000188475 [0,3,0,0,0,0|0,0,1]=4 33207 B12R0.277 CCOC(=O)COCCCC(C)C 7a_100000210774_100000188475 [0,3,0,0,0,0|0,0,1]=4 33208 B12R0.277 COCC(C)OCCCCC(C)C 34a_100011214890_100000765312 [0,3,0,0,0,0|1,0,0]=4 33209 B12R0.277 COCC(C)OCCCCC(C)C 7a_100011214890_100000765312 [0,3,0,0,0,0|1,0,0]=4 33210 B12R0.277 COCC(C)OCCCNC(C)C 34a_100000182298_100000765312 [0,3,0,0,0,0|1,0,0]=4 33211 B12R0.277 COCC(C)OCCNCC(C)C 34a_100015185251_100000765312 [0,3,0,0,0,0|1,0,0]=4 33212 B12R0.277 COCC(C)OCCOCC(C)C 34a_100000703358_100000765312 [0,3,0,0,0,0|1,0,0]=4 33213 B12R0.277 COCC(C)OCCOCC(C)C 7a_100000703358_100000765312 [0,3,0,0,0,0|1,0,0]=4 33214 B12R0.277 COCC(C)OCCSCC(C)C 34a_200000230437_100000765312 [0,3,0,0,0,0|1,0,0]=4 33215 B12R0.277 COCC(C)OCCSCC(C)C 7a_200000230437_100000765312 [0,3,0,0,0,0|1,0,0]=4 33216 B12R0.277 COCC(N)COCCCC(=O)C 34a_100000724102_100000685027 [0,3,0,0,0,0|0,0,1]=4 33217 B12R0.277 COCC(N)COCCCC(C)C 34a_100000724102_100011214892 [0,3,0,0,0,0|0,0,0]=3 33218 B12R0.277 COCC(N)COCCCC(C)O 34a_100000724102_200000718107 [0,3,0,0,0,0|0,0,0]=3 33219 B12R0.277 COCC(N)COCCOC(C)C 34a_100000724102_100000211751 [0,3,0,0,0,0|1,0,0]=4 33220 B12R0.277 COCC(N)COCCSC(C)C 34a_100000724102_100000730970 [0,3,0,0,0,0|1,0,0]=4 33221 B12R0.277 COCC(O)CNCCCC(C)C 2230a_100000756049_100011214892 [0,3,0,0,0,0|1,0,0]=4 33222 B12R0.277 COCC(O)CNCCCC(C)C 34a_100000756049_100011214892 [0,3,0,0,0,0|1,0,0]=4 33223 B12R0.277 COCC(O)CNCCCC(C)C 34a_200000737386_100011215053 [0,3,0,0,0,0|1,0,0]=4 33224 B12R0.277 COCC(O)CNCCCC(C)O 2230a_100000756049_200000718107 [0,3,0,0,0,0|1,0,0]=4 33225 B12R0.277 COCC(O)CNCCCC(C)O 34a_100000756049_200000718107 [0,3,0,0,0,0|1,0,0]=4 33226 B12R0.277 COCC(O)COCCCC(=O)C 34a_100000759063_100011215053 [0,3,0,0,0,0|0,0,1]=4 33227 B12R0.277 COCC(O)COCCCC(=O)C 7a_100000759063_100011215053 [0,3,0,0,0,0|0,0,1]=4 33228 B12R0.277 COCC(O)COCCCC(C)C 34a_100000210774_100011215053 [0,3,0,0,0,0|0,0,0]=3 33229 B12R0.277 COCC(O)COCCCC(C)C 7a_100000210774_100011215053 [0,3,0,0,0,0|0,0,0]=3 33230 B12R0.277 COCC(O)COCCNC(C)C 34a_100000224655_100011215053 [0,3,0,0,0,0|1,0,0]=4 33231 B12R0.277 COCC(O)COCCOC(C)C 34a_100000211219_100011215053 [0,3,0,0,0,0|1,0,0]=4 33232 B12R0.277 COCC(O)COCCOC(C)C 7a_100000211219_100011215053 [0,3,0,0,0,0|1,0,0]=4 33233 B12R0.277 COCC(O)COCCSC(C)C 34a_200011212901_100011215053 [0,3,0,0,0,0|1,0,0]=4 33234 B12R0.277 COCC(O)COCCSC(C)C 7a_200011212901_100011215053 [0,3,0,0,0,0|1,0,0]=4 33235 B12R0.277 COCC(O)CSCCCC(C)C 62a_100011214892_100011215053 [0,3,0,0,0,0|0,1,0]=4 33236 B12R0.277 COCC(O)CSCCCC(C)C 62a_100011215053_100011214892 [0,3,0,0,0,0|0,1,0]=4 33237 B12R0.277 COCC(O)CSCCCC(C)O 62a_100011215053_200000718107 [0,3,0,0,0,0|0,1,0]=4 33238 B12R0.277 COCC(O)CSCCCC(C)O 62a_200000718107_100011215053 [0,3,0,0,0,0|0,1,0]=4 33239 B12R0.277 COC[C@@H](C)OCCCCC(=O)C 34a_100011934205_100009817362 [0,3,0,0,0,0|1,0,0]=4 33240 B12R0.277 COC[C@@H](C)OCCCCC(C)C 34a_100011934205_100011216152 [0,3,0,0,0,0|1,0,0]=4 33241 B12R0.285 C=CCC(C)COCC(C)CCC 34a_100009832082_100011216630 [0,3,0,0,0,0|0,0,1]=4 33242 B12R0.285 C=CCC(C)COCC(C)CCC 7a_100009832082_100011216630 [0,3,0,0,0,0|0,0,1]=4 33243 B12R0.285 C=CC[C@@H](N)COCC(C)CCC 34a_100020615467_100011216630 [0,3,0,0,0,0|0,0,1]=4 33244 B12R0.285 CCCC(=O)COCC(C)CCC 7a_100000688023_100000747444 [0,3,0,0,0,0|0,0,0]=3 33245 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100000747444_100011216630 [0,3,0,0,0,0|0,1,0]=4 33246 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100011216630_100000747444 [0,3,0,0,0,0|0,1,0]=4 33247 B12R0.285 CCCC(=O)OCNC(C)CCC 2230a_100000741246_100000034017 [0,3,0,0,0,0|0,0,1]=4 33248 B12R0.285 CCCC(=O)OCOC(C)CCC 34a_100000764384_100000034017 [0,3,0,0,0,0|0,0,1]=4 33249 B12R0.285 CCCC(=O)OCSC(C)CCC 62a_100000766640_100000034017 [0,3,0,0,0,0|0,0,1]=4 33250 B12R0.285 CCCC(C)CCOC(C)CCC 34a_100011217855_100000766640 [0,3,0,0,0,0|0,0,0]=3 33251 B12R0.285 CCCC(C)CCOC(C)CCC 7a_100011217855_100000766640 [0,3,0,0,0,0|0,0,0]=3 33252 B12R0.285 CCCC(C)CCOC(C)CCO 34a_100011217855_100009893172 [0,3,0,0,0,0|1,0,0]=4 33253 B12R0.285 CCCC(C)CCOC(C)CCO 7a_100011217855_100009893172 [0,3,0,0,0,0|1,0,0]=4 33254 B12R0.285 CCCC(C)CCOC(C)COC 34a_100011217855_100000765312 [0,3,0,0,0,0|1,0,0]=4 33255 B12R0.285 CCCC(C)CCOC(C)COC 7a_100011217855_100000765312 [0,3,0,0,0,0|1,0,0]=4 33256 B12R0.285 CCCC(C)CNCC(O)COC 2230a_100000756049_100011216630 [0,3,0,0,0,0|1,0,0]=4 33257 B12R0.285 CCCC(C)CNCC(O)COC 270004a_100000756049_100000243154 [0,3,0,0,0,0|1,0,0]=4 33258 B12R0.285 CCCC(C)CNCC(O)COC 34a_100000756049_100011216630 [0,3,0,0,0,0|1,0,0]=4 33259 B12R0.285 CCCC(C)COCC(=O)NCC 34a_100000688023_100000183381 [0,3,0,0,0,0|0,0,1]=4 33260 B12R0.285 CCCC(C)COCC(=O)NCC 7a_100000688023_100000183381 [0,3,0,0,0,0|0,0,1]=4 33261 B12R0.285 CCCC(C)COCC(=O)OCC 34a_100000688023_100000188475 [0,3,0,0,0,0|0,0,1]=4 33262 B12R0.285 CCCC(C)COCC(=O)OCC 7a_100000688023_100000188475 [0,3,0,0,0,0|0,0,1]=4 33263 B12R0.285 CCCC(C)COCC(C)CCC 34a_100000688023_100011216630 [0,3,0,0,0,0|0,0,0]=3 33264 B12R0.285 CCCC(C)COCC(C)CCC 7a_100000688023_100011216630 [0,3,0,0,0,0|0,0,0]=3 33265 B12R0.285 CCCC(C)COCC(C)CCN 34a_106354213184_100011216630 [0,3,0,0,0,0|0,0,0]=3 33266 B12R0.285 CCCC(C)COCC(N)COC 34a_100000724102_100011216630 [0,3,0,0,0,0|0,0,0]=3 33267 B12R0.285 CCCC(C)COCC(O)COC 34a_100000688023_100011215053 [0,3,0,0,0,0|0,0,0]=3 33268 B12R0.285 CCCC(C)COCC(O)COC 7a_100000688023_100011215053 [0,3,0,0,0,0|0,0,0]=3 33269 B12R0.285 CCCC(C)COC[C@@H](N)CCC 34a_100000732646_100011216630 [0,3,0,0,0,0|0,0,0]=3 33270 B12R0.285 CCCC(C)COC[C@@H](O)CC#N 7a_100000688023_100000001066 [0,3,0,0,0,0|0,0,1]=4 33271 B12R0.285 CCCC(C)CSCC(C)CCC 62a_100011216630_100011216630 [0,3,0,0,0,0|0,1,0]=4 33272 B12R0.285 CCCC(C)CSCC(O)COC 62a_100011215053_100011216630 [0,3,0,0,0,0|0,1,0]=4 33273 B12R0.285 CCCC(C)CSCC(O)COC 62a_100011216630_100011215053 [0,3,0,0,0,0|0,1,0]=4 33274 B12R0.285 CCCC(C)OCCC(=O)NCC 7a_100000764384_100000737597 [0,3,0,0,0,0|0,0,1]=4 33275 B12R0.285 CCCC(C)OCCC(=O)OCC 34a_100000764384_100000765890 [0,3,0,0,0,0|0,0,1]=4 33276 B12R0.285 CCCC(C)OCCC(=O)OCC 7a_100000764384_100011206558 [0,3,0,0,0,0|0,0,1]=4 33277 B12R0.285 CCCC(C)OCC[C@@H](N)CCC 34a_100015193777_100000766640 [0,3,0,0,0,0|0,0,0]=3 33278 B12R0.285 CCC[C@H](N)CCOC(C)CCO 34a_100015193777_100009893172 [0,3,0,0,0,0|1,0,0]=4 33279 B12R0.285 CCC[C@H](N)CCOC(C)COC 34a_100015193777_100000765312 [0,3,0,0,0,0|1,0,0]=4 33280 B12R0.285 CCC[C@H](N)COCC(=O)NCC 34a_100000732646_100000183381 [0,3,0,0,0,0|0,0,1]=4 33281 B12R0.285 CCC[C@H](N)COCC(=O)OCC 34a_100000732646_100000188475 [0,3,0,0,0,0|0,0,1]=4 33282 B12R0.285 CCC[C@H](N)COCC(O)COC 34a_100000732646_100011215053 [0,3,0,0,0,0|0,0,0]=3 33283 B12R0.285 COCC(N)COCC(O)COC 34a_100000724102_100011215053 [0,3,0,0,0,0|1,0,0]=4 33284 B12R0.285 COCC(O)COCC(C)CCN 34a_106354213184_100011215053 [0,3,0,0,0,0|1,0,0]=4 33285 B12R0.434 C#CCCCCOC(C)(C)CCC 7a_100000748436_100010269958 [0,3,0,0,0,0|0,0,1]=4 33286 B12R0.434 C#CCCCOCC(C)(C)CCC 7a_100011995695_100011215417 [0,3,0,0,0,0|0,0,1]=4 33287 B12R0.434 C=CCCCCOC(C)(C)CCC 7a_100000748436_100011215482 [0,3,0,0,0,0|0,0,1]=4 33288 B12R0.434 C=CCCCOCC(C)(C)CCC 7a_100011995695_100000757094 [0,3,0,0,0,0|0,0,1]=4 33289 B12R0.434 CC(C)(CCBr)OCCCCCF 7a_100000702414_100000729378 [0,3,0,0,0,0|1,0,0]=4 33290 B12R0.434 CC(C)(CCBr)OCCCCCO 7a_100000702414_100000746330 [0,3,0,0,0,0|1,0,0]=4 33291 B12R0.434 CC/C=C\CCOC(C)(C)CCC 7a_100000748436_100015370543 [0,3,0,0,0,0|0,0,1]=4 33292 B12R0.434 CC/C=C\COCC(C)(C)CCC 7a_100011995695_100103147603 [0,3,0,0,0,0|0,0,1]=4 33293 B12R0.434 CCC#CCOCC(C)(C)CCC 7a_100011995695_100009813939 [0,3,0,0,0,0|0,0,1]=4 33294 B12R0.434 CCCC(C)(C)COCCCC#N 7a_100011995695_100000687738 [0,3,0,0,0,0|0,0,1]=4 33295 B12R0.434 CCCC(C)(C)COCCCC=O 7a_100011995695_200011292268 [0,3,0,0,0,0|0,0,1]=4 33296 B12R0.434 CCCC(C)(C)COCCCCF 7a_100011995695_100000729493 [0,3,0,0,0,0|0,0,0]=3 33297 B12R0.434 CCCC(C)(C)COCCCCO 7a_100011995695_100000210776 [0,3,0,0,0,0|0,0,0]=3 33298 B12R0.434 CCCC(C)(C)COCCCOC 7a_100011995695_100000740836 [0,3,0,0,0,0|0,0,0]=3 33299 B12R0.434 CCCC(C)(C)COCCOCC 7a_100011995695_100011215890 [0,3,0,0,0,0|0,0,0]=3 33300 B12R0.434 CCCC(C)(C)COCCSCC 7a_100011995695_100000757381 [0,3,0,0,0,0|0,0,0]=3 33301 B12R0.434 CCCC(C)(C)OCCCCC#N 7a_100000748436_100000211819 [0,3,0,0,0,0|0,0,1]=4 33302 B12R0.434 CCCC(C)(C)OCCCCC=O 7a_100000748436_100000139335 [0,3,0,0,0,0|0,0,1]=4 33303 B12R0.434 CCCC(C)(C)OCCCCCF 7a_100000748436_100000729378 [0,3,0,0,0,0|0,0,0]=3 33304 B12R0.434 CCCC(C)(C)OCCCCCO 7a_100000748436_100000746330 [0,3,0,0,0,0|0,0,0]=3 33305 B12R0.434 CCCC(C)(C)OCCCCOC 7a_100000748436_100000730899 [0,3,0,0,0,0|0,0,0]=3 33306 B12R0.434 CCCC(C)(C)OCCCOCC 7a_100000748436_100012232248 [0,3,0,0,0,0|0,0,0]=3 33307 B12R0.434 CCCC(C)(C)OCCOCCO 7a_100000748436_100011215305 [0,3,0,0,0,0|1,0,0]=4 33308 B12R0.434 CCCCCCCC(C)(C)OCC 34a_100121572206_200000046972 [0,3,0,0,0,0|1,0,0]=4 33309 B12R0.434 CCCCCCCC(C)(C)SCC 62a_100000210202_200000046972 [0,3,0,0,0,0|1,0,0]=4 33310 B12R0.434 CCCCCCCC(C)(C)SCC 62a_200000046972_100000210202 [0,3,0,0,0,0|1,0,0]=4 33311 B12R0.434 CCCCCCOC(C)(C)CCBr 7a_100000702414_100000210314 [0,3,0,0,0,0|1,0,0]=4 33312 B12R0.434 CCCCCCOC(C)(C)CCC 7a_100000748436_100000210314 [0,3,0,0,0,0|0,0,0]=3 33313 B12R0.434 CCCCCNCC(C)(C)COC 2230a_100000734190_100000210326 [0,3,0,0,0,0|1,0,0]=4 33314 B12R0.434 CCCCCOCC(C)(C)CCC 7a_100011995695_100000210326 [0,3,0,0,0,0|0,0,0]=3 33315 B12R0.434 CCCCCOCC(C)(C)NCC 7a_100000747347_100000210326 [0,3,0,0,0,0|0,0,0]=3 33316 B12R0.434 CCCCCOC[N+](C)(C)CCO 7a_100000210253_200010270792 [0,3,0,0,0,0|1,0,0]=4 33317 B12R0.434 CCCCOCNC(C)(C)COC 2230a_100000752728_100011995733 [0,3,0,0,0,0|1,0,0]=4 33318 B12R0.434 CCCCOCNC(C)(C)CSC 2230a_100000759623_100011995733 [0,3,0,0,0,0|1,0,0]=4 33319 B12R0.434 CCCOCCOC(C)(C)CCBr 7a_100000702414_100011215938 [0,3,0,0,0,0|1,0,0]=4 33320 B12R0.434 CCCOCCOC(C)(C)CCC 7a_100000748436_100011215938 [0,3,0,0,0,0|0,0,0]=3 33321 B12R0.434 CCNC(C)(C)COCCCCF 7a_100000747347_100000729493 [0,3,0,0,0,0|1,0,0]=4 33322 B12R0.434 CCNC(C)(C)COCCCCO 7a_100000747347_100000210776 [0,3,0,0,0,0|1,0,0]=4 33323 B12R0.434 CCNC(C)(C)COCCCOC 7a_100000747347_100000740836 [0,3,0,0,0,0|1,0,0]=4 33324 B12R0.434 CCNC(C)(C)COCCOCC 7a_100000747347_100011215890 [0,3,0,0,0,0|1,0,0]=4 33325 B12R0.434 CCNC(C)(C)COCCSCC 7a_100000747347_100000757381 [0,3,0,0,0,0|1,0,0]=4 33326 B12R0.434 CCOCCCOC(C)(C)CCBr 7a_100000702414_100012232248 [0,3,0,0,0,0|1,0,0]=4 33327 B12R0.434 COCCCCOC(C)(C)CCBr 7a_100000702414_100000730899 [0,3,0,0,0,0|1,0,0]=4 33328 B12R0.68 CCCC(C)CC(=O)CC(C)CC 1458a_100000708755_100011216630 [0,3,0,0,0,0|1,0,0]=4 33329 B12R0.68 CCCC(C)CC(=O)CC(C)CC 1458a_100000748435_100000748023 [0,3,0,0,0,0|1,0,0]=4 33330 B12R0.68 CCCC(C)CC(=O)CC(O)CC 1458a_100000748435_100011218378 [0,3,0,0,0,0|1,0,0]=4 33331 B12R0.68 CCCC(C)CC(=O)CC(O)CC 1458a_100011667805_100011216630 [0,3,0,0,0,0|1,0,0]=4 33332 B12R0.68 CCCC(C)CC(=O)C[C@@H](C)CC 1458a_100000748435_100009816398 [0,3,0,0,0,0|1,0,0]=4 33333 B12R0.68 CCCC(C)CN(C)CC(C)CC 2230a_100000753921_100011216630 [0,3,0,0,0,0|1,0,0]=4 33334 B12R0.68 CCCC(C)CN(C)CC(C)CC 269982a_100000753921_100011216630 [0,3,0,0,0,0|1,0,0]=4 33335 B12R0.68 CCCC(C)CN(C)CC(C)CC 270004a_100000753921_100000243154 [0,3,0,0,0,0|1,0,0]=4 33336 B12R0.68 CCCC(C)NC(C)CC(C)CC 2230a_100000763565_100000766640 [0,3,0,0,0,0|1,0,0]=4 33337 B12R0.68 CCCC(C)NC(C)CC(C)CC 270004a_100000741246_100011710205 [0,3,0,0,0,0|1,0,0]=4 33338 B12R0.68 CCCC(C)NC(C)CC(C)CC 270004a_100000763565_100000211909 [0,3,0,0,0,0|1,0,0]=4 33339 B12R0.69 CCCC(C)C(C)OC(C)CCO 34a_100000708338_100009893172 [0,3,0,0,0,0|1,0,0]=4 33340 B12R0.69 CCCC(C)C(C)OC(C)CCO 7a_100000708338_100009893172 [0,3,0,0,0,0|1,0,0]=4 33341 B12R0.69 CCCC(C)C(C)OC(C)COC 34a_100000708338_100000765312 [0,3,0,0,0,0|1,0,0]=4 33342 B12R0.69 CCCC(C)C(C)OC(C)COC 7a_100000708338_100000765312 [0,3,0,0,0,0|1,0,0]=4 33343 B12R0.69 CCCC(C)CC(=O)C(C)CCC 1458a_100000210906_100011216630 [0,3,0,0,0,0|1,0,0]=4 33344 B12R0.69 CCCC(C)CC(=O)C(C)CCC 1458a_100000748435_100000766640 [0,3,0,0,0,0|1,0,0]=4 33345 B12R0.69 CCCC(C)CC(=O)[C@@H](O)CCC 1458a_100009822183_100011216630 [0,3,0,0,0,0|1,0,0]=4 33346 B12R0.69 CCCC(C)NC(C)C(C)CCC 270004a_100000741246_100011216282 [0,3,0,0,0,0|1,0,0]=4 33347 B12R0.69 CCCC(C)OC(C)C(C)CCC 34a_100000708338_100000766640 [0,3,0,0,0,0|0,0,0]=3 33348 B12R0.69 CCCC(C)OC(C)C(C)CCC 7a_100000708338_100000766640 [0,3,0,0,0,0|0,0,0]=3 33349 B12R0.103 C=CCCC(C)OC(C)CCCC 34a_100000765329_200011215066 [0,3,0,0,0,0|0,0,1]=4 33350 B12R0.103 C=CCCC(C)OC(C)CCCC 7a_100000765329_200011215066 [0,3,0,0,0,0|0,0,1]=4 33351 B12R0.103 CCC#CC(C)OC(C)CCCC 34a_100000033903_200011215066 [0,3,0,0,0,0|0,0,1]=4 33352 B12R0.103 CCC#CC(C)OC(C)CCCC 7a_100000033903_200011215066 [0,3,0,0,0,0|0,0,1]=4 33353 B12R0.103 CCCCC(=O)NC(C)CCCC 11a_100000126638_100000210183 [0,3,0,0,0,0|1,0,0]=4 33354 B12R0.103 CCCCC(=O)NC(C)CCCC 1626a_100000126638_100000210183 [0,3,0,0,0,0|1,0,0]=4 33355 B12R0.103 CCCCC(=O)NC(C)CCCC 240690a_100000126638_100000210183 [0,3,0,0,0,0|1,0,0]=4 33356 B12R0.103 CCCCC(=O)NC(C)CCCC 527a_100000126638_100000210183 [0,3,0,0,0,0|1,0,0]=4 33357 B12R0.103 CCCCC(C)NC(C)CCCC 2230a_100000126638_200011215066 [0,3,0,0,0,0|1,0,0]=4 33358 B12R0.103 CCCCC(C)NC(C)CCCC 270004a_100000126638_100000210087 [0,3,0,0,0,0|1,0,0]=4 33359 B12R0.103 CCCCC(C)NC(C)CCOC 270004a_100000126638_100000742357 [0,3,0,0,0,0|1,0,0]=4 33360 B12R0.103 CCCCC(C)NC(C)CCSC 270004a_100000126638_100011217047 [0,3,0,0,0,0|1,0,0]=4 33361 B12R0.103 CCCCC(C)NC(C)CSCC 270004a_100000126638_200011216171 [0,3,0,0,0,0|1,0,0]=4 33362 B12R0.103 CCCCC(C)OC(C)CCCC 34a_100000687866_200011215066 [0,3,0,0,0,0|0,0,0]=3 33363 B12R0.103 CCCCC(C)OC(C)CCCC 7a_100000687866_200011215066 [0,3,0,0,0,0|0,0,0]=3 33364 B12R0.103 CCCCC(C)OC(C)CCCCl 34a_200000718107_200011215066 [0,3,0,0,0,0|0,0,0]=3 33365 B12R0.103 CCCCC(C)OC(C)CCCCl 7a_200000718107_200011215066 [0,3,0,0,0,0|0,0,0]=3 33366 B12R0.103 CCCCC(C)OC(C)COCC 34a_100000718985_200011215066 [0,3,0,0,0,0|0,0,0]=3 33367 B12R0.103 CCCCC(C)OC(C)COCC 7a_100000718985_200011215066 [0,3,0,0,0,0|0,0,0]=3 33368 B12R0.103 CCCCC(C)SC(C)CCCC 62a_200011215066_200011215066 [0,3,0,0,0,0|0,1,0]=4 33369 B12R0.132 C#CC(CCC)OC(C)CCCC 34a_200011217317_200011215066 [0,3,0,0,0,0|0,0,0]=3 33370 B12R0.132 C#CC(CCC)OC(C)CCCC 7a_200011217317_200011215066 [0,3,0,0,0,0|0,0,0]=3 33371 B12R0.132 C=CC(CCC)OC(C)CCCC 34a_100011216692_200011215066 [0,3,0,0,0,0|0,0,0]=3 33372 B12R0.132 C=CC(CCC)OC(C)CCCC 7a_100011216692_200011215066 [0,3,0,0,0,0|0,0,0]=3 33373 B12R0.132 CCCC(CC)OC(C)CCCCl 7a_200000718107_100011219200 [0,3,0,0,0,0|1,0,0]=4 33374 B12R0.132 CCCC(CC)OC(C)COCC 7a_100000718985_100011219200 [0,3,0,0,0,0|1,0,0]=4 33375 B12R0.132 CCCCC(C)NC(CC)CCC 2230a_100000747048_200011215066 [0,3,0,0,0,0|1,0,0]=4 33376 B12R0.132 CCCCC(C)NC(CC)CCC 270004a_100000126638_100000687865 [0,3,0,0,0,0|1,0,0]=4 33377 B12R0.132 CCCCC(C)NC(CC)CCC 270004a_100000747048_100000210087 [0,3,0,0,0,0|1,0,0]=4 33378 B12R0.132 CCCCC(C)N[C@H](CO)CCC 2230a_100000732646_200011215066 [0,3,0,0,0,0|1,0,0]=4 33379 B12R0.132 CCCCC(C)N[C@H](CO)CCC 34a_100000732646_200011215066 [0,3,0,0,0,0|1,0,0]=4 33380 B12R0.132 CCCCC(C)OC(C#N)CCC 34a_100000686963_200011215066 [0,3,0,0,0,0|0,0,0]=3 33381 B12R0.132 CCCCC(C)OC(C#N)CCC 7a_100000686963_200011215066 [0,3,0,0,0,0|0,0,0]=3 33382 B12R0.132 CCCCC(C)OC(CC)CCC 34a_100000687864_200011215066 [0,3,0,0,0,0|0,0,0]=3 33383 B12R0.132 CCCCC(C)OC(CC)CCC 7a_100000687864_200011215066 [0,3,0,0,0,0|0,0,0]=3 33384 B12R0.132 CCCCC(C)OC(CC)CCC 7a_100000687866_100011219200 [0,3,0,0,0,0|0,0,0]=3 33385 B12R0.132 CCCCC(C)OC(CC)COC 7a_200011214946_200011215066 [0,3,0,0,0,0|1,0,0]=4 33386 B12R0.132 CCCCC(C)OC(CCl)COC 34a_100011215053_200011215066 [0,3,0,0,0,0|1,0,0]=4 33387 B12R0.132 CCCCC(C)OC(CN)COC 34a_100000756049_200011215066 [0,3,0,0,0,0|1,0,0]=4 33388 B12R0.132 CCCCC(C)SC(CC)CCC 62a_100011219200_200011215066 [0,3,0,0,0,0|0,1,0]=4 33389 B12R0.132 CCCCC(C)SC(CC)CCC 62a_200011215066_100011219200 [0,3,0,0,0,0|0,1,0]=4 33390 B12R0.134 CCCCC(C)NC(C)C(C)CC 269862a_100000126638_100000210599 [0,3,0,0,0,0|1,0,0]=4 33391 B12R0.134 CCCCC(C)NC(C)C(C)CC 270004a_100000126638_100000210599 [0,3,0,0,0,0|1,0,0]=4 33392 B12R0.134 CCCCC(C)OC(C)C(=O)CC 7a_100000687866_100000742827 [0,3,0,0,0,0|0,0,1]=4 33393 B12R0.134 CCCCC(C)OC(C)C(C)CC 7a_100011215189_200011215066 [0,3,0,0,0,0|0,0,0]=3 33394 B12R0.283 CC(C)CCC(C)OC(C)CCBr 34a_100012276601_100011261404 [0,3,0,0,0,0|1,0,0]=4 33395 B12R0.283 CC(C)CCC(C)OC(C)CCO 34a_100011215350_100009893172 [0,3,0,0,0,0|1,0,0]=4 33396 B12R0.283 CC(C)CCC(C)OC(C)CCO 7a_100011215350_100009893172 [0,3,0,0,0,0|1,0,0]=4 33397 B12R0.283 CCCC(C)CC(=O)CCC(C)C 1458a_100000181311_100011216630 [0,3,0,0,0,0|1,0,0]=4 33398 B12R0.283 CCCC(C)CC(=O)CCC(C)C 1458a_100000748435_100000210312 [0,3,0,0,0,0|1,0,0]=4 33399 B12R0.283 CCCC(C)CC(=O)CCC(C)O 1458a_100000748435_100012276601 [0,3,0,0,0,0|1,0,0]=4 33400 B12R0.283 CCCC(C)CN(C)CCC(C)C 2230a_100000742789_100011216630 [0,3,0,0,0,0|1,0,0]=4 33401 B12R0.283 CCCC(C)CN(C)CCC(C)C 269982a_100000742789_100011216630 [0,3,0,0,0,0|1,0,0]=4 33402 B12R0.283 CCCC(C)CN(C)CCC(C)C 270004a_100000742789_100000243154 [0,3,0,0,0,0|1,0,0]=4 33403 B12R0.283 CCCC(C)NC(C)CCC(C)C 2230a_100000741246_100011261404 [0,3,0,0,0,0|1,0,0]=4 33404 B12R0.283 CCCC(C)NC(C)CCC(C)C 2230a_100138410893_100000766640 [0,3,0,0,0,0|1,0,0]=4 33405 B12R0.283 CCCC(C)NC(C)CCC(C)C 270004a_100000741246_100000210476 [0,3,0,0,0,0|1,0,0]=4 33406 B12R0.283 CCCC(C)NC(C)CCC(C)C 270004a_100138410893_100000211909 [0,3,0,0,0,0|1,0,0]=4 33407 B12R0.283 CCCC(C)OC(C)CCC(C)C 34a_100000764384_100011261404 [0,3,0,0,0,0|0,0,0]=3 33408 B12R0.283 CCCC(C)OC(C)CCC(C)C 34a_100011215350_100000766640 [0,3,0,0,0,0|0,0,0]=3 33409 B12R0.283 CCCC(C)OC(C)CCC(C)C 7a_100011215350_100000766640 [0,3,0,0,0,0|0,0,0]=3 33410 B12R0.283 CCCC(C)SC(C)CCC(C)C 62a_100000766640_100011261404 [0,3,0,0,0,0|0,1,0]=4 33411 B12R0.283 CCCC(C)SC(C)CCC(C)C 62a_100011261404_100000766640 [0,3,0,0,0,0|0,1,0]=4 33412 B12R0.283 COCC(C)OC(C)CCC(C)C 34a_100011215350_100000765312 [0,3,0,0,0,0|1,0,0]=4 33413 B12R0.283 COCC(C)OC(C)CCC(C)C 7a_100011215350_100000765312 [0,3,0,0,0,0|1,0,0]=4 33414 B12R0.283 COC[C@@H](C)OC(C)CCC(C)C 34a_100011934205_100011261404 [0,3,0,0,0,0|1,0,0]=4 33415 B12R0.353 CCCCC(C)C(=O)C(C)CCC 1458a_100000210906_200011215066 [0,3,0,0,0,0|1,0,0]=4 33416 B12R0.353 CCCCC(C)C(=O)C(C)CCC 1458a_100000725509_100000766640 [0,3,0,0,0,0|1,0,0]=4 33417 B12R0.353 CCCCC(C)C(=O)[C@@H](O)CCC 1458a_100009822183_200011215066 [0,3,0,0,0,0|1,0,0]=4 33418 B12R0.353 CCCCC(O)C(=O)C(C)CCC 1458a_100000720857_100000766640 [0,3,0,0,0,0|1,0,0]=4 33419 B12R0.353 CCCCN(C)C(C)C(C)CCC 270004a_100000207549_100011216282 [0,3,0,0,0,0|1,0,0]=4 33420 B12R0.453 CCCCC(=O)CC(C)(O)CCC 1458a_100011667670_100000210211 [0,3,0,0,0,0|1,0,0]=4 33421 B12R0.453 CCCCC(C)OC(C)(C)CCBr 7a_100000702414_200011215066 [0,3,0,0,0,0|1,0,0]=4 33422 B12R0.453 CCCCC(C)OC(C)(C)CCC 7a_100000748436_200011215066 [0,3,0,0,0,0|0,0,0]=3 33423 B12R0.607 C#CC(CCCC)OC(C)CCC 34a_200011217967_100000766640 [0,3,0,0,0,0|0,0,0]=3 33424 B12R0.607 C#CC(CCCC)OC(C)CCC 7a_200011217967_100000766640 [0,3,0,0,0,0|0,0,0]=3 33425 B12R0.607 C#CC(CCCC)OC(C)CCO 34a_200011217967_100009893172 [0,3,0,0,0,0|1,0,0]=4 33426 B12R0.607 C#CC(CCCC)OC(C)CCO 7a_200011217967_100009893172 [0,3,0,0,0,0|1,0,0]=4 33427 B12R0.607 C#CC(CCCC)OC(C)COC 34a_200011217967_100000765312 [0,3,0,0,0,0|1,0,0]=4 33428 B12R0.607 C#CC(CCCC)OC(C)COC 7a_200011217967_100000765312 [0,3,0,0,0,0|1,0,0]=4 33429 B12R0.607 C=CC(CCCC)OC(C)CCC 34a_200011215037_100000766640 [0,3,0,0,0,0|0,0,0]=3 33430 B12R0.607 C=CC(CCCC)OC(C)CCC 7a_200011215037_100000766640 [0,3,0,0,0,0|0,0,0]=3 33431 B12R0.607 C=CC(CCCC)OC(C)CCO 34a_200011215037_100009893172 [0,3,0,0,0,0|1,0,0]=4 33432 B12R0.607 C=CC(CCCC)OC(C)CCO 7a_200011215037_100009893172 [0,3,0,0,0,0|1,0,0]=4 33433 B12R0.607 C=CC(CCCC)OC(C)COC 34a_200011215037_100000765312 [0,3,0,0,0,0|1,0,0]=4 33434 B12R0.607 C=CC(CCCC)OC(C)COC 7a_200011215037_100000765312 [0,3,0,0,0,0|1,0,0]=4 33435 B12R0.607 CCCC(C)OC(CN)COCC 34a_102515437182_100000766640 [0,3,0,0,0,0|1,0,0]=4 33436 B12R0.607 CCCCC(CC)NC(C)CCC 270004a_100000741246_100000753412 [0,3,0,0,0,0|1,0,0]=4 33437 B12R0.607 CCCCC(CC)OC(C)CCBr 34a_100012276601_200011216223 [0,3,0,0,0,0|1,0,0]=4 33438 B12R0.607 CCCCC(CC)OC(C)CCC 34a_100000764384_200011216223 [0,3,0,0,0,0|0,0,0]=3 33439 B12R0.607 CCCCC(CC)OC(C)CCC 34a_100011215227_100000766640 [0,3,0,0,0,0|0,0,0]=3 33440 B12R0.607 CCCCC(CC)OC(C)CCC 7a_100000764384_200011216223 [0,3,0,0,0,0|0,0,0]=3 33441 B12R0.607 CCCCC(CC)OC(C)CCC 7a_100011215227_100000766640 [0,3,0,0,0,0|0,0,0]=3 33442 B12R0.607 CCCCC(CC)OC(C)CCO 34a_100011215227_100009893172 [0,3,0,0,0,0|1,0,0]=4 33443 B12R0.607 CCCCC(CC)OC(C)CCO 7a_100011215227_100009893172 [0,3,0,0,0,0|1,0,0]=4 33444 B12R0.607 CCCCC(CC)OC(C)COC 34a_100011215227_100000765312 [0,3,0,0,0,0|1,0,0]=4 33445 B12R0.607 CCCCC(CC)OC(C)COC 7a_100011215227_100000765312 [0,3,0,0,0,0|1,0,0]=4 33446 B12R0.607 CCCCC(CC)O[C@H](C)COC 34a_100011934205_200011216223 [0,3,0,0,0,0|1,0,0]=4 33447 B12R0.607 CCCCC(CC)SC(C)CCC 62a_100000766640_200011216223 [0,3,0,0,0,0|0,1,0]=4 33448 B12R0.607 CCCCC(CC)SC(C)CCC 62a_200011216223_100000766640 [0,3,0,0,0,0|0,1,0]=4 33449 B12R0.607 CCCCN(CC)CC(C)CCC 2230a_100000207695_100011216630 [0,3,0,0,0,0|1,0,0]=4 33450 B12R0.607 CCCCN(CC)CC(C)CCC 269982a_100000207695_100011216630 [0,3,0,0,0,0|1,0,0]=4 33451 B12R0.607 CCCCN(CC)CC(C)CCC 270004a_100000207695_100000243154 [0,3,0,0,0,0|1,0,0]=4 33452 B12R0.607 CCCC[C@@H](CO)NC(C)CCC 2230a_100011934283_100000766640 [0,3,0,0,0,0|1,0,0]=4 33453 B12R0.607 CCCC[C@@H](CO)NC(C)CCC 270004a_100011934283_100000211909 [0,3,0,0,0,0|1,0,0]=4 33454 B12R0.607 CCCC[C@@H](CO)NC(C)CCC 34a_100011934283_100000766640 [0,3,0,0,0,0|1,0,0]=4 33455 B12R0.661 CCCC(C)OC(C)(C)CCCBr 7a_100009888830_100000766640 [0,3,0,0,0,0|1,0,0]=4 33456 B12R0.661 CCCCC(C)(C)OC(C)CCC 7a_100011219641_100000766640 [0,3,0,0,0,0|0,0,0]=3 33457 B12R0.661 CCCCC(C)(C)OC(C)CCO 7a_100011219641_100009893172 [0,3,0,0,0,0|1,0,0]=4 33458 B12R0.661 CCCCC(C)(C)OC(C)COC 7a_100011219641_100000765312 [0,3,0,0,0,0|1,0,0]=4 33459 B12R0.74 C#CC(CCC)OCC(=O)CCC 7a_200011217317_100000747444 [0,3,0,0,0,0|0,0,1]=4 33460 B12R0.74 C#CC(CCC)OCC(C)CCC 34a_200011217317_100011216630 [0,3,0,0,0,0|0,0,0]=3 33461 B12R0.74 C#CC(CCC)OCC(C)CCC 7a_200011217317_100011216630 [0,3,0,0,0,0|0,0,0]=3 33462 B12R0.74 C#CC(CCC)OCC(O)COC 34a_200011217317_100011215053 [0,3,0,0,0,0|1,0,0]=4 33463 B12R0.74 C#CC(CCC)OCC(O)COC 7a_200011217317_100011215053 [0,3,0,0,0,0|1,0,0]=4 33464 B12R0.74 C=CC(CCC)OCC(=O)CCC 7a_100011216692_100000747444 [0,3,0,0,0,0|0,0,1]=4 33465 B12R0.74 C=CC(CCC)OCC(C)CCC 34a_100011216692_100011216630 [0,3,0,0,0,0|0,0,0]=3 33466 B12R0.74 C=CC(CCC)OCC(C)CCC 7a_100011216692_100011216630 [0,3,0,0,0,0|0,0,0]=3 33467 B12R0.74 C=CC(CCC)OCC(O)COC 34a_100011216692_100011215053 [0,3,0,0,0,0|1,0,0]=4 33468 B12R0.74 C=CC(CCC)OCC(O)COC 7a_100011216692_100011215053 [0,3,0,0,0,0|1,0,0]=4 33469 B12R0.74 CCCC(=O)COC(C#N)CCC 7a_100000686963_100000747444 [0,3,0,0,0,0|0,0,1]=4 33470 B12R0.74 CCCC(=O)COC(CC)CCC 7a_100000687864_100000747444 [0,3,0,0,0,0|0,0,1]=4 33471 B12R0.74 CCCC(C#N)OCC(O)COC 34a_100000686963_100011215053 [0,3,0,0,0,0|1,0,0]=4 33472 B12R0.74 CCCC(C#N)OCC(O)COC 7a_100000686963_100011215053 [0,3,0,0,0,0|1,0,0]=4 33473 B12R0.74 CCCC(C)CNC(CC)CCC 2230a_100000747048_100011216630 [0,3,0,0,0,0|1,0,0]=4 33474 B12R0.74 CCCC(C)CNC(CC)CCC 270004a_100000747048_100000243154 [0,3,0,0,0,0|1,0,0]=4 33475 B12R0.74 CCCC(C)CN[C@H](CO)CCC 2230a_100000732646_100011216630 [0,3,0,0,0,0|1,0,0]=4 33476 B12R0.74 CCCC(C)CN[C@H](CO)CCC 34a_100000732646_100011216630 [0,3,0,0,0,0|1,0,0]=4 33477 B12R0.74 CCCC(C)COC(C#N)CCC 34a_100000686963_100011216630 [0,3,0,0,0,0|0,0,0]=3 33478 B12R0.74 CCCC(C)COC(C#N)CCC 7a_100000686963_100011216630 [0,3,0,0,0,0|0,0,0]=3 33479 B12R0.74 CCCC(C)COC(CC)CCC 34a_100000687864_100011216630 [0,3,0,0,0,0|0,0,0]=3 33480 B12R0.74 CCCC(C)COC(CC)CCC 7a_100000687864_100011216630 [0,3,0,0,0,0|0,0,0]=3 33481 B12R0.74 CCCC(C)COC(CC)CCC 7a_100000688023_100011219200 [0,3,0,0,0,0|0,0,0]=3 33482 B12R0.74 CCCC(C)COC(CC)COC 7a_200011214946_100011216630 [0,3,0,0,0,0|1,0,0]=4 33483 B12R0.74 CCCC(C)COC(CCl)COC 34a_100011215053_100011216630 [0,3,0,0,0,0|1,0,0]=4 33484 B12R0.74 CCCC(C)COC(CN)COC 34a_100000756049_100011216630 [0,3,0,0,0,0|1,0,0]=4 33485 B12R0.74 CCCC(C)CSC(CC)CCC 62a_100011216630_100011219200 [0,3,0,0,0,0|0,1,0]=4 33486 B12R0.74 CCCC(C)CSC(CC)CCC 62a_100011219200_100011216630 [0,3,0,0,0,0|0,1,0]=4 33487 B12R0.74 CCCC(CC)OCC(O)COC 34a_100000687864_100011215053 [0,3,0,0,0,0|1,0,0]=4 33488 B12R0.74 CCCC(CC)OCC(O)COC 7a_100000687864_100011215053 [0,3,0,0,0,0|1,0,0]=4 33489 B12R0.79 CCC(C)C(C)OCC(O)COC 7a_100011215189_100011215053 [0,3,0,0,0,0|1,0,0]=4 33490 B12R0.79 CCCC(=O)COC(C)C(C)CC 7a_100011215189_100000747444 [0,3,0,0,0,0|0,0,1]=4 33491 B12R0.79 CCCC(C)COC(C)C(=O)CC 7a_100000688023_100000742827 [0,3,0,0,0,0|0,0,1]=4 33492 B12R0.79 CCCC(C)COC(C)C(C)CC 7a_100011215189_100011216630 [0,3,0,0,0,0|0,0,0]=3 33493 B12R0.79 CCCC(C)OCC(C)N(C)CC 7a_100000732741_100000766640 [0,3,0,0,0,0|1,0,0]=4 33494 B12R0.445 CCCC(=O)COC(C)(C)CCC 7a_100000748436_100000747444 [0,3,0,0,0,0|0,0,1]=4 33495 B12R0.445 CCCC(C)(C)COC(C)CCO 7a_100011995695_100009893172 [0,3,0,0,0,0|1,0,0]=4 33496 B12R0.445 CCCC(C)(C)COC(C)COC 7a_100011995695_100000765312 [0,3,0,0,0,0|1,0,0]=4 33497 B12R0.445 CCCC(C)(C)OCC(O)COC 7a_100000748436_100011215053 [0,3,0,0,0,0|1,0,0]=4 33498 B12R0.445 CCCC(C)COC(C)(C)CCBr 7a_100000702414_100011216630 [0,3,0,0,0,0|1,0,0]=4 33499 B12R0.445 CCCC(C)COC(C)(C)CCC 7a_100000748436_100011216630 [0,3,0,0,0,0|0,0,0]=3 33500 B12R0.445 CCCC(C)OCC(C)(C)CCC 7a_100011995695_100000766640 [0,3,0,0,0,0|0,0,0]=3 33501 B12R0.445 CCCC(C)OCC(C)(C)NCC 7a_100000747347_100000766640 [0,3,0,0,0,0|1,0,0]=4 33502 B12R0.47 C#CCCCC(=O)COCCCC 1458a_100000690238_100011995733 [0,3,0,0,0,0|0,0,1]=4 33503 B12R0.47 C#CCCCC(=O)COCCCC 1458a_100000757543_100000731252 [0,3,0,0,0,0|0,0,1]=4 33504 B12R0.47 C#CCCCCC(=O)CCCCC 1458a_100000212188_100010269958 [0,3,0,0,0,0|1,0,0]=4 33505 B12R0.47 C#CCCCCC(=O)CCCCC 1458a_100000696528_100000210326 [0,3,0,0,0,0|1,0,0]=4 33506 B12R0.47 C#CCCCCN(C)CCCCC 2230a_100000223495_100010269958 [0,3,0,0,0,0|1,0,0]=4 33507 B12R0.47 C#CCCCCN(C)CCCCC 269982a_100000223495_100010269958 [0,3,0,0,0,0|1,0,0]=4 33508 B12R0.47 C#CCCCOC(C)CCCCC 34a_100000215630_200011218191 [0,3,0,0,0,0|0,0,1]=4 33509 B12R0.47 C#CCCCOC(C)CCCCC 34a_100011215632_100000695029 [0,3,0,0,0,0|0,0,1]=4 33510 B12R0.47 C#CCCCOC(C)CCCCC 7a_100000215630_200011218191 [0,3,0,0,0,0|0,0,1]=4 33511 B12R0.47 C#CCCCOC(C)CCCCC 7a_100011215632_100011215417 [0,3,0,0,0,0|0,0,1]=4 33512 B12R0.47 C#CCCCOC(C)CCCOC 34a_200011539412_100000695029 [0,3,0,0,0,0|0,0,1]=4 33513 B12R0.47 C#CCCCOC(C)CCCOC 7a_200011539412_100011215417 [0,3,0,0,0,0|0,0,1]=4 33514 B12R0.47 C#CCCOC(C)COCCCC 34a_100011217071_100000688953 [0,3,0,0,0,0|0,0,1]=4 33515 B12R0.47 C#CCCOC(C)COCCCC 7a_100011217071_100000688953 [0,3,0,0,0,0|0,0,1]=4 33516 B12R0.47 C#CCOCC(C)OCCCCC 34a_100011025554_100000718602 [0,3,0,0,0,0|0,0,1]=4 33517 B12R0.47 C#CCOCC(C)OCCCCC 7a_100011025554_100000210326 [0,3,0,0,0,0|0,0,1]=4 33518 B12R0.47 C/C=C/CCOC(C)CCCCC 34a_100016278192_200011218191 [0,3,0,0,0,0|0,0,1]=4 33519 B12R0.47 C/C=C/COC(C)COCCCC 34a_100011217071_100102629194 [0,3,0,0,0,0|0,0,1]=4 33520 B12R0.47 C/C=C/COC(C)COCCCC 7a_100011217071_100102629194 [0,3,0,0,0,0|0,0,1]=4 33521 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000757543_100000757094 [0,3,0,0,0,0|0,0,1]=4 33522 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000766728_100011995733 [0,3,0,0,0,0|0,0,1]=4 33523 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100000212188_100011215482 [0,3,0,0,0,0|1,0,0]=4 33524 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100011215552_100000210326 [0,3,0,0,0,0|1,0,0]=4 33525 B12R0.47 C=CCCCCN(C)CCCCC 2230a_100000223495_100011215482 [0,3,0,0,0,0|1,0,0]=4 33526 B12R0.47 C=CCCCCN(C)CCCCC 2230a_100012000471_100000210326 [0,3,0,0,0,0|1,0,0]=4 33527 B12R0.47 C=CCCCCN(C)CCCCC 269982a_100000223495_100011215482 [0,3,0,0,0,0|1,0,0]=4 33528 B12R0.47 C=CCCCCN(C)CCCCC 269982a_100012000471_100000210215 [0,3,0,0,0,0|1,0,0]=4 33529 B12R0.47 C=CCCCOC(C)CCCCC 34a_100000758997_200011218191 [0,3,0,0,0,0|0,0,1]=4 33530 B12R0.47 C=CCCCOC(C)CCCCC 34a_100011215632_100000757094 [0,3,0,0,0,0|0,0,1]=4 33531 B12R0.47 C=CCCCOC(C)CCCCC 7a_100000758997_200011218191 [0,3,0,0,0,0|0,0,1]=4 33532 B12R0.47 C=CCCCOC(C)CCCCC 7a_100011215632_100000757094 [0,3,0,0,0,0|0,0,1]=4 33533 B12R0.47 C=CCCCOC(C)CCCOC 34a_200011539412_100000757094 [0,3,0,0,0,0|0,0,1]=4 33534 B12R0.47 C=CCCCOC(C)CCCOC 7a_200011539412_100000757094 [0,3,0,0,0,0|0,0,1]=4 33535 B12R0.47 C=CCCOC(C)COCCCC 34a_100011217071_100000754431 [0,3,0,0,0,0|0,0,1]=4 33536 B12R0.47 C=CCCOC(C)COCCCC 7a_100011217071_100000754431 [0,3,0,0,0,0|0,0,1]=4 33537 B12R0.47 CC#CCCOC(C)CCCCC 34a_100000750427_200011218191 [0,3,0,0,0,0|0,0,1]=4 33538 B12R0.47 CC#CCOC(C)COCCCC 34a_100011217071_100000748600 [0,3,0,0,0,0|0,0,1]=4 33539 B12R0.47 CC#CCOC(C)COCCCC 7a_100011217071_100000748600 [0,3,0,0,0,0|0,0,1]=4 33540 B12R0.47 CC/C=C/CC(=O)COCCCC 1458a_100016274230_100011995733 [0,3,0,0,0,0|0,0,1]=4 33541 B12R0.47 CC/C=C\CC(=O)COCCCC 1458a_100000757543_100103147603 [0,3,0,0,0,0|0,0,1]=4 33542 B12R0.47 CC/C=C\CCC(=O)CCCCC 1458a_100000212188_100015370543 [0,3,0,0,0,0|1,0,0]=4 33543 B12R0.47 CC/C=C\CCN(C)CCCCC 2230a_100000223495_100015370543 [0,3,0,0,0,0|1,0,0]=4 33544 B12R0.47 CC/C=C\CCN(C)CCCCC 269982a_100000223495_100015370543 [0,3,0,0,0,0|1,0,0]=4 33545 B12R0.47 CC/C=C\COC(C)CCCCC 34a_100011215632_100103147603 [0,3,0,0,0,0|0,0,1]=4 33546 B12R0.47 CC/C=C\COC(C)CCCCC 34a_100016268518_200011218191 [0,3,0,0,0,0|0,0,1]=4 33547 B12R0.47 CC/C=C\COC(C)CCCCC 7a_100011215632_100103147603 [0,3,0,0,0,0|0,0,1]=4 33548 B12R0.47 CC/C=C\COC(C)CCCOC 34a_200011539412_100103147603 [0,3,0,0,0,0|0,0,1]=4 33549 B12R0.47 CC/C=C\COC(C)CCCOC 7a_200011539412_100103147603 [0,3,0,0,0,0|0,0,1]=4 33550 B12R0.47 CC=CCOC(C)COCCCC 34a_100011217071_100000070051 [0,3,0,0,0,0|0,0,1]=4 33551 B12R0.47 CC=CCOC(C)COCCCC 7a_100011217071_100000070051 [0,3,0,0,0,0|0,0,1]=4 33552 B12R0.47 CCC#CCC(=O)COCCCC 1458a_100000757543_100009813939 [0,3,0,0,0,0|0,0,1]=4 33553 B12R0.47 CCC#CCC(C)OCCCCC 34a_200000035118_100000718602 [0,3,0,0,0,0|0,0,0]=3 33554 B12R0.47 CCC#CCC(C)OCCCCC 7a_200000035118_100000210326 [0,3,0,0,0,0|0,0,0]=3 33555 B12R0.47 CCC#CCC(C)OCCCCF 34a_200000035118_100000729493 [0,3,0,0,0,0|0,0,1]=4 33556 B12R0.47 CCC#CCC(C)OCCCCF 7a_200000035118_100000729493 [0,3,0,0,0,0|0,0,1]=4 33557 B12R0.47 CCC#CCC(C)OCCCCO 34a_200000035118_100011216708 [0,3,0,0,0,0|0,0,1]=4 33558 B12R0.47 CCC#CCC(C)OCCCCO 7a_200000035118_100000210776 [0,3,0,0,0,0|0,0,1]=4 33559 B12R0.47 CCC#CCC(C)OCCCOC 34a_200000035118_100000740836 [0,3,0,0,0,0|0,0,1]=4 33560 B12R0.47 CCC#CCC(C)OCCCOC 7a_200000035118_100000740836 [0,3,0,0,0,0|0,0,1]=4 33561 B12R0.47 CCC#CCC(C)OCCOCC 34a_200000035118_100000210147 [0,3,0,0,0,0|0,0,1]=4 33562 B12R0.47 CCC#CCC(C)OCCOCC 7a_200000035118_100011215890 [0,3,0,0,0,0|0,0,1]=4 33563 B12R0.47 CCC#CCC(C)OCCSCC 34a_200000035118_100000757381 [0,3,0,0,0,0|0,0,1]=4 33564 B12R0.47 CCC#CCC(C)OCCSCC 7a_200000035118_100000757381 [0,3,0,0,0,0|0,0,1]=4 33565 B12R0.47 CCC#CCOC(C)CCCCC 34a_100000032950_200011218191 [0,3,0,0,0,0|0,0,1]=4 33566 B12R0.47 CCC#CCOC(C)CCCCC 34a_100011215632_100009813939 [0,3,0,0,0,0|0,0,1]=4 33567 B12R0.47 CCC#CCOC(C)CCCCC 7a_100011215632_100009813939 [0,3,0,0,0,0|0,0,1]=4 33568 B12R0.47 CCC#CCOC(C)CCCOC 34a_200011539412_100009813939 [0,3,0,0,0,0|0,0,1]=4 33569 B12R0.47 CCC#CCOC(C)CCCOC 7a_200011539412_100009813939 [0,3,0,0,0,0|0,0,1]=4 33570 B12R0.47 CCC/C=C/CC(=O)CCCCC 1458a_200016266809_100000210326 [0,3,0,0,0,0|1,0,0]=4 33571 B12R0.47 CCCC#CC(=O)COCCCC 1458a_200011218047_100011995733 [0,3,0,0,0,0|0,0,1]=4 33572 B12R0.47 CCCC=CC(=O)COCCCC 1458a_100000212230_100011995733 [0,3,0,0,0,0|0,0,1]=4 33573 B12R0.47 CCCCC=CC(=O)CCCCC 1458a_100016266645_100000210326 [0,3,0,0,0,0|1,0,0]=4 33574 B12R0.47 CCCCCC(=NNCCCC)C 4a_100025702795_100000211708 [0,3,0,0,0,0|1,0,0]=4 33575 B12R0.47 CCCCCC(=O)CCCCC#N 1458a_100000212188_100000211819 [0,3,0,0,0,0|1,0,0]=4 33576 B12R0.47 CCCCCC(=O)CCCCCF 1458a_100000212188_100000729378 [0,3,0,0,0,0|1,0,0]=4 33577 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100000212188_100000746330 [0,3,0,0,0,0|1,0,0]=4 33578 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100102619762_100000210326 [0,3,0,0,0,0|1,0,0]=4 33579 B12R0.47 CCCCCC(=O)CCCCOC 1458a_100000212188_100000755781 [0,3,0,0,0,0|1,0,0]=4 33580 B12R0.47 CCCCCC(=O)CCCOCC 1458a_100000212188_100012232248 [0,3,0,0,0,0|1,0,0]=4 33581 B12R0.47 CCCCCC(=O)CCOCCC 1458a_100000212188_100011215938 [0,3,0,0,0,0|1,0,0]=4 33582 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100000212188_100011215305 [0,3,0,0,0,0|1,0,0]=4 33583 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100011229844_100000210326 [0,3,0,0,0,0|1,0,0]=4 33584 B12R0.47 CCCCCC(=O)CNCCCC 2230a_100000102301_200012276598 [0,3,0,0,0,0|1,0,0]=4 33585 B12R0.47 CCCCCC(=O)CNCCCC 7a_106832991798_200012276598 [0,3,0,0,0,0|1,0,0]=4 33586 B12R0.47 CCCCCC(=O)CNCCCF 2230a_100015189416_200012276598 [0,3,0,0,0,0|1,0,0]=4 33587 B12R0.47 CCCCCC(=O)CNCCCF 34a_100015189416_200012276598 [0,3,0,0,0,0|1,0,0]=4 33588 B12R0.47 CCCCCC(=O)CNCCOC 2230a_100000209980_200012276598 [0,3,0,0,0,0|1,0,0]=4 33589 B12R0.47 CCCCCC(=O)CNCCSC 2230a_100020590264_200012276598 [0,3,0,0,0,0|1,0,0]=4 33590 B12R0.47 CCCCCC(=O)COCCCBr 34a_100011217188_200012276598 [0,3,0,0,0,0|1,0,0]=4 33591 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000212188_100011995733 [0,3,0,0,0,0|0,0,0]=3 33592 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000757543_100000210326 [0,3,0,0,0,0|0,0,0]=3 33593 B12R0.47 CCCCCC(=O)COCCCC 34a_100000210227_200012276598 [0,3,0,0,0,0|0,0,0]=3 33594 B12R0.47 CCCCCC(=O)COCCCC 7a_100000210227_200012276598 [0,3,0,0,0,0|0,0,0]=3 33595 B12R0.47 CCCCCC(=O)COCCCCl 34a_100000230001_200012276598 [0,3,0,0,0,0|1,0,0]=4 33596 B12R0.47 CCCCCC(=O)COCCCF 34a_100000759539_200012276598 [0,3,0,0,0,0|1,0,0]=4 33597 B12R0.47 CCCCCC(=O)COCCCN 34a_100000182051_200012276598 [0,3,0,0,0,0|1,0,0]=4 33598 B12R0.47 CCCCCC(=O)COCCOC 1458a_100000211095_100000210326 [0,3,0,0,0,0|1,0,0]=4 33599 B12R0.47 CCCCCC(=O)COCCOC 34a_100000210237_200012276598 [0,3,0,0,0,0|1,0,0]=4 33600 B12R0.47 CCCCCC(=O)COCCSC 34a_100000230434_200012276598 [0,3,0,0,0,0|1,0,0]=4 33601 B12R0.47 CCCCCC(=O)COCCSC 7a_100000230434_200012276598 [0,3,0,0,0,0|1,0,0]=4 33602 B12R0.47 CCCCCC(=O)CSCCCC 1458a_100000191162_100000210326 [0,3,0,0,0,0|0,1,0]=4 33603 B12R0.47 CCCCCC(=O)CSCCCC 62a_100000210211_200012276598 [0,3,0,0,0,0|0,1,0]=4 33604 B12R0.47 CCCCCC(=O)CSCCCC 62a_200012276598_100000210210 [0,3,0,0,0,0|0,1,0]=4 33605 B12R0.47 CCCCCC(=O)CSCCCF 62a_100011934791_200012276598 [0,3,0,0,0,0|1,0,0]=4 33606 B12R0.47 CCCCCC(=O)CSCCCF 62a_200012276598_100011934791 [0,3,0,0,0,0|1,0,0]=4 33607 B12R0.47 CCCCCC(=O)CSCCCO 62a_100011215043_200012276598 [0,3,0,0,0,0|1,0,0]=4 33608 B12R0.47 CCCCCC(=O)CSCCCO 62a_200012276598_100011215043 [0,3,0,0,0,0|1,0,0]=4 33609 B12R0.47 CCCCCC(=O)CSCCOC 62a_100000233755_200012276598 [0,3,0,0,0,0|1,0,0]=4 33610 B12R0.47 CCCCCC(=O)CSCCOC 62a_200012276598_100000233755 [0,3,0,0,0,0|1,0,0]=4 33611 B12R0.47 CCCCCC(=O)CSCCSC 62a_100000212216_200012276598 [0,3,0,0,0,0|1,0,0]=4 33612 B12R0.47 CCCCCC(=O)CSCCSC 62a_200012276598_100000751147 [0,3,0,0,0,0|1,0,0]=4 33613 B12R0.47 CCCCCC(=O)CSCOCC 62a_100000739092_200012276598 [0,3,0,0,0,0|1,0,0]=4 33614 B12R0.47 CCCCCC(=O)CSCOCC 62a_200012276598_100000739092 [0,3,0,0,0,0|1,0,0]=4 33615 B12R0.47 CCCCCC(=O)NCCCCO 240690a_100000750430_100000212188 [0,3,0,0,0,0|1,0,0]=4 33616 B12R0.47 CCCCCC(=O)NCCCCO 527a_100000750430_100000212188 [0,3,0,0,0,0|1,0,0]=4 33617 B12R0.47 CCCCCC(=O)NCCCOC 1626a_100150723488_100000212188 [0,3,0,0,0,0|1,0,0]=4 33618 B12R0.47 CCCCCC(=O)NCCCOC 240690a_100150723488_100000212188 [0,3,0,0,0,0|1,0,0]=4 33619 B12R0.47 CCCCCC(=O)NCCCOC 527a_100150723488_100000212188 [0,3,0,0,0,0|1,0,0]=4 33620 B12R0.47 CCCCCC(=O)NCCCSC 11a_100000749238_100000212188 [0,3,0,0,0,0|1,0,0]=4 33621 B12R0.47 CCCCCC(=O)NCCCSC 1626a_100000749238_100000212188 [0,3,0,0,0,0|1,0,0]=4 33622 B12R0.47 CCCCCC(=O)NCCCSC 240690a_100000749238_100000212188 [0,3,0,0,0,0|1,0,0]=4 33623 B12R0.47 CCCCCC(=O)NCCCSC 527a_100000749238_100000212188 [0,3,0,0,0,0|1,0,0]=4 33624 B12R0.47 CCCCCC(=O)NCCOCC 11a_100011200944_100000212188 [0,3,0,0,0,0|1,0,0]=4 33625 B12R0.47 CCCCCC(=O)NCCOCC 1626a_102516460346_100000212188 [0,3,0,0,0,0|1,0,0]=4 33626 B12R0.47 CCCCCC(=O)NCCOCC 240690a_100011200944_100000212188 [0,3,0,0,0,0|1,0,0]=4 33627 B12R0.47 CCCCCC(=O)NCCOCC 527a_100011200944_100000212188 [0,3,0,0,0,0|1,0,0]=4 33628 B12R0.47 CCCCCC(=O)NCCSCC 11a_100000106463_100000212188 [0,3,0,0,0,0|1,0,0]=4 33629 B12R0.47 CCCCCC(=O)NCCSCC 1626a_100000106463_100000212188 [0,3,0,0,0,0|1,0,0]=4 33630 B12R0.47 CCCCCC(=O)NCCSCC 240690a_100000106463_100000212188 [0,3,0,0,0,0|1,0,0]=4 33631 B12R0.47 CCCCCC(=O)NCCSCC 527a_100000106463_100000212188 [0,3,0,0,0,0|1,0,0]=4 33632 B12R0.47 CCCCCC(=O)NNCCCC 22a_100025702795_100000212188 [0,3,0,0,0,0|1,0,0]=4 33633 B12R0.47 CCCCCC(C)NCCCCF 2230a_100000211957_100000729493 [0,3,0,0,0,0|1,0,0]=4 33634 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000211957_100000210776 [0,3,0,0,0,0|1,0,0]=4 33635 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000750430_200011218191 [0,3,0,0,0,0|1,0,0]=4 33636 B12R0.47 CCCCCC(C)NCCCCO 270004a_100000750430_100000211708 [0,3,0,0,0,0|1,0,0]=4 33637 B12R0.47 CCCCCC(C)NCCCCO 34a_100000750430_200011218191 [0,3,0,0,0,0|1,0,0]=4 33638 B12R0.47 CCCCCC(C)NCCCOC 2230a_100000211957_100000740836 [0,3,0,0,0,0|1,0,0]=4 33639 B12R0.47 CCCCCC(C)NCCCOC 270004a_100150723488_100000211708 [0,3,0,0,0,0|1,0,0]=4 33640 B12R0.47 CCCCCC(C)NCCCOC 34a_100150723488_200011218191 [0,3,0,0,0,0|1,0,0]=4 33641 B12R0.47 CCCCCC(C)NCCCSC 2230a_100000749238_200011218191 [0,3,0,0,0,0|1,0,0]=4 33642 B12R0.47 CCCCCC(C)NCCCSC 270004a_100000749238_100000211708 [0,3,0,0,0,0|1,0,0]=4 33643 B12R0.47 CCCCCC(C)NCCOCC 2230a_100000211957_100011215890 [0,3,0,0,0,0|1,0,0]=4 33644 B12R0.47 CCCCCC(C)NCCOCC 2230a_102516460346_200011218191 [0,3,0,0,0,0|1,0,0]=4 33645 B12R0.47 CCCCCC(C)NCCOCC 270004a_102516460346_100000211708 [0,3,0,0,0,0|1,0,0]=4 33646 B12R0.47 CCCCCC(C)NCCOCC 34a_102516460346_200011218191 [0,3,0,0,0,0|1,0,0]=4 33647 B12R0.47 CCCCCC(C)NCCSCC 2230a_100000106463_200011218191 [0,3,0,0,0,0|1,0,0]=4 33648 B12R0.47 CCCCCC(C)NCCSCC 2230a_100000211957_100000757381 [0,3,0,0,0,0|1,0,0]=4 33649 B12R0.47 CCCCCC(C)NCCSCC 270004a_100000106463_100000211708 [0,3,0,0,0,0|1,0,0]=4 33650 B12R0.47 CCCCCC(C)OCCCC#N 7a_100011215632_100000687738 [0,3,0,0,0,0|0,0,1]=4 33651 B12R0.47 CCCCCC(C)OCCCC=O 7a_100011215632_200011292268 [0,3,0,0,0,0|0,0,1]=4 33652 B12R0.47 CCCCCC(C)OCCCCBr 34a_100011216708_200011218191 [0,3,0,0,0,0|0,0,0]=3 33653 B12R0.47 CCCCCC(C)OCCCCCl 34a_100000210776_200011218191 [0,3,0,0,0,0|0,0,0]=3 33654 B12R0.47 CCCCCC(C)OCCCCCl 7a_100000210776_200011218191 [0,3,0,0,0,0|0,0,0]=3 33655 B12R0.47 CCCCCC(C)OCCCCF 34a_100011215632_100000729493 [0,3,0,0,0,0|0,0,0]=3 33656 B12R0.47 CCCCCC(C)OCCCCF 34a_100011995726_200011218191 [0,3,0,0,0,0|0,0,0]=3 33657 B12R0.47 CCCCCC(C)OCCCCF 7a_100011215632_100000729493 [0,3,0,0,0,0|0,0,0]=3 33658 B12R0.47 CCCCCC(C)OCCCCF 7a_100011995726_200011218191 [0,3,0,0,0,0|0,0,0]=3 33659 B12R0.47 CCCCCC(C)OCCCCI 34a_200012148704_200011218191 [0,3,0,0,0,0|0,0,0]=3 33660 B12R0.47 CCCCCC(C)OCCCCN 34a_100000750430_200011218191 [0,3,0,0,0,0|0,0,0]=3 33661 B12R0.47 CCCCCC(C)OCCCCO 34a_100011215632_100011216708 [0,3,0,0,0,0|0,0,0]=3 33662 B12R0.47 CCCCCC(C)OCCCCO 7a_100011215632_100000210776 [0,3,0,0,0,0|0,0,0]=3 33663 B12R0.47 CCCCCC(C)OCCCNC 34a_100000213112_200011218191 [0,3,0,0,0,0|0,0,0]=3 33664 B12R0.47 CCCCCC(C)OCCCOC 34a_100000740835_200011218191 [0,3,0,0,0,0|0,0,0]=3 33665 B12R0.47 CCCCCC(C)OCCCOC 34a_100011215632_100000740836 [0,3,0,0,0,0|0,0,0]=3 33666 B12R0.47 CCCCCC(C)OCCCOC 7a_100011215632_100000740836 [0,3,0,0,0,0|0,0,0]=3 33667 B12R0.47 CCCCCC(C)OCCCSC 34a_100000690336_200011218191 [0,3,0,0,0,0|0,0,0]=3 33668 B12R0.47 CCCCCC(C)OCCCSC 7a_100000690336_200011218191 [0,3,0,0,0,0|0,0,0]=3 33669 B12R0.47 CCCCCC(C)OCCOCC 34a_100000210136_200011218191 [0,3,0,0,0,0|0,0,0]=3 33670 B12R0.47 CCCCCC(C)OCCOCC 34a_100011215632_100000210147 [0,3,0,0,0,0|0,0,0]=3 33671 B12R0.47 CCCCCC(C)OCCOCC 7a_100000210136_200011218191 [0,3,0,0,0,0|0,0,0]=3 33672 B12R0.47 CCCCCC(C)OCCOCC 7a_100011215632_100011215890 [0,3,0,0,0,0|0,0,0]=3 33673 B12R0.47 CCCCCC(C)OCCSCC 34a_100000212035_200011218191 [0,3,0,0,0,0|0,0,0]=3 33674 B12R0.47 CCCCCC(C)OCCSCC 34a_100011215632_100000757381 [0,3,0,0,0,0|0,0,0]=3 33675 B12R0.47 CCCCCC(C)OCCSCC 7a_100000212035_200011218191 [0,3,0,0,0,0|0,0,0]=3 33676 B12R0.47 CCCCCC(C)OCCSCC 7a_100011215632_100000757381 [0,3,0,0,0,0|0,0,0]=3 33677 B12R0.47 CCCCCC(C)SCCCCF 62a_100000729493_200011218191 [0,3,0,0,0,0|0,1,0]=4 33678 B12R0.47 CCCCCC(C)SCCCCF 62a_200011218191_100000729493 [0,3,0,0,0,0|0,1,0]=4 33679 B12R0.47 CCCCCC(C)SCCCCO 62a_100000210776_200011218191 [0,3,0,0,0,0|0,1,0]=4 33680 B12R0.47 CCCCCC(C)SCCCCO 62a_200011218191_100000210776 [0,3,0,0,0,0|0,1,0]=4 33681 B12R0.47 CCCCCC(C)SCCCOC 62a_100000709357_200011218191 [0,3,0,0,0,0|0,1,0]=4 33682 B12R0.47 CCCCCC(C)SCCCOC 62a_200011218191_100000709357 [0,3,0,0,0,0|0,1,0]=4 33683 B12R0.47 CCCCCC(C)SCCOCC 62a_100000210147_200011218191 [0,3,0,0,0,0|0,1,0]=4 33684 B12R0.47 CCCCCC(C)SCCOCC 62a_200011218191_100011215890 [0,3,0,0,0,0|0,1,0]=4 33685 B12R0.47 CCCCCC(C)SCCSCC 62a_100000757381_200011218191 [0,3,0,0,0,0|0,1,0]=4 33686 B12R0.47 CCCCCC(C)SCCSCC 62a_200011218191_100000757381 [0,3,0,0,0,0|0,1,0]=4 33687 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100000212188_100000210757 [0,3,0,0,0,0|1,0,0]=4 33688 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100102632555_100000210326 [0,3,0,0,0,0|1,0,0]=4 33689 B12R0.47 CCCCCCC(=O)CCCCF 1458a_100102632555_100000729493 [0,3,0,0,0,0|1,0,0]=4 33690 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100000695505_100000210757 [0,3,0,0,0,0|1,0,0]=4 33691 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100102632555_100000210776 [0,3,0,0,0,0|1,0,0]=4 33692 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100000741012_100000210757 [0,3,0,0,0,0|1,0,0]=4 33693 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100102632555_100000740836 [0,3,0,0,0,0|1,0,0]=4 33694 B12R0.47 CCCCCCC(=O)CCCSC 1458a_100000173376_100000210757 [0,3,0,0,0,0|1,0,0]=4 33695 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100000749530_100000210757 [0,3,0,0,0,0|1,0,0]=4 33696 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100102632555_100011215890 [0,3,0,0,0,0|1,0,0]=4 33697 B12R0.47 CCCCCCC(=O)CCSCC 1458a_100000230768_100000210757 [0,3,0,0,0,0|1,0,0]=4 33698 B12R0.47 CCCCCCC(=O)CCSCC 1458a_100102632555_100000757381 [0,3,0,0,0,0|1,0,0]=4 33699 B12R0.47 CCCCCCC(=O)COCCC 1458a_100000745993_100000210757 [0,3,0,0,0,0|1,0,0]=4 33700 B12R0.47 CCCCCCC(=O)CSCCC 1458a_100000217233_100000210757 [0,3,0,0,0,0|1,0,0]=4 33701 B12R0.47 CCCCCCC(=O)NCCCC 11a_100000102301_100102632555 [0,3,0,0,0,0|1,0,0]=4 33702 B12R0.47 CCCCCCC(=O)NCCCC 1626a_100000102301_100102632555 [0,3,0,0,0,0|1,0,0]=4 33703 B12R0.47 CCCCCCC(=O)NCCCC 240690a_100000102301_100102632555 [0,3,0,0,0,0|1,0,0]=4 33704 B12R0.47 CCCCCCC(=O)NCCCC 527a_100000102301_100102632555 [0,3,0,0,0,0|1,0,0]=4 33705 B12R0.47 CCCCCCC(C)CCOCC 34a_200011024964_100000210202 [0,3,0,0,0,0|1,0,0]=4 33706 B12R0.47 CCCCCCC(C)CCOCC 7a_200011024964_100000210202 [0,3,0,0,0,0|1,0,0]=4 33707 B12R0.47 CCCCCCC(C)CCOCF 34a_200011024964_100015361967 [0,3,0,0,0,0|1,0,0]=4 33708 B12R0.47 CCCCCCC(C)CCOCF 7a_200011024964_100015361967 [0,3,0,0,0,0|1,0,0]=4 33709 B12R0.47 CCCCCCC(C)NCCCC 2230a_100000102301_100011215978 [0,3,0,0,0,0|1,0,0]=4 33710 B12R0.47 CCCCCCC(C)NCCCC 2230a_100000210919_100000210211 [0,3,0,0,0,0|1,0,0]=4 33711 B12R0.47 CCCCCCC(C)NCCCC 270004a_100000102301_100000210826 [0,3,0,0,0,0|1,0,0]=4 33712 B12R0.47 CCCCCCC(C)NCCCC 34a_100000210919_100000210210 [0,3,0,0,0,0|1,0,0]=4 33713 B12R0.47 CCCCCCC(C)NCCCC 7a_106832991798_100011215978 [0,3,0,0,0,0|1,0,0]=4 33714 B12R0.47 CCCCCCC(C)NCCCF 2230a_100000210919_100011934791 [0,3,0,0,0,0|1,0,0]=4 33715 B12R0.47 CCCCCCC(C)NCCCF 2230a_100015189416_100011215978 [0,3,0,0,0,0|1,0,0]=4 33716 B12R0.47 CCCCCCC(C)NCCCF 270004a_100015189416_100000210826 [0,3,0,0,0,0|1,0,0]=4 33717 B12R0.47 CCCCCCC(C)NCCCF 34a_100000210919_100011934791 [0,3,0,0,0,0|1,0,0]=4 33718 B12R0.47 CCCCCCC(C)NCCCF 34a_100015189416_100011215978 [0,3,0,0,0,0|1,0,0]=4 33719 B12R0.47 CCCCCCC(C)NCCCO 2230a_100000210919_100000230001 [0,3,0,0,0,0|1,0,0]=4 33720 B12R0.47 CCCCCCC(C)NCCCO 270004a_100000182051_100000210826 [0,3,0,0,0,0|1,0,0]=4 33721 B12R0.47 CCCCCCC(C)NCCCO 34a_100000210919_100000230001 [0,3,0,0,0,0|1,0,0]=4 33722 B12R0.47 CCCCCCC(C)NCCOC 2230a_100000209980_100011215978 [0,3,0,0,0,0|1,0,0]=4 33723 B12R0.47 CCCCCCC(C)NCCOC 2230a_100000210919_100011201679 [0,3,0,0,0,0|1,0,0]=4 33724 B12R0.47 CCCCCCC(C)NCCOC 270004a_100000209980_100000210826 [0,3,0,0,0,0|1,0,0]=4 33725 B12R0.47 CCCCCCC(C)NCCOC 34a_100000210919_100011201679 [0,3,0,0,0,0|1,0,0]=4 33726 B12R0.47 CCCCCCC(C)NCCSC 2230a_100000210919_100000751147 [0,3,0,0,0,0|1,0,0]=4 33727 B12R0.47 CCCCCCC(C)NCCSC 2230a_100020590264_100011215978 [0,3,0,0,0,0|1,0,0]=4 33728 B12R0.47 CCCCCCC(C)NCCSC 270004a_100020590264_100000210826 [0,3,0,0,0,0|1,0,0]=4 33729 B12R0.47 CCCCCCC(C)NCCSC 34a_100000210919_100000212216 [0,3,0,0,0,0|1,0,0]=4 33730 B12R0.47 CCCCCCC(C)OCCCBr 34a_100011217188_100011215978 [0,3,0,0,0,0|1,0,0]=4 33731 B12R0.47 CCCCCCC(C)OCCCC 34a_100000210227_100011215978 [0,3,0,0,0,0|0,0,0]=3 33732 B12R0.47 CCCCCCC(C)OCCCC 34a_100000210265_100000210210 [0,3,0,0,0,0|0,0,0]=3 33733 B12R0.47 CCCCCCC(C)OCCCC 7a_100000210227_100011215978 [0,3,0,0,0,0|0,0,0]=3 33734 B12R0.47 CCCCCCC(C)OCCCC 7a_100000210265_100000210211 [0,3,0,0,0,0|0,0,0]=3 33735 B12R0.47 CCCCCCC(C)OCCCCl 34a_100000230001_100011215978 [0,3,0,0,0,0|1,0,0]=4 33736 B12R0.47 CCCCCCC(C)OCCCF 34a_100000210265_100011934791 [0,3,0,0,0,0|1,0,0]=4 33737 B12R0.47 CCCCCCC(C)OCCCF 34a_100000759539_100011215978 [0,3,0,0,0,0|1,0,0]=4 33738 B12R0.47 CCCCCCC(C)OCCCF 7a_100000210265_100011934791 [0,3,0,0,0,0|1,0,0]=4 33739 B12R0.47 CCCCCCC(C)OCCCN 34a_100000182051_100011215978 [0,3,0,0,0,0|1,0,0]=4 33740 B12R0.47 CCCCCCC(C)OCCCO 34a_100000210265_100000230001 [0,3,0,0,0,0|1,0,0]=4 33741 B12R0.47 CCCCCCC(C)OCCCO 7a_100000210265_100011215043 [0,3,0,0,0,0|1,0,0]=4 33742 B12R0.47 CCCCCCC(C)OCCOC 34a_100000210237_100011215978 [0,3,0,0,0,0|1,0,0]=4 33743 B12R0.47 CCCCCCC(C)OCCOC 34a_100000210265_100011201679 [0,3,0,0,0,0|1,0,0]=4 33744 B12R0.47 CCCCCCC(C)OCCOC 7a_100000210265_100000233755 [0,3,0,0,0,0|1,0,0]=4 33745 B12R0.47 CCCCCCC(C)OCCSC 34a_100000210265_100000212216 [0,3,0,0,0,0|1,0,0]=4 33746 B12R0.47 CCCCCCC(C)OCCSC 34a_100000230434_100011215978 [0,3,0,0,0,0|1,0,0]=4 33747 B12R0.47 CCCCCCC(C)OCCSC 7a_100000210265_100000212216 [0,3,0,0,0,0|1,0,0]=4 33748 B12R0.47 CCCCCCC(C)OCCSC 7a_100000230434_100011215978 [0,3,0,0,0,0|1,0,0]=4 33749 B12R0.47 CCCCCCC(C)SCCCC 62a_100000210211_100011215978 [0,3,0,0,0,0|0,1,0]=4 33750 B12R0.47 CCCCCCC(C)SCCCC 62a_100011215978_100000210210 [0,3,0,0,0,0|0,1,0]=4 33751 B12R0.47 CCCCCCC(C)SCCCF 62a_100011215978_100011934791 [0,3,0,0,0,0|1,0,0]=4 33752 B12R0.47 CCCCCCC(C)SCCCF 62a_100011934791_100011215978 [0,3,0,0,0,0|1,0,0]=4 33753 B12R0.47 CCCCCCC(C)SCCCO 62a_100011215043_100011215978 [0,3,0,0,0,0|1,0,0]=4 33754 B12R0.47 CCCCCCC(C)SCCCO 62a_100011215978_100011215043 [0,3,0,0,0,0|1,0,0]=4 33755 B12R0.47 CCCCCCC(C)SCCOC 62a_100000233755_100011215978 [0,3,0,0,0,0|1,0,0]=4 33756 B12R0.47 CCCCCCC(C)SCCOC 62a_100011215978_100000233755 [0,3,0,0,0,0|1,0,0]=4 33757 B12R0.47 CCCCCCC(C)SCCSC 62a_100000212216_100011215978 [0,3,0,0,0,0|1,0,0]=4 33758 B12R0.47 CCCCCCC(C)SCCSC 62a_100011215978_100000751147 [0,3,0,0,0,0|1,0,0]=4 33759 B12R0.47 CCCCCCC(C)SCOCC 62a_100000739092_100011215978 [0,3,0,0,0,0|1,0,0]=4 33760 B12R0.47 CCCCCCC(C)SCOCC 62a_100011215978_100000739092 [0,3,0,0,0,0|1,0,0]=4 33761 B12R0.47 CCCCCCN(C)CCCCC 2230a_100000223495_100000210314 [0,3,0,0,0,0|1,0,0]=4 33762 B12R0.47 CCCCCCN(C)CCCCC 2230a_106256046315_100000210326 [0,3,0,0,0,0|1,0,0]=4 33763 B12R0.47 CCCCCCN(C)CCCCC 269982a_100000223495_100000210757 [0,3,0,0,0,0|1,0,0]=4 33764 B12R0.47 CCCCCCN(C)CCCCC 269982a_106256046315_100000210215 [0,3,0,0,0,0|1,0,0]=4 33765 B12R0.47 CCCCCCN(C)CCCCF 2230a_106256046315_100000729493 [0,3,0,0,0,0|1,0,0]=4 33766 B12R0.47 CCCCCCN(C)CCCCF 269982a_106256046315_100000729493 [0,3,0,0,0,0|1,0,0]=4 33767 B12R0.47 CCCCCCN(C)CCCCO 2230a_100000717598_100000210314 [0,3,0,0,0,0|1,0,0]=4 33768 B12R0.47 CCCCCCN(C)CCCCO 2230a_106256046315_100000210776 [0,3,0,0,0,0|1,0,0]=4 33769 B12R0.47 CCCCCCN(C)CCCCO 269982a_100000717598_100000210757 [0,3,0,0,0,0|1,0,0]=4 33770 B12R0.47 CCCCCCN(C)CCCCO 269982a_106256046315_100000210776 [0,3,0,0,0,0|1,0,0]=4 33771 B12R0.47 CCCCCCN(C)CCCOC 2230a_100000224831_100000210314 [0,3,0,0,0,0|1,0,0]=4 33772 B12R0.47 CCCCCCN(C)CCCOC 2230a_106256046315_100000740836 [0,3,0,0,0,0|1,0,0]=4 33773 B12R0.47 CCCCCCN(C)CCCOC 269982a_100000224831_100000210757 [0,3,0,0,0,0|1,0,0]=4 33774 B12R0.47 CCCCCCN(C)CCCOC 269982a_106256046315_100000740836 [0,3,0,0,0,0|1,0,0]=4 33775 B12R0.47 CCCCCCN(C)CCOCC 2230a_106256046315_100011215890 [0,3,0,0,0,0|1,0,0]=4 33776 B12R0.47 CCCCCCN(C)CCOCC 269982a_106256046315_100011215890 [0,3,0,0,0,0|1,0,0]=4 33777 B12R0.47 CCCCCCN(C)CCSCC 2230a_106256046315_100000757381 [0,3,0,0,0,0|1,0,0]=4 33778 B12R0.47 CCCCCCN(C)CCSCC 269982a_106256046315_100000757381 [0,3,0,0,0,0|1,0,0]=4 33779 B12R0.47 CCCCCN(C)CCCCC#N 2230a_100000223495_100000211819 [0,3,0,0,0,0|1,0,0]=4 33780 B12R0.47 CCCCCN(C)CCCCC#N 269982a_100000223495_100011219923 [0,3,0,0,0,0|1,0,0]=4 33781 B12R0.47 CCCCCN(C)CCCCC=O 2230a_100000223495_100000139335 [0,3,0,0,0,0|1,0,0]=4 33782 B12R0.47 CCCCCN(C)CCCCC=O 269982a_100000223495_100000139335 [0,3,0,0,0,0|1,0,0]=4 33783 B12R0.47 CCCCCN(C)CCCCCF 2230a_100000223495_100000729378 [0,3,0,0,0,0|1,0,0]=4 33784 B12R0.47 CCCCCN(C)CCCCCF 269982a_100000223495_100000729378 [0,3,0,0,0,0|1,0,0]=4 33785 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000223495_100000746330 [0,3,0,0,0,0|1,0,0]=4 33786 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000722520_100000210326 [0,3,0,0,0,0|1,0,0]=4 33787 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000223495_100000746330 [0,3,0,0,0,0|1,0,0]=4 33788 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000722520_100000210215 [0,3,0,0,0,0|1,0,0]=4 33789 B12R0.47 CCCCCN(C)CCCCOC 2230a_100000223495_100000730899 [0,3,0,0,0,0|1,0,0]=4 33790 B12R0.47 CCCCCN(C)CCCCOC 269982a_100000223495_100000730899 [0,3,0,0,0,0|1,0,0]=4 33791 B12R0.47 CCCCCN(C)CCCOCC 2230a_100000223495_100012232248 [0,3,0,0,0,0|1,0,0]=4 33792 B12R0.47 CCCCCN(C)CCCOCC 269982a_100000223495_100012232248 [0,3,0,0,0,0|1,0,0]=4 33793 B12R0.47 CCCCCN(C)CCOCCC 2230a_100000223495_100011215938 [0,3,0,0,0,0|1,0,0]=4 33794 B12R0.47 CCCCCN(C)CCOCCC 269982a_100000223495_100011215938 [0,3,0,0,0,0|1,0,0]=4 33795 B12R0.47 CCCCCN(C)CCOCCO 2230a_100000223495_100011215305 [0,3,0,0,0,0|1,0,0]=4 33796 B12R0.47 CCCCCN(C)CCOCCO 2230a_100000228057_100000210326 [0,3,0,0,0,0|1,0,0]=4 33797 B12R0.47 CCCCCN(C)CCOCCO 269982a_100000223495_100011215305 [0,3,0,0,0,0|1,0,0]=4 33798 B12R0.47 CCCCCN(C)CCOCCO 269982a_100000228057_100000210215 [0,3,0,0,0,0|1,0,0]=4 33799 B12R0.47 CCCCCN(C)COCCCC 2230a_100000223495_100011995733 [0,3,0,0,0,0|0,0,0]=3 33800 B12R0.47 CCCCCN(C)COCCCC 269982a_100000223495_100011995733 [0,3,0,0,0,0|0,0,0]=3 33801 B12R0.47 CCCCCN(C)COCCOC 2230a_100000223495_100000231047 [0,3,0,0,0,0|1,0,0]=4 33802 B12R0.47 CCCCCN(C)COCCOC 269982a_100000223495_100000231047 [0,3,0,0,0,0|1,0,0]=4 33803 B12R0.47 CCCCCNC(=O)CCCCC 11a_100000209983_100000212188 [0,3,0,0,0,0|1,0,0]=4 33804 B12R0.47 CCCCCNC(=O)CCCCC 1626a_100000209983_100000212188 [0,3,0,0,0,0|1,0,0]=4 33805 B12R0.47 CCCCCNC(=O)CCCCC 240690a_100000209983_100000212188 [0,3,0,0,0,0|1,0,0]=4 33806 B12R0.47 CCCCCNC(=O)CCCCC 527a_100000209983_100000212188 [0,3,0,0,0,0|1,0,0]=4 33807 B12R0.47 CCCCCNC(=O)CCCCO 1626a_100000209983_100000695505 [0,3,0,0,0,0|1,0,0]=4 33808 B12R0.47 CCCCCNC(=O)CCCOC 11a_100000209983_100000741012 [0,3,0,0,0,0|1,0,0]=4 33809 B12R0.47 CCCCCNC(=O)CCCOC 1626a_100000209983_100000741012 [0,3,0,0,0,0|1,0,0]=4 33810 B12R0.47 CCCCCNC(=O)CCCOC 240690a_100000209983_100000741012 [0,3,0,0,0,0|1,0,0]=4 33811 B12R0.47 CCCCCNC(=O)CCCOC 527a_100000209983_100000741012 [0,3,0,0,0,0|1,0,0]=4 33812 B12R0.47 CCCCCNC(=O)CCCSC 11a_100000209983_100000173376 [0,3,0,0,0,0|1,0,0]=4 33813 B12R0.47 CCCCCNC(=O)CCCSC 1626a_100000209983_100000173376 [0,3,0,0,0,0|1,0,0]=4 33814 B12R0.47 CCCCCNC(=O)CCCSC 240690a_100000209983_100000173376 [0,3,0,0,0,0|1,0,0]=4 33815 B12R0.47 CCCCCNC(=O)CCCSC 527a_100000209983_100000173376 [0,3,0,0,0,0|1,0,0]=4 33816 B12R0.47 CCCCCNC(=O)CCOCC 11a_100000209983_100000749530 [0,3,0,0,0,0|1,0,0]=4 33817 B12R0.47 CCCCCNC(=O)CCOCC 1626a_100000209983_100000749530 [0,3,0,0,0,0|1,0,0]=4 33818 B12R0.47 CCCCCNC(=O)CCOCC 240690a_100000209983_100000749530 [0,3,0,0,0,0|1,0,0]=4 33819 B12R0.47 CCCCCNC(=O)CCOCC 527a_100000209983_100000749530 [0,3,0,0,0,0|1,0,0]=4 33820 B12R0.47 CCCCCNC(=O)CCSCC 11a_100000209983_100000230768 [0,3,0,0,0,0|1,0,0]=4 33821 B12R0.47 CCCCCNC(=O)CCSCC 1626a_100000209983_100000230768 [0,3,0,0,0,0|1,0,0]=4 33822 B12R0.47 CCCCCNC(=O)CCSCC 240690a_100000209983_100000230768 [0,3,0,0,0,0|1,0,0]=4 33823 B12R0.47 CCCCCNC(=O)CCSCC 527a_100000209983_100000230768 [0,3,0,0,0,0|1,0,0]=4 33824 B12R0.47 CCCCCNC(=O)COCCC 11a_100000209983_100000745993 [0,3,0,0,0,0|1,0,0]=4 33825 B12R0.47 CCCCCNC(=O)COCCC 1626a_100000209983_100000745993 [0,3,0,0,0,0|1,0,0]=4 33826 B12R0.47 CCCCCNC(=O)COCCC 240690a_100000209983_100000745993 [0,3,0,0,0,0|1,0,0]=4 33827 B12R0.47 CCCCCNC(=O)COCCC 34a_100000210258_100000230301 [0,3,0,0,0,0|1,0,0]=4 33828 B12R0.47 CCCCCNC(=O)COCCC 527a_100000209983_100000745993 [0,3,0,0,0,0|1,0,0]=4 33829 B12R0.47 CCCCCNC(=O)CSCCC 11a_100000209983_100000217233 [0,3,0,0,0,0|1,0,0]=4 33830 B12R0.47 CCCCCNC(=O)CSCCC 1626a_100000209983_100000217233 [0,3,0,0,0,0|1,0,0]=4 33831 B12R0.47 CCCCCNC(=O)CSCCC 240690a_100000209983_100000217233 [0,3,0,0,0,0|1,0,0]=4 33832 B12R0.47 CCCCCNC(=O)CSCCC 527a_100000209983_100000217233 [0,3,0,0,0,0|1,0,0]=4 33833 B12R0.47 CCCCCNC(=O)CSCCC 62a_100000210303_100000230301 [0,3,0,0,0,0|1,0,0]=4 33834 B12R0.47 CCCCCNC(=O)CSCCC 62a_100000230301_100000210303 [0,3,0,0,0,0|1,0,0]=4 33835 B12R0.47 CCCCCNC(=O)NCCCC 2708a_100000102301_100000209983 [0,3,0,0,0,0|1,0,0]=4 33836 B12R0.47 CCCCCNC(=O)NCCCC 2708a_100000209983_100000102301 [0,3,0,0,0,0|1,0,0]=4 33837 B12R0.47 CCCCCNC(=O)NCCCC 273464a_100000102301_100000209983 [0,3,0,0,0,0|1,0,0]=4 33838 B12R0.47 CCCCCNC(=O)NCCCC 273464a_100000209983_100000102301 [0,3,0,0,0,0|1,0,0]=4 33839 B12R0.47 CCCCCNC(=O)NCCCC 512a_100000102301_100000209983 [0,3,0,0,0,0|1,0,0]=4 33840 B12R0.47 CCCCCNC(=O)NCCCC 512a_100000209983_100000102301 [0,3,0,0,0,0|1,0,0]=4 33841 B12R0.47 CCCCCNC(C)CCCC#N 270004a_100000209983_200000032708 [0,3,0,0,0,0|1,0,0]=4 33842 B12R0.47 CCCCCNC(C)CCCCC 2230a_100000209983_200011218191 [0,3,0,0,0,0|1,0,0]=4 33843 B12R0.47 CCCCCNC(C)CCCCC 2230a_100000211957_100000210326 [0,3,0,0,0,0|1,0,0]=4 33844 B12R0.47 CCCCCNC(C)CCCCC 270004a_100000209983_100000211708 [0,3,0,0,0,0|1,0,0]=4 33845 B12R0.47 CCCCCNC(C)CCCSC 270004a_100000209983_100011399439 [0,3,0,0,0,0|1,0,0]=4 33846 B12R0.47 CCCCCNC(C)CCOCC 270004a_100000209983_200011216536 [0,3,0,0,0,0|1,0,0]=4 33847 B12R0.47 CCCCCNC(C)CSCCC 270004a_100000209983_100011343953 [0,3,0,0,0,0|1,0,0]=4 33848 B12R0.47 CCCCCOC(C)CCCCC 34a_100000210253_200011218191 [0,3,0,0,0,0|0,0,0]=3 33849 B12R0.47 CCCCCOC(C)CCCCC 34a_100011215632_100000718602 [0,3,0,0,0,0|0,0,0]=3 33850 B12R0.47 CCCCCOC(C)CCCCC 7a_100000210253_200011218191 [0,3,0,0,0,0|0,0,0]=3 33851 B12R0.47 CCCCCOC(C)CCCCC 7a_100011215632_100000210326 [0,3,0,0,0,0|0,0,0]=3 33852 B12R0.47 CCCCCOC(C)CCCOC 34a_200011539412_100000718602 [0,3,0,0,0,0|0,0,0]=3 33853 B12R0.47 CCCCCOC(C)CCCOC 7a_200011539412_100000210326 [0,3,0,0,0,0|0,0,0]=3 33854 B12R0.47 CCCCCSC(C)CCCCC 62a_100000210326_200011218191 [0,3,0,0,0,0|0,1,0]=4 33855 B12R0.47 CCCCCSC(C)CCCCC 62a_200011218191_100000210326 [0,3,0,0,0,0|0,1,0]=4 33856 B12R0.47 CCCCNC(=O)CCCCCO 240690a_100000102301_100102619762 [0,3,0,0,0,0|1,0,0]=4 33857 B12R0.47 CCCCNC(=O)COCCCBr 34a_100011217188_100000182744 [0,3,0,0,0,0|1,0,0]=4 33858 B12R0.47 CCCCNC(=O)COCCCC 11a_100000102301_100000757543 [0,3,0,0,0,0|0,0,0]=3 33859 B12R0.47 CCCCNC(=O)COCCCC 1626a_100000102301_100000757543 [0,3,0,0,0,0|0,0,0]=3 33860 B12R0.47 CCCCNC(=O)COCCCC 240690a_100000102301_100000757543 [0,3,0,0,0,0|0,0,0]=3 33861 B12R0.47 CCCCNC(=O)COCCCC 34a_100000210227_100000182744 [0,3,0,0,0,0|0,0,0]=3 33862 B12R0.47 CCCCNC(=O)COCCCC 527a_100000102301_100000757543 [0,3,0,0,0,0|0,0,0]=3 33863 B12R0.47 CCCCNC(=O)COCCCC 7a_100000210227_100000182744 [0,3,0,0,0,0|0,0,0]=3 33864 B12R0.47 CCCCNC(=O)COCCCCl 34a_100000230001_100000182744 [0,3,0,0,0,0|1,0,0]=4 33865 B12R0.47 CCCCNC(=O)COCCCF 34a_100000759539_100000182744 [0,3,0,0,0,0|1,0,0]=4 33866 B12R0.47 CCCCNC(=O)COCCCN 34a_100000182051_100000182744 [0,3,0,0,0,0|1,0,0]=4 33867 B12R0.47 CCCCNC(=O)COCCOC 11a_100000102301_100000211095 [0,3,0,0,0,0|1,0,0]=4 33868 B12R0.47 CCCCNC(=O)COCCOC 1626a_100000102301_100000211095 [0,3,0,0,0,0|1,0,0]=4 33869 B12R0.47 CCCCNC(=O)COCCOC 240690a_100000102301_100000211095 [0,3,0,0,0,0|1,0,0]=4 33870 B12R0.47 CCCCNC(=O)COCCOC 34a_100000210237_100000182744 [0,3,0,0,0,0|1,0,0]=4 33871 B12R0.47 CCCCNC(=O)COCCOC 527a_100000102301_100000211095 [0,3,0,0,0,0|1,0,0]=4 33872 B12R0.47 CCCCNC(=O)COCCSC 34a_100000230434_100000182744 [0,3,0,0,0,0|1,0,0]=4 33873 B12R0.47 CCCCNC(=O)COCCSC 7a_100000230434_100000182744 [0,3,0,0,0,0|1,0,0]=4 33874 B12R0.47 CCCCNC(=O)CSCCCC 11a_100000102301_100000191162 [0,3,0,0,0,0|0,1,0]=4 33875 B12R0.47 CCCCNC(=O)CSCCCC 1626a_100000102301_100000191162 [0,3,0,0,0,0|0,1,0]=4 33876 B12R0.47 CCCCNC(=O)CSCCCC 240690a_100000102301_100000191162 [0,3,0,0,0,0|0,1,0]=4 33877 B12R0.47 CCCCNC(=O)CSCCCC 527a_100000102301_100000191162 [0,3,0,0,0,0|0,1,0]=4 33878 B12R0.47 CCCCNC(=O)CSCCCC 62a_100000182744_100000210210 [0,3,0,0,0,0|0,1,0]=4 33879 B12R0.47 CCCCNC(=O)CSCCCC 62a_100000210211_100000182744 [0,3,0,0,0,0|0,1,0]=4 33880 B12R0.47 CCCCNCC(=O)NCCCC 2230a_100000102301_100000182744 [0,3,0,0,0,0|1,0,0]=4 33881 B12R0.47 CCCCNCC(=O)NCCCC 7a_106832991798_100000182744 [0,3,0,0,0,0|1,0,0]=4 33882 B12R0.47 CCCCNCC(=O)OCCCC 2230a_100000102301_100000211628 [0,3,0,0,0,0|0,0,0]=3 33883 B12R0.47 CCCCNCC(=O)OCCCC 7a_106832991798_100000211628 [0,3,0,0,0,0|0,0,0]=3 33884 B12R0.47 CCCCNCC(=O)OCCOC 2230a_100000102301_200000040189 [0,3,0,0,0,0|1,0,0]=4 33885 B12R0.47 CCCCNCC(=O)OCCOC 7a_106832991798_200000040189 [0,3,0,0,0,0|1,0,0]=4 33886 B12R0.47 CCCCOC(=O)CNCCCF 2230a_100015189416_100000211628 [0,3,0,0,0,0|0,0,1]=4 33887 B12R0.47 CCCCOC(=O)CNCCCF 34a_100015189416_100000211628 [0,3,0,0,0,0|0,0,1]=4 33888 B12R0.47 CCCCOC(=O)CNCCOC 2230a_100000209980_100000211628 [0,3,0,0,0,0|0,0,1]=4 33889 B12R0.47 CCCCOC(=O)CNCCSC 2230a_100020590264_100000211628 [0,3,0,0,0,0|0,0,1]=4 33890 B12R0.47 CCCCOC(=O)COCCCBr 34a_100011217188_100000211628 [0,3,0,0,0,0|0,0,1]=4 33891 B12R0.47 CCCCOC(=O)COCCCCl 34a_100000230001_100000211628 [0,3,0,0,0,0|0,0,1]=4 33892 B12R0.47 CCCCOC(=O)COCCCF 34a_100000759539_100000211628 [0,3,0,0,0,0|0,0,1]=4 33893 B12R0.47 CCCCOC(=O)COCCCN 34a_100000182051_100000211628 [0,3,0,0,0,0|0,0,1]=4 33894 B12R0.47 CCCCOC(=O)COCCOC 34a_100000210237_100000211628 [0,3,0,0,0,0|0,0,1]=4 33895 B12R0.47 CCCCOC(=O)COCCSC 34a_100000230434_100000211628 [0,3,0,0,0,0|0,0,1]=4 33896 B12R0.47 CCCCOC(=O)COCCSC 7a_100000230434_100000211628 [0,3,0,0,0,0|0,0,1]=4 33897 B12R0.47 CCCCOC(=O)CSCCCC 62a_100000210211_100000211628 [0,3,0,0,0,0|0,0,0]=3 33898 B12R0.47 CCCCOC(=O)CSCCCC 62a_100000211628_100000210210 [0,3,0,0,0,0|0,0,0]=3 33899 B12R0.47 CCCCOC(=O)CSCCCF 62a_100000211628_100011934791 [0,3,0,0,0,0|0,0,1]=4 33900 B12R0.47 CCCCOC(=O)CSCCCF 62a_100011934791_100000211628 [0,3,0,0,0,0|0,0,1]=4 33901 B12R0.47 CCCCOC(=O)CSCCCO 62a_100000211628_100011215043 [0,3,0,0,0,0|0,0,1]=4 33902 B12R0.47 CCCCOC(=O)CSCCCO 62a_100011215043_100000211628 [0,3,0,0,0,0|0,0,1]=4 33903 B12R0.47 CCCCOC(=O)CSCCOC 62a_100000211628_100000233755 [0,3,0,0,0,0|0,0,1]=4 33904 B12R0.47 CCCCOC(=O)CSCCOC 62a_100000233755_100000211628 [0,3,0,0,0,0|0,0,1]=4 33905 B12R0.47 CCCCOC(=O)CSCCSC 62a_100000211628_100000751147 [0,3,0,0,0,0|0,0,1]=4 33906 B12R0.47 CCCCOC(=O)CSCCSC 62a_100000212216_100000211628 [0,3,0,0,0,0|0,0,1]=4 33907 B12R0.47 CCCCOC(=O)CSCOCC 62a_100000211628_100000739092 [0,3,0,0,0,0|0,0,1]=4 33908 B12R0.47 CCCCOC(=O)CSCOCC 62a_100000739092_100000211628 [0,3,0,0,0,0|0,0,1]=4 33909 B12R0.47 CCCCOCC(=O)CCCC#N 1458a_100000075515_100011995733 [0,3,0,0,0,0|0,0,1]=4 33910 B12R0.47 CCCCOCC(=O)CCCC#N 1458a_100000757543_100000211468 [0,3,0,0,0,0|0,0,1]=4 33911 B12R0.47 CCCCOCC(=O)CCCCF 1458a_100000757543_100000729493 [0,3,0,0,0,0|0,0,0]=3 33912 B12R0.47 CCCCOCC(=O)CCCCO 1458a_100000695505_100011995733 [0,3,0,0,0,0|0,0,0]=3 33913 B12R0.47 CCCCOCC(=O)CCCCO 1458a_100000757543_100000210776 [0,3,0,0,0,0|0,0,0]=3 33914 B12R0.47 CCCCOCC(=O)CCCOC 1458a_100000741012_100011995733 [0,3,0,0,0,0|0,0,0]=3 33915 B12R0.47 CCCCOCC(=O)CCCOC 1458a_100000757543_100000740836 [0,3,0,0,0,0|0,0,0]=3 33916 B12R0.47 CCCCOCC(=O)CCCSC 1458a_100000173376_100011995733 [0,3,0,0,0,0|0,0,0]=3 33917 B12R0.47 CCCCOCC(=O)CCOCC 1458a_100000749530_100011995733 [0,3,0,0,0,0|0,0,0]=3 33918 B12R0.47 CCCCOCC(=O)CCOCC 1458a_100000757543_100011215890 [0,3,0,0,0,0|0,0,0]=3 33919 B12R0.47 CCCCOCC(=O)CCSCC 1458a_100000230768_100011995733 [0,3,0,0,0,0|0,0,0]=3 33920 B12R0.47 CCCCOCC(=O)CCSCC 1458a_100000757543_100000757381 [0,3,0,0,0,0|0,0,0]=3 33921 B12R0.47 CCCCOCC(=O)COCCC 1458a_100000745993_100011995733 [0,3,0,0,0,0|0,0,0]=3 33922 B12R0.47 CCCCOCC(=O)COCCO 1458a_100000708028_100011995733 [0,3,0,0,0,0|0,0,1]=4 33923 B12R0.47 CCCCOCC(=O)CSCCC 1458a_100000217233_100011995733 [0,3,0,0,0,0|0,0,0]=3 33924 B12R0.47 CCCCOCC(=O)NCCCF 11a_100015189416_100000757543 [0,3,0,0,0,0|0,0,1]=4 33925 B12R0.47 CCCCOCC(=O)NCCCF 1626a_100015189416_100000757543 [0,3,0,0,0,0|0,0,1]=4 33926 B12R0.47 CCCCOCC(=O)NCCCF 240690a_100015189416_100000757543 [0,3,0,0,0,0|0,0,1]=4 33927 B12R0.47 CCCCOCC(=O)NCCCF 527a_100015189416_100000757543 [0,3,0,0,0,0|0,0,1]=4 33928 B12R0.47 CCCCOCC(=O)NCCCO 240690a_100000182051_100000757543 [0,3,0,0,0,0|0,0,1]=4 33929 B12R0.47 CCCCOCC(=O)NCCCO 527a_100000182051_100000757543 [0,3,0,0,0,0|0,0,1]=4 33930 B12R0.47 CCCCOCC(=O)NCCOC 1626a_100000209980_100000757543 [0,3,0,0,0,0|0,0,1]=4 33931 B12R0.47 CCCCOCC(=O)NCCOC 240690a_100000209980_100000757543 [0,3,0,0,0,0|0,0,1]=4 33932 B12R0.47 CCCCOCC(=O)NCCOC 34a_100000210227_100000183275 [0,3,0,0,0,0|0,0,1]=4 33933 B12R0.47 CCCCOCC(=O)NCCOC 527a_100000209980_100000757543 [0,3,0,0,0,0|0,0,1]=4 33934 B12R0.47 CCCCOCC(=O)NCCOC 7a_100000210227_100000183275 [0,3,0,0,0,0|0,0,1]=4 33935 B12R0.47 CCCCOCC(=O)NCCSC 11a_100020590264_100000757543 [0,3,0,0,0,0|0,0,1]=4 33936 B12R0.47 CCCCOCC(=O)NCCSC 1626a_100020590264_100000757543 [0,3,0,0,0,0|0,0,1]=4 33937 B12R0.47 CCCCOCC(=O)NCCSC 240690a_100020590264_100000757543 [0,3,0,0,0,0|0,0,1]=4 33938 B12R0.47 CCCCOCC(=O)NCCSC 527a_100020590264_100000757543 [0,3,0,0,0,0|0,0,1]=4 33939 B12R0.47 CCCCOCC(=O)NNCCC 22a_100000740057_100000757543 [0,3,0,0,0,0|0,0,1]=4 33940 B12R0.47 CCCCOCC(=O)OCCCC 34a_100000210227_100000211628 [0,3,0,0,0,0|0,0,0]=3 33941 B12R0.47 CCCCOCC(=O)OCCCC 7a_100000210227_100000211628 [0,3,0,0,0,0|0,0,0]=3 33942 B12R0.47 CCCCOCC(=O)OCCOC 34a_100000210227_200000040189 [0,3,0,0,0,0|0,0,1]=4 33943 B12R0.47 CCCCOCC(=O)OCCOC 7a_100000210227_200000040189 [0,3,0,0,0,0|0,0,1]=4 33944 B12R0.47 CCCCOCC(C)OCCC#N 7a_100011217071_100000184422 [0,3,0,0,0,0|0,0,1]=4 33945 B12R0.47 CCCCOCC(C)OCCCC 34a_100011217071_100000210210 [0,3,0,0,0,0|0,0,0]=3 33946 B12R0.47 CCCCOCC(C)OCCCC 7a_100011217071_100000210211 [0,3,0,0,0,0|0,0,0]=3 33947 B12R0.47 CCCCOCC(C)OCCCF 34a_100011217071_100011934791 [0,3,0,0,0,0|0,0,0]=3 33948 B12R0.47 CCCCOCC(C)OCCCF 7a_100011217071_100011934791 [0,3,0,0,0,0|0,0,0]=3 33949 B12R0.47 CCCCOCC(C)OCCCO 34a_100011217071_100000230001 [0,3,0,0,0,0|0,0,0]=3 33950 B12R0.47 CCCCOCC(C)OCCCO 7a_100011217071_100011215043 [0,3,0,0,0,0|0,0,0]=3 33951 B12R0.47 CCCCOCC(C)OCCOC 34a_100011217071_100011201679 [0,3,0,0,0,0|0,0,0]=3 33952 B12R0.47 CCCCOCC(C)OCCOC 7a_100011217071_100000233755 [0,3,0,0,0,0|0,0,0]=3 33953 B12R0.47 CCCCOCC(C)OCCSC 34a_100011217071_100000212216 [0,3,0,0,0,0|0,0,0]=3 33954 B12R0.47 CCCCOCC(C)OCCSC 7a_100011217071_100000212216 [0,3,0,0,0,0|0,0,0]=3 33955 B12R0.47 CCCCOCN(C)CCCCO 2230a_100000717598_100011995733 [0,3,0,0,0,0|0,0,0]=3 33956 B12R0.47 CCCCOCN(C)CCCCO 269982a_100000717598_100011995733 [0,3,0,0,0,0|0,0,0]=3 33957 B12R0.47 CCCCOCN(C)CCCOC 2230a_100000224831_100011995733 [0,3,0,0,0,0|0,0,0]=3 33958 B12R0.47 CCCCOCN(C)CCCOC 269982a_100000224831_100011995733 [0,3,0,0,0,0|0,0,0]=3 33959 B12R0.47 CCCCOC[C@@H](N)CCCCN 34a_100016993712_100000210210 [0,3,0,0,0,0|0,0,0]=3 33960 B12R0.47 CCCCSCC(=O)CCCCF 1458a_100000191162_100000729493 [0,3,0,0,0,0|0,1,0]=4 33961 B12R0.47 CCCCSCC(=O)CCCCO 1458a_100000191162_100000210776 [0,3,0,0,0,0|0,1,0]=4 33962 B12R0.47 CCCCSCC(=O)CCCOC 1458a_100000191162_100000740836 [0,3,0,0,0,0|0,1,0]=4 33963 B12R0.47 CCCCSCC(=O)CCOCC 1458a_100000191162_100011215890 [0,3,0,0,0,0|0,1,0]=4 33964 B12R0.47 CCCCSCC(=O)CCSCC 1458a_100000191162_100000757381 [0,3,0,0,0,0|0,1,0]=4 33965 B12R0.47 CCCCSCC(=O)OCCOC 62a_100000210211_200000040189 [0,3,0,0,0,0|1,0,0]=4 33966 B12R0.47 CCCCSCC(=O)OCCOC 62a_200000040189_100000210210 [0,3,0,0,0,0|1,0,0]=4 33967 B12R0.47 CCCOCC(=O)CCCCCF 1458a_100000745993_100000729378 [0,3,0,0,0,0|1,0,0]=4 33968 B12R0.47 CCCOCC(=O)CCCCCO 1458a_100000745993_100000746330 [0,3,0,0,0,0|1,0,0]=4 33969 B12R0.47 CCCOCC(=O)CCCCOC 1458a_100000745993_100000755781 [0,3,0,0,0,0|1,0,0]=4 33970 B12R0.47 CCCOCC(=O)CCCOCC 1458a_100000745993_100012232248 [0,3,0,0,0,0|1,0,0]=4 33971 B12R0.47 CCCOCC(=O)OCCOCC 34a_100000210258_200000101388 [0,3,0,0,0,0|0,0,1]=4 33972 B12R0.47 CCCOCCC(=O)CCCCO 1458a_100000695505_100011215938 [0,3,0,0,0,0|1,0,0]=4 33973 B12R0.47 CCCOCCC(=O)CCCOC 1458a_100000741012_100011215938 [0,3,0,0,0,0|1,0,0]=4 33974 B12R0.47 CCCOCCC(=O)CCCSC 1458a_100000173376_100011215938 [0,3,0,0,0,0|1,0,0]=4 33975 B12R0.47 CCCOCCC(=O)CCOCC 1458a_100000749530_100011215938 [0,3,0,0,0,0|1,0,0]=4 33976 B12R0.47 CCCOCCC(=O)CCSCC 1458a_100000230768_100011215938 [0,3,0,0,0,0|1,0,0]=4 33977 B12R0.47 CCCOCCC(=O)COCCC 1458a_100000745993_100011215938 [0,3,0,0,0,0|1,0,0]=4 33978 B12R0.47 CCCOCCC(=O)CSCCC 1458a_100000217233_100011215938 [0,3,0,0,0,0|1,0,0]=4 33979 B12R0.47 CCCOCCN(C)CCCCO 2230a_100000717598_100011215938 [0,3,0,0,0,0|1,0,0]=4 33980 B12R0.47 CCCOCCN(C)CCCCO 269982a_100000717598_100011215938 [0,3,0,0,0,0|1,0,0]=4 33981 B12R0.47 CCCOCCN(C)CCCOC 2230a_100000224831_100011215938 [0,3,0,0,0,0|1,0,0]=4 33982 B12R0.47 CCCOCCN(C)CCCOC 269982a_100000224831_100011215938 [0,3,0,0,0,0|1,0,0]=4 33983 B12R0.47 CCCSCC(=O)CCCCCF 1458a_100000217233_100000729378 [0,3,0,0,0,0|1,0,0]=4 33984 B12R0.47 CCCSCC(=O)CCCCCO 1458a_100000217233_100000746330 [0,3,0,0,0,0|1,0,0]=4 33985 B12R0.47 CCCSCC(=O)CCCCOC 1458a_100000217233_100000755781 [0,3,0,0,0,0|1,0,0]=4 33986 B12R0.47 CCCSCC(=O)CCCOCC 1458a_100000217233_100012232248 [0,3,0,0,0,0|1,0,0]=4 33987 B12R0.47 CCCSCC(=O)OCCOCC 62a_100000210303_200000101388 [0,3,0,0,0,0|0,0,1]=4 33988 B12R0.47 CCCSCC(=O)OCCOCC 62a_200000101388_100000210303 [0,3,0,0,0,0|0,0,1]=4 33989 B12R0.47 CCCSCC(C)NCCCCO 270004a_100000750430_100011343953 [0,3,0,0,0,0|1,0,0]=4 33990 B12R0.47 CCCSCC(C)NCCCOC 270004a_100150723488_100011343953 [0,3,0,0,0,0|1,0,0]=4 33991 B12R0.47 CCCSCC(C)NCCCSC 270004a_100000749238_100011343953 [0,3,0,0,0,0|1,0,0]=4 33992 B12R0.47 CCCSCC(C)NCCOCC 270004a_102516460346_100011343953 [0,3,0,0,0,0|1,0,0]=4 33993 B12R0.47 CCCSCC(C)NCCSCC 270004a_100000106463_100011343953 [0,3,0,0,0,0|1,0,0]=4 33994 B12R0.47 CCOCCC(=O)CCCCCF 1458a_100000749530_100000729378 [0,3,0,0,0,0|1,0,0]=4 33995 B12R0.47 CCOCCC(=O)CCCCCO 1458a_100000749530_100000746330 [0,3,0,0,0,0|1,0,0]=4 33996 B12R0.47 CCOCCC(=O)CCCCCO 1458a_100102619762_100011215890 [0,3,0,0,0,0|1,0,0]=4 33997 B12R0.47 CCOCCC(=O)CCCCOC 1458a_100000749530_100000755781 [0,3,0,0,0,0|1,0,0]=4 33998 B12R0.47 CCOCCC(=O)COCCOC 1458a_100000211095_100011215890 [0,3,0,0,0,0|1,0,0]=4 33999 B12R0.47 CCOCCC(C)NCCCCO 270004a_100000750430_200011216536 [0,3,0,0,0,0|1,0,0]=4 34000 B12R0.47 CCOCCC(C)NCCCOC 270004a_100150723488_200011216536 [0,3,0,0,0,0|1,0,0]=4 34001 B12R0.47 CCOCCC(C)NCCCSC 270004a_100000749238_200011216536 [0,3,0,0,0,0|1,0,0]=4 34002 B12R0.47 CCOCCC(C)NCCSCC 270004a_100000106463_200011216536 [0,3,0,0,0,0|1,0,0]=4 34003 B12R0.47 CCOCCCC(=O)CCCCO 1458a_100000695505_100012232248 [0,3,0,0,0,0|1,0,0]=4 34004 B12R0.47 CCOCCCC(=O)CCCOC 1458a_100000741012_100012232248 [0,3,0,0,0,0|1,0,0]=4 34005 B12R0.47 CCOCCCC(=O)CCCSC 1458a_100000173376_100012232248 [0,3,0,0,0,0|1,0,0]=4 34006 B12R0.47 CCOCCCC(=O)CCOCC 1458a_100000749530_100012232248 [0,3,0,0,0,0|1,0,0]=4 34007 B12R0.47 CCOCCCC(=O)CCSCC 1458a_100000230768_100012232248 [0,3,0,0,0,0|1,0,0]=4 34008 B12R0.47 CCOCCCN(C)CCCCO 2230a_100000717598_100012232248 [0,3,0,0,0,0|1,0,0]=4 34009 B12R0.47 CCOCCCN(C)CCCCO 269982a_100000717598_100012232248 [0,3,0,0,0,0|1,0,0]=4 34010 B12R0.47 CCOCCCN(C)CCCOC 2230a_100000224831_100012232248 [0,3,0,0,0,0|1,0,0]=4 34011 B12R0.47 CCOCCCN(C)CCCOC 269982a_100000224831_100012232248 [0,3,0,0,0,0|1,0,0]=4 34012 B12R0.47 CCOCCN(C)CCCCCO 2230a_100000722520_100011215890 [0,3,0,0,0,0|1,0,0]=4 34013 B12R0.47 CCOCCN(C)CCCCCO 269982a_100000722520_100011215890 [0,3,0,0,0,0|1,0,0]=4 34014 B12R0.47 CCOCCNC(C)CCCSC 270004a_102516460346_100011399439 [0,3,0,0,0,0|1,0,0]=4 34015 B12R0.47 CCOCCNC(C)CCOCC 270004a_102516460346_200011216536 [0,3,0,0,0,0|1,0,0]=4 34016 B12R0.47 CCOCCOC(C)CCCOC 34a_200011539412_100000210147 [0,3,0,0,0,0|0,0,0]=3 34017 B12R0.47 CCOCCOC(C)CCCOC 7a_200011539412_100011215890 [0,3,0,0,0,0|0,0,0]=3 34018 B12R0.47 CCSCCC(=O)CCCCCF 1458a_100000230768_100000729378 [0,3,0,0,0,0|1,0,0]=4 34019 B12R0.47 CCSCCC(=O)CCCCCO 1458a_100000230768_100000746330 [0,3,0,0,0,0|1,0,0]=4 34020 B12R0.47 CCSCCC(=O)CCCCCO 1458a_100102619762_100000757381 [0,3,0,0,0,0|1,0,0]=4 34021 B12R0.47 CCSCCC(=O)CCCCOC 1458a_100000230768_100000755781 [0,3,0,0,0,0|1,0,0]=4 34022 B12R0.47 CCSCCC(=O)COCCOC 1458a_100000211095_100000757381 [0,3,0,0,0,0|1,0,0]=4 34023 B12R0.47 CCSCCN(C)CCCCCO 2230a_100000722520_100000757381 [0,3,0,0,0,0|1,0,0]=4 34024 B12R0.47 CCSCCN(C)CCCCCO 269982a_100000722520_100000757381 [0,3,0,0,0,0|1,0,0]=4 34025 B12R0.47 CCSCCNC(C)CCCSC 270004a_100000106463_100011399439 [0,3,0,0,0,0|1,0,0]=4 34026 B12R0.47 CCSCCOC(C)CCCOC 34a_200011539412_100000757381 [0,3,0,0,0,0|0,0,0]=3 34027 B12R0.47 CCSCCOC(C)CCCOC 7a_200011539412_100000757381 [0,3,0,0,0,0|0,0,0]=3 34028 B12R0.47 CN(CCCCF)CCCCCO 2230a_100000722520_100000729493 [0,3,0,0,0,0|1,0,0]=4 34029 B12R0.47 CN(CCCCF)CCCCCO 269982a_100000722520_100000729493 [0,3,0,0,0,0|1,0,0]=4 34030 B12R0.47 CN(CCCCO)CCCCCF 2230a_100000717598_100000729378 [0,3,0,0,0,0|1,0,0]=4 34031 B12R0.47 CN(CCCCO)CCCCCF 269982a_100000717598_100000729378 [0,3,0,0,0,0|1,0,0]=4 34032 B12R0.47 CN(CCCCO)CCCCCO 2230a_100000717598_100000746330 [0,3,0,0,0,0|1,0,0]=4 34033 B12R0.47 CN(CCCCO)CCCCCO 2230a_100000722520_100000210776 [0,3,0,0,0,0|1,0,0]=4 34034 B12R0.47 CN(CCCCO)CCCCCO 269982a_100000717598_100000746330 [0,3,0,0,0,0|1,0,0]=4 34035 B12R0.47 CN(CCCCO)CCCCCO 269982a_100000722520_100000210776 [0,3,0,0,0,0|1,0,0]=4 34036 B12R0.47 COCCCC(=O)CCCCCF 1458a_100000741012_100000729378 [0,3,0,0,0,0|1,0,0]=4 34037 B12R0.47 COCCCC(=O)CCCCCO 1458a_100000741012_100000746330 [0,3,0,0,0,0|1,0,0]=4 34038 B12R0.47 COCCCC(=O)CCCCCO 1458a_100102619762_100000740836 [0,3,0,0,0,0|1,0,0]=4 34039 B12R0.47 COCCCC(=O)COCCOC 1458a_100000211095_100000740836 [0,3,0,0,0,0|1,0,0]=4 34040 B12R0.47 COCCCC(C)OCCCC#N 7a_200011539412_100000687738 [0,3,0,0,0,0|0,0,1]=4 34041 B12R0.47 COCCCC(C)OCCCC=O 7a_200011539412_200011292268 [0,3,0,0,0,0|0,0,1]=4 34042 B12R0.47 COCCCC(C)OCCCCF 34a_200011539412_100000729493 [0,3,0,0,0,0|0,0,0]=3 34043 B12R0.47 COCCCC(C)OCCCCF 7a_200011539412_100000729493 [0,3,0,0,0,0|0,0,0]=3 34044 B12R0.47 COCCCC(C)OCCCCO 34a_200011539412_100011216708 [0,3,0,0,0,0|0,0,0]=3 34045 B12R0.47 COCCCC(C)OCCCCO 7a_200011539412_100000210776 [0,3,0,0,0,0|0,0,0]=3 34046 B12R0.47 COCCCCC(=O)CCCCO 1458a_100000695505_100000755781 [0,3,0,0,0,0|1,0,0]=4 34047 B12R0.47 COCCCCC(=O)CCCOC 1458a_100000741012_100000755781 [0,3,0,0,0,0|1,0,0]=4 34048 B12R0.47 COCCCCC(=O)CCCSC 1458a_100000173376_100000755781 [0,3,0,0,0,0|1,0,0]=4 34049 B12R0.47 COCCCCN(C)CCCCO 2230a_100000717598_100000730899 [0,3,0,0,0,0|1,0,0]=4 34050 B12R0.47 COCCCCN(C)CCCCO 269982a_100000717598_100000730899 [0,3,0,0,0,0|1,0,0]=4 34051 B12R0.47 COCCCCN(C)CCCOC 2230a_100000224831_100000730899 [0,3,0,0,0,0|1,0,0]=4 34052 B12R0.47 COCCCCN(C)CCCOC 269982a_100000224831_100000730899 [0,3,0,0,0,0|1,0,0]=4 34053 B12R0.47 COCCCN(C)CCCCCF 2230a_100000224831_100000729378 [0,3,0,0,0,0|1,0,0]=4 34054 B12R0.47 COCCCN(C)CCCCCF 269982a_100000224831_100000729378 [0,3,0,0,0,0|1,0,0]=4 34055 B12R0.47 COCCCN(C)CCCCCO 2230a_100000224831_100000746330 [0,3,0,0,0,0|1,0,0]=4 34056 B12R0.47 COCCCN(C)CCCCCO 2230a_100000722520_100000740836 [0,3,0,0,0,0|1,0,0]=4 34057 B12R0.47 COCCCN(C)CCCCCO 269982a_100000224831_100000746330 [0,3,0,0,0,0|1,0,0]=4 34058 B12R0.47 COCCCN(C)CCCCCO 269982a_100000722520_100000740836 [0,3,0,0,0,0|1,0,0]=4 34059 B12R0.47 COCCCN(C)COCCOC 2230a_100000224831_100000231047 [0,3,0,0,0,0|1,0,0]=4 34060 B12R0.47 COCCCN(C)COCCOC 269982a_100000224831_100000231047 [0,3,0,0,0,0|1,0,0]=4 34061 B12R0.47 COCCCNC(C)CCCSC 270004a_100150723488_100011399439 [0,3,0,0,0,0|1,0,0]=4 34062 B12R0.47 COCCCOC(C)CCCOC 34a_200011539412_100000740836 [0,3,0,0,0,0|0,0,0]=3 34063 B12R0.47 COCCCOC(C)CCCOC 7a_200011539412_100000740836 [0,3,0,0,0,0|0,0,0]=3 34064 B12R0.47 COCCOCC(=O)CCCCF 1458a_100000211095_100000729493 [0,3,0,0,0,0|1,0,0]=4 34065 B12R0.47 COCCOCC(=O)CCCCO 1458a_100000211095_100000210776 [0,3,0,0,0,0|1,0,0]=4 34066 B12R0.47 COCCOCN(C)CCCCO 2230a_100000717598_100000231047 [0,3,0,0,0,0|1,0,0]=4 34067 B12R0.47 COCCOCN(C)CCCCO 269982a_100000717598_100000231047 [0,3,0,0,0,0|1,0,0]=4 34068 B12R0.47 COCCOC[C@@H](N)CCCCN 34a_100016993712_100011201679 [0,3,0,0,0,0|1,0,0]=4 34069 B12R0.47 CSCCCC(=O)CCCCCF 1458a_100000173376_100000729378 [0,3,0,0,0,0|1,0,0]=4 34070 B12R0.47 CSCCCC(=O)CCCCCO 1458a_100000173376_100000746330 [0,3,0,0,0,0|1,0,0]=4 34071 B12R0.47 CSCCCC(C)NCCCCO 270004a_100000750430_100011399439 [0,3,0,0,0,0|1,0,0]=4 34072 B12R0.47 CSCCCNC(C)CCCSC 270004a_100000749238_100011399439 [0,3,0,0,0,0|1,0,0]=4 34073 B12R0.47 CSCCOC[C@@H](N)CCCCN 34a_100016993712_100000212216 [0,3,0,0,0,0|1,0,0]=4 34074 B12R0.47 NCCCC[C@H](N)COCCCF 34a_100016993712_100011934791 [0,3,0,0,0,0|1,0,0]=4 34075 B12R0.47 NCCCC[C@H](N)COCCCO 34a_100016993712_100000230001 [0,3,0,0,0,0|1,0,0]=4 34076 B12R0.47 O=C(CCCCF)CCCCCO 1458a_100102619762_100000729493 [0,3,0,0,0,0|1,0,0]=4 34077 B12R0.47 O=C(CCCCO)CCCCCF 1458a_100000695505_100000729378 [0,3,0,0,0,0|1,0,0]=4 34078 B12R0.47 O=C(CCCCO)CCCCCO 1458a_100000695505_100000746330 [0,3,0,0,0,0|1,0,0]=4 34079 B12R0.47 O=C(CCCCO)CCCCCO 1458a_100102619762_100000210776 [0,3,0,0,0,0|1,0,0]=4 34080 B12R0.95 C=C(C)CCOCC(C)CCCC 34a_100011995851_100000730704 [0,3,0,0,0,0|0,0,1]=4 34081 B12R0.95 C=C(C)CCOCC(C)CCCC 7a_100011995851_100000730704 [0,3,0,0,0,0|0,0,1]=4 34082 B12R0.95 C=C(C)CCOC[C@@H](N)CCCC 34a_100011934283_100000730704 [0,3,0,0,0,0|0,0,1]=4 34083 B12R0.95 C=C(C)CCOC[C@@H](N)CCSC 34a_100011827619_100000730704 [0,3,0,0,0,0|0,0,1]=4 34084 B12R0.95 C=CCCC(C)OCCCC(C)C 34a_100000765329_100011214892 [0,3,0,0,0,0|0,0,1]=4 34085 B12R0.95 C=CCCC(C)OCCCC(C)C 7a_100000765329_100011214892 [0,3,0,0,0,0|0,0,1]=4 34086 B12R0.95 C=CCCC(C)OCCCC(C)O 34a_100000765329_200000718107 [0,3,0,0,0,0|0,0,1]=4 34087 B12R0.95 C=CCCC(C)OCCCC(C)O 7a_100000765329_200000718107 [0,3,0,0,0,0|0,0,1]=4 34088 B12R0.95 CC(=O)CCCOC(C)CCCCl 34a_200000718107_100000685027 [0,3,0,0,0,0|0,0,1]=4 34089 B12R0.95 CC(=O)CCCOC(C)CCCCl 7a_200000718107_100011215641 [0,3,0,0,0,0|0,0,1]=4 34090 B12R0.95 CC(C)CCCOC(C)CCCCl 34a_200000718107_100011214892 [0,3,0,0,0,0|0,0,0]=3 34091 B12R0.95 CC(C)CCCOC(C)CCCCl 7a_200000718107_100011214892 [0,3,0,0,0,0|0,0,0]=3 34092 B12R0.95 CC(C)CCNC[C@H](C)CCCO 2230a_100160569302_100000210312 [0,3,0,0,0,0|1,0,0]=4 34093 B12R0.95 CC(C)CCNC[C@H](C)CCCO 269862a_100160569302_100000185833 [0,3,0,0,0,0|1,0,0]=4 34094 B12R0.95 CC(C)CCNC[C@H](C)CCCO 34a_100160569302_100000210312 [0,3,0,0,0,0|1,0,0]=4 34095 B12R0.95 CC(C)OCCOC(C)CCCCl 34a_200000718107_100000211751 [0,3,0,0,0,0|1,0,0]=4 34096 B12R0.95 CC(C)OCCOC(C)CCCCl 7a_200000718107_100000211751 [0,3,0,0,0,0|1,0,0]=4 34097 B12R0.95 CC(CCCCl)OCCCN(C)C 7a_200000718107_100000757444 [0,3,0,0,0,0|1,0,0]=4 34098 B12R0.95 CC(CCCCl)OCCSC(C)C 34a_200000718107_100000730970 [0,3,0,0,0,0|1,0,0]=4 34099 B12R0.95 CC(CCCCl)OCCSC(C)C 7a_200000718107_100000730970 [0,3,0,0,0,0|1,0,0]=4 34100 B12R0.95 CC(O)CCCOC(C)CCCCl 34a_200000718107_200000718107 [0,3,0,0,0,0|0,0,0]=3 34101 B12R0.95 CC(O)CCCOC(C)CCCCl 7a_200000718107_200000718107 [0,3,0,0,0,0|0,0,0]=3 34102 B12R0.95 CC(O)CCNC[C@H](C)CCCO 2230a_100160569302_100012276601 [0,3,0,0,0,0|1,0,0]=4 34103 B12R0.95 CC(O)CCNC[C@H](C)CCCO 34a_100160569302_100012276601 [0,3,0,0,0,0|1,0,0]=4 34104 B12R0.95 CCC#CC(C)OCCCC(C)C 34a_100000033903_100011214892 [0,3,0,0,0,0|0,0,1]=4 34105 B12R0.95 CCC#CC(C)OCCCC(C)C 7a_100000033903_100011214892 [0,3,0,0,0,0|0,0,1]=4 34106 B12R0.95 CCC#CC(C)OCCCC(C)O 34a_100000033903_200000718107 [0,3,0,0,0,0|0,0,1]=4 34107 B12R0.95 CCC#CC(C)OCCCC(C)O 7a_100000033903_200000718107 [0,3,0,0,0,0|0,0,1]=4 34108 B12R0.95 CCCCC(=O)CCCCC(=O)C 1458a_100000210183_100000735457 [0,3,0,0,0,0|1,0,0]=4 34109 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100000210183_100011216152 [0,3,0,0,0,0|1,0,0]=4 34110 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100011933920_100000210211 [0,3,0,0,0,0|1,0,0]=4 34111 B12R0.95 CCCCC(=O)NCCCC(C)C 11a_200000737386_100000210183 [0,3,0,0,0,0|1,0,0]=4 34112 B12R0.95 CCCCC(=O)NCCCC(C)C 1626a_200000737386_100000210183 [0,3,0,0,0,0|1,0,0]=4 34113 B12R0.95 CCCCC(=O)NCCCC(C)C 240690a_200000737386_100000210183 [0,3,0,0,0,0|1,0,0]=4 34114 B12R0.95 CCCCC(=O)NCCCC(C)C 527a_200000737386_100000210183 [0,3,0,0,0,0|1,0,0]=4 34115 B12R0.95 CCCCC(C)COCCC(=O)C 7a_100011995851_100000053229 [0,3,0,0,0,0|0,0,1]=4 34116 B12R0.95 CCCCC(C)COCCC(C)C 34a_100011995851_100000210312 [0,3,0,0,0,0|0,0,0]=3 34117 B12R0.95 CCCCC(C)COCCC(C)C 7a_100011995851_100000210626 [0,3,0,0,0,0|0,0,0]=3 34118 B12R0.95 CCCCC(C)COCCC(C)O 34a_100011995851_100012276601 [0,3,0,0,0,0|0,0,0]=3 34119 B12R0.95 CCCCC(C)COCCC(C)O 7a_100011995851_100012276601 [0,3,0,0,0,0|0,0,0]=3 34120 B12R0.95 CCCCC(C)COCCN(C)C 7a_100011995851_100000755713 [0,3,0,0,0,0|1,0,0]=4 34121 B12R0.95 CCCCC(C)COCOC(C)C 34a_100011995851_100000709892 [0,3,0,0,0,0|1,0,0]=4 34122 B12R0.95 CCCCC(C)NCCCC(C)C 2230a_100000126638_100011214892 [0,3,0,0,0,0|1,0,0]=4 34123 B12R0.95 CCCCC(C)NCCCC(C)C 2230a_200000737386_200011215066 [0,3,0,0,0,0|1,0,0]=4 34124 B12R0.95 CCCCC(C)NCCCC(C)C 270004a_200000737386_100000210087 [0,3,0,0,0,0|1,0,0]=4 34125 B12R0.95 CCCCC(C)NCCCC(C)C 34a_200000737386_200011215066 [0,3,0,0,0,0|1,0,0]=4 34126 B12R0.95 CCCCC(C)NCCCC(C)O 2230a_100000126638_200000718107 [0,3,0,0,0,0|1,0,0]=4 34127 B12R0.95 CCCCC(C)NCCCN(C)C 270004a_102531767803_100000210087 [0,3,0,0,0,0|1,0,0]=4 34128 B12R0.95 CCCCC(C)NCCCS(=O)C 2230a_200000753449_200011215066 [0,3,0,0,0,0|1,0,0]=4 34129 B12R0.95 CCCCC(C)NCCCS(=O)C 270004a_200000753449_100000210087 [0,3,0,0,0,0|1,0,0]=4 34130 B12R0.95 CCCCC(C)NCCOC(C)C 2230a_100000126638_100000211751 [0,3,0,0,0,0|1,0,0]=4 34131 B12R0.95 CCCCC(C)NCCOC(C)C 2230a_100000701111_200011215066 [0,3,0,0,0,0|1,0,0]=4 34132 B12R0.95 CCCCC(C)NCCOC(C)C 270004a_100000701111_100000210087 [0,3,0,0,0,0|1,0,0]=4 34133 B12R0.95 CCCCC(C)NCCOC(C)C 34a_100000701111_200011215066 [0,3,0,0,0,0|1,0,0]=4 34134 B12R0.95 CCCCC(C)NCCSC(C)C 2230a_100000126638_100000730970 [0,3,0,0,0,0|1,0,0]=4 34135 B12R0.95 CCCCC(C)NCCSC(C)C 2230a_100000731138_200011215066 [0,3,0,0,0,0|1,0,0]=4 34136 B12R0.95 CCCCC(C)NCCSC(C)C 270004a_100000731138_100000210087 [0,3,0,0,0,0|1,0,0]=4 34137 B12R0.95 CCCCC(C)NCCSC(C)C 34a_100000731138_200011215066 [0,3,0,0,0,0|1,0,0]=4 34138 B12R0.95 CCCCC(C)OCCC=C(C)C 34a_100000687866_100011217483 [0,3,0,0,0,0|0,0,1]=4 34139 B12R0.95 CCCCC(C)OCCC=C(C)C 7a_100000687866_100011217483 [0,3,0,0,0,0|0,0,1]=4 34140 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000687866_100000685027 [0,3,0,0,0,0|0,0,0]=3 34141 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000759063_200011215066 [0,3,0,0,0,0|0,0,0]=3 34142 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000687866_100011215641 [0,3,0,0,0,0|0,0,0]=3 34143 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000759063_200011215066 [0,3,0,0,0,0|0,0,0]=3 34144 B12R0.95 CCCCC(C)OCCCC(=O)N 34a_100000687866_100102525003 [0,3,0,0,0,0|0,0,1]=4 34145 B12R0.95 CCCCC(C)OCCCC(=O)N 7a_100000687866_100102525003 [0,3,0,0,0,0|0,0,1]=4 34146 B12R0.95 CCCCC(C)OCCCC(C)C 34a_100000210774_200011215066 [0,3,0,0,0,0|0,0,0]=3 34147 B12R0.95 CCCCC(C)OCCCC(C)C 34a_100000687866_100011214892 [0,3,0,0,0,0|0,0,0]=3 34148 B12R0.95 CCCCC(C)OCCCC(C)C 7a_100000210774_200011215066 [0,3,0,0,0,0|0,0,0]=3 34149 B12R0.95 CCCCC(C)OCCCC(C)C 7a_100000687866_100011214892 [0,3,0,0,0,0|0,0,0]=3 34150 B12R0.95 CCCCC(C)OCCCC(C)O 34a_100000687866_200000718107 [0,3,0,0,0,0|0,0,0]=3 34151 B12R0.95 CCCCC(C)OCCCC(C)O 7a_100000687866_200000718107 [0,3,0,0,0,0|0,0,0]=3 34152 B12R0.95 CCCCC(C)OCCCN(C)C 7a_100000687866_100000757444 [0,3,0,0,0,0|0,0,0]=3 34153 B12R0.95 CCCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_200011215066 [0,3,0,0,0,0|1,0,0]=4 34154 B12R0.95 CCCCC(C)OCCNC(=O)C 34a_100000158858_200011215066 [0,3,0,0,0,0|0,0,1]=4 34155 B12R0.95 CCCCC(C)OCCNC(=O)C 7a_100000687866_100000189650 [0,3,0,0,0,0|0,0,1]=4 34156 B12R0.95 CCCCC(C)OCCNC(C)C 34a_100000224655_200011215066 [0,3,0,0,0,0|0,0,0]=3 34157 B12R0.95 CCCCC(C)OCCOC(=O)C 34a_100000687866_100009814007 [0,3,0,0,0,0|0,0,1]=4 34158 B12R0.95 CCCCC(C)OCCOC(=O)C 7a_100000687866_100009814007 [0,3,0,0,0,0|0,0,1]=4 34159 B12R0.95 CCCCC(C)OCCOC(C)C 34a_100000211219_200011215066 [0,3,0,0,0,0|0,0,0]=3 34160 B12R0.95 CCCCC(C)OCCOC(C)C 34a_100000687866_100000211751 [0,3,0,0,0,0|0,0,0]=3 34161 B12R0.95 CCCCC(C)OCCOC(C)C 7a_100000211219_200011215066 [0,3,0,0,0,0|0,0,0]=3 34162 B12R0.95 CCCCC(C)OCCOC(C)C 7a_100000687866_100000211751 [0,3,0,0,0,0|0,0,0]=3 34163 B12R0.95 CCCCC(C)OCCSC(C)C 34a_100000687866_100000730970 [0,3,0,0,0,0|0,0,0]=3 34164 B12R0.95 CCCCC(C)OCCSC(C)C 34a_200011212901_200011215066 [0,3,0,0,0,0|0,0,0]=3 34165 B12R0.95 CCCCC(C)OCCSC(C)C 7a_100000687866_100000730970 [0,3,0,0,0,0|0,0,0]=3 34166 B12R0.95 CCCCC(C)OCCSC(C)C 7a_200011212901_200011215066 [0,3,0,0,0,0|0,0,0]=3 34167 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_100011215641_200011215066 [0,3,0,0,0,0|0,1,0]=4 34168 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_200011215066_100011215641 [0,3,0,0,0,0|0,1,0]=4 34169 B12R0.95 CCCCC(C)SCCCC(C)C 62a_100011214892_200011215066 [0,3,0,0,0,0|0,1,0]=4 34170 B12R0.95 CCCCC(C)SCCCC(C)C 62a_200011215066_100011214892 [0,3,0,0,0,0|0,1,0]=4 34171 B12R0.95 CCCCC(C)SCCCC(C)O 62a_200000718107_200011215066 [0,3,0,0,0,0|0,1,0]=4 34172 B12R0.95 CCCCC(C)SCCCC(C)O 62a_200011215066_200000718107 [0,3,0,0,0,0|0,1,0]=4 34173 B12R0.95 CCCCC(C)SCCCN(C)C 62a_200011215066_100000757444 [0,3,0,0,0,0|0,1,0]=4 34174 B12R0.95 CCCCC(C)SCCOC(C)C 62a_100000211751_200011215066 [0,3,0,0,0,0|0,1,0]=4 34175 B12R0.95 CCCCC(C)SCCOC(C)C 62a_200011215066_100000211751 [0,3,0,0,0,0|0,1,0]=4 34176 B12R0.95 CCCCC(C)SCCSC(C)C 62a_100000730970_200011215066 [0,3,0,0,0,0|0,1,0]=4 34177 B12R0.95 CCCCC(C)SCCSC(C)C 62a_200011215066_100000730970 [0,3,0,0,0,0|0,1,0]=4 34178 B12R0.95 CCCCN(C)CCCCC(=O)C 269982a_100000207549_100000735457 [0,3,0,0,0,0|1,0,0]=4 34179 B12R0.95 CCCCN(C)CCCCC(C)C 2230a_100000207549_100011216152 [0,3,0,0,0,0|1,0,0]=4 34180 B12R0.95 CCCCN(C)CCCCC(C)C 269982a_100000207549_100011216152 [0,3,0,0,0,0|1,0,0]=4 34181 B12R0.95 CCCCN(C)CCCCN(C)C 269982a_100000207549_100000690147 [0,3,0,0,0,0|1,0,0]=4 34182 B12R0.95 CCCCN(C)CCNCC(C)C 270004a_200000754967_100000210432 [0,3,0,0,0,0|1,0,0]=4 34183 B12R0.95 CCCC[C@H](N)COCCC(C)C 34a_100011934283_100000210312 [0,3,0,0,0,0|0,0,0]=3 34184 B12R0.95 CCCC[C@H](N)COCCC(C)O 34a_100011934283_100012276601 [0,3,0,0,0,0|0,0,0]=3 34185 B12R0.95 CCCC[C@H](N)COCOC(C)C 34a_100011934283_100000709892 [0,3,0,0,0,0|1,0,0]=4 34186 B12R0.95 CCCNC(=O)COCCC(C)Br 34a_100009893172_100000183358 [0,3,0,0,0,0|0,0,1]=4 34187 B12R0.95 CCCNC(=O)COCCC(C)C 34a_100000210254_100000183358 [0,3,0,0,0,0|0,0,1]=4 34188 B12R0.95 CCCNC(=O)COCCC(C)C 7a_100000210254_100000183358 [0,3,0,0,0,0|0,0,1]=4 34189 B12R0.95 CCCNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183358 [0,3,0,0,0,0|0,0,1]=4 34190 B12R0.95 CCCOC(=O)COCCC(C)Br 34a_100009893172_200011215008 [0,3,0,0,0,0|0,0,1]=4 34191 B12R0.95 CCCOC(=O)COCCC(C)C 34a_100000210254_200011215008 [0,3,0,0,0,0|0,0,1]=4 34192 B12R0.95 CCCOC(=O)COCCC(C)C 7a_100000210254_200011215008 [0,3,0,0,0,0|0,0,1]=4 34193 B12R0.95 CCCOC(=O)COCC[C@@H](C)N 34a_100000706166_200011215008 [0,3,0,0,0,0|0,0,1]=4 34194 B12R0.95 CCCOC(C)CNCCC(C)C 2230a_100015185124_100000210312 [0,3,0,0,0,0|1,0,0]=4 34195 B12R0.95 CCCOC(C)CNCCC(C)C 269862a_100015185124_100000185833 [0,3,0,0,0,0|1,0,0]=4 34196 B12R0.95 CCCOC(C)CNCCC(C)C 34a_100015185124_100000210312 [0,3,0,0,0,0|1,0,0]=4 34197 B12R0.95 CCCOC(C)CNCCC(C)O 2230a_100015185124_100012276601 [0,3,0,0,0,0|1,0,0]=4 34198 B12R0.95 CCCOC(C)CNCCC(C)O 34a_100015185124_100012276601 [0,3,0,0,0,0|1,0,0]=4 34199 B12R0.95 CCOCC(C)OCCCC(=O)C 34a_100000718985_100000685027 [0,3,0,0,0,0|0,0,1]=4 34200 B12R0.95 CCOCC(C)OCCCC(=O)C 7a_100000718985_100011215641 [0,3,0,0,0,0|0,0,1]=4 34201 B12R0.95 CCOCC(C)OCCCC(C)C 34a_100000718985_100011214892 [0,3,0,0,0,0|0,0,0]=3 34202 B12R0.95 CCOCC(C)OCCCC(C)C 7a_100000718985_100011214892 [0,3,0,0,0,0|0,0,0]=3 34203 B12R0.95 CCOCC(C)OCCCC(C)O 34a_100000718985_200000718107 [0,3,0,0,0,0|0,0,0]=3 34204 B12R0.95 CCOCC(C)OCCCC(C)O 7a_100000718985_200000718107 [0,3,0,0,0,0|0,0,0]=3 34205 B12R0.95 CCOCC(C)OCCCN(C)C 7a_100000718985_100000757444 [0,3,0,0,0,0|1,0,0]=4 34206 B12R0.95 CCOCC(C)OCCOC(C)C 34a_100000718985_100000211751 [0,3,0,0,0,0|1,0,0]=4 34207 B12R0.95 CCOCC(C)OCCOC(C)C 7a_100000718985_100000211751 [0,3,0,0,0,0|1,0,0]=4 34208 B12R0.95 CCOCC(C)OCCSC(C)C 34a_100000718985_100000730970 [0,3,0,0,0,0|1,0,0]=4 34209 B12R0.95 CCOCC(C)OCCSC(C)C 7a_100000718985_100000730970 [0,3,0,0,0,0|1,0,0]=4 34210 B12R0.95 CCOCC(O)CNCCC(C)C 2230a_102515437182_100000210312 [0,3,0,0,0,0|1,0,0]=4 34211 B12R0.95 CCOCC(O)CNCCC(C)C 269862a_102515437182_100000185833 [0,3,0,0,0,0|1,0,0]=4 34212 B12R0.95 CCOCC(O)CNCCC(C)C 34a_102515437182_100000210312 [0,3,0,0,0,0|1,0,0]=4 34213 B12R0.95 CCOCC(O)CNCCC(C)O 2230a_102515437182_100012276601 [0,3,0,0,0,0|1,0,0]=4 34214 B12R0.95 CCOCC(O)CNCCC(C)O 34a_102515437182_100012276601 [0,3,0,0,0,0|1,0,0]=4 34215 B12R0.95 CCSCC(C)NCCCC(C)C 270004a_200000737386_200011216171 [0,3,0,0,0,0|1,0,0]=4 34216 B12R0.95 COCCC(C)NCCCC(C)C 270004a_200000737386_100000742357 [0,3,0,0,0,0|1,0,0]=4 34217 B12R0.95 COCO[C@H](C)COCCC(C)C 34a_100016172286_100000210312 [0,3,0,0,0,0|1,0,0]=4 34218 B12R0.95 COCO[C@H](C)COCCC(C)C 7a_100016172286_100000210626 [0,3,0,0,0,0|1,0,0]=4 34219 B12R0.95 COCO[C@H](C)COCCC(C)O 34a_100016172286_100012276601 [0,3,0,0,0,0|1,0,0]=4 34220 B12R0.95 COCO[C@H](C)COCCC(C)O 7a_100016172286_100012276601 [0,3,0,0,0,0|1,0,0]=4 34221 B12R0.95 CSCCC(C)NCCCC(C)C 270004a_200000737386_100011217047 [0,3,0,0,0,0|1,0,0]=4 34222 B12R0.95 CSCC[C@H](N)COCCC(C)C 34a_100011827619_100000210312 [0,3,0,0,0,0|0,0,0]=3 34223 B12R0.95 CSCC[C@H](N)COCCC(C)O 34a_100011827619_100012276601 [0,3,0,0,0,0|0,0,0]=3 34224 B12R0.95 CSCC[C@H](N)COCOC(C)C 34a_100011827619_100000709892 [0,3,0,0,0,0|1,0,0]=4 34225 B12R0.102 CCC(C)CCNC(C)CCOC 270004a_100020591266_100000742357 [0,3,0,0,0,0|1,0,0]=4 34226 B12R0.102 CCC(C)CCNC(C)CCSC 270004a_100020591266_100011217047 [0,3,0,0,0,0|1,0,0]=4 34227 B12R0.102 CCC(C)CNC[C@H](C)CCCO 2230a_100160569302_100000748023 [0,3,0,0,0,0|1,0,0]=4 34228 B12R0.102 CCC(C)CNC[C@H](C)CCCO 270004a_100160569302_100000243153 [0,3,0,0,0,0|1,0,0]=4 34229 B12R0.102 CCC(C)CNC[C@H](C)CCCO 34a_100160569302_100000748023 [0,3,0,0,0,0|1,0,0]=4 34230 B12R0.102 CCC(C)COC[C@@H](C)OCOC 34a_100016172286_100000748023 [0,3,0,0,0,0|1,0,0]=4 34231 B12R0.102 CCC(C)COC[C@@H](C)OCOC 7a_100016172286_100000748023 [0,3,0,0,0,0|1,0,0]=4 34232 B12R0.102 CCC(C)COC[C@@H](N)CCSC 34a_100011827619_100000748023 [0,3,0,0,0,0|0,0,0]=3 34233 B12R0.102 CCC(O)CNC[C@H](C)CCCO 2230a_100160569302_100011218378 [0,3,0,0,0,0|1,0,0]=4 34234 B12R0.102 CCC(O)CNC[C@H](C)CCCO 34a_100160569302_100011218378 [0,3,0,0,0,0|1,0,0]=4 34235 B12R0.102 CCC(O)COC[C@@H](C)OCOC 34a_100016172286_100011218378 [0,3,0,0,0,0|1,0,0]=4 34236 B12R0.102 CCC(O)COC[C@@H](C)OCOC 7a_100016172286_100011218378 [0,3,0,0,0,0|1,0,0]=4 34237 B12R0.102 CCC(O)COC[C@@H](N)CCSC 34a_100011827619_100011218378 [0,3,0,0,0,0|0,0,0]=3 34238 B12R0.102 CCCCC(=O)CCCN(C)CC 1458a_100000210183_100015186262 [0,3,0,0,0,0|1,0,0]=4 34239 B12R0.102 CCCCC(=O)NCCC(C)CC 11a_100020591266_100000210183 [0,3,0,0,0,0|1,0,0]=4 34240 B12R0.102 CCCCC(=O)NCCC(C)CC 1626a_100020591266_100000210183 [0,3,0,0,0,0|1,0,0]=4 34241 B12R0.102 CCCCC(=O)NCCC(C)CC 240690a_100020591266_100000210183 [0,3,0,0,0,0|1,0,0]=4 34242 B12R0.102 CCCCC(=O)NCCC(C)CC 527a_100020591266_100000210183 [0,3,0,0,0,0|1,0,0]=4 34243 B12R0.102 CCCCC(C)COCC(=O)CC 7a_100011995851_100000747405 [0,3,0,0,0,0|0,0,1]=4 34244 B12R0.102 CCCCC(C)COCC(C)CC 34a_100011995851_100000748023 [0,3,0,0,0,0|0,0,0]=3 34245 B12R0.102 CCCCC(C)COCC(C)CC 7a_100011995851_100000748023 [0,3,0,0,0,0|0,0,0]=3 34246 B12R0.102 CCCCC(C)COCC(O)CC 34a_100011995851_100011218378 [0,3,0,0,0,0|0,0,0]=3 34247 B12R0.102 CCCCC(C)COCC(O)CC 7a_100011995851_100011218378 [0,3,0,0,0,0|0,0,0]=3 34248 B12R0.102 CCCCC(C)COCC(O)CO 34a_100011995851_100011219619 [0,3,0,0,0,0|1,0,0]=4 34249 B12R0.102 CCCCC(C)COCC(O)CO 7a_100011995851_100011219619 [0,3,0,0,0,0|1,0,0]=4 34250 B12R0.102 CCCCC(C)COC[C@@H](C)CC 34a_100011995851_100009816398 [0,3,0,0,0,0|0,0,0]=3 34251 B12R0.102 CCCCC(C)COC[C@@H](C)CC 7a_100011995851_100009816398 [0,3,0,0,0,0|0,0,0]=3 34252 B12R0.102 CCCCC(C)COC[C@@H](C)CO 34a_100011995851_100000059175 [0,3,0,0,0,0|1,0,0]=4 34253 B12R0.102 CCCCC(C)COC[C@@H](C)CO 7a_100011995851_100000059175 [0,3,0,0,0,0|1,0,0]=4 34254 B12R0.102 CCCCC(C)COC[C@@H](O)CF 34a_100011995851_100015614560 [0,3,0,0,0,0|1,0,0]=4 34255 B12R0.102 CCCCC(C)COC[C@@H](O)CF 7a_100011995851_100015614560 [0,3,0,0,0,0|1,0,0]=4 34256 B12R0.102 CCCCC(C)COC[C@@H](O)CO 34a_100011995851_100009815848 [0,3,0,0,0,0|1,0,0]=4 34257 B12R0.102 CCCCC(C)COC[C@@H](O)CO 7a_100011995851_100009815848 [0,3,0,0,0,0|1,0,0]=4 34258 B12R0.102 CCCCC(C)NCCC(C)CC 2230a_100020591266_200011215066 [0,3,0,0,0,0|1,0,0]=4 34259 B12R0.102 CCCCC(C)NCCC(C)CC 270004a_100020591266_100000210087 [0,3,0,0,0,0|1,0,0]=4 34260 B12R0.102 CCCCC(C)NCCC(C)CO 2230a_106354213184_200011215066 [0,3,0,0,0,0|1,0,0]=4 34261 B12R0.102 CCCCC(C)NCCC(C)CO 270004a_106354213184_100000210087 [0,3,0,0,0,0|1,0,0]=4 34262 B12R0.102 CCCCC(C)NCCC(C)CO 34a_106354213184_200011215066 [0,3,0,0,0,0|1,0,0]=4 34263 B12R0.102 CCCCC(C)OCCC(=O)NC 34a_100000687866_100012179268 [0,3,0,0,0,0|0,0,1]=4 34264 B12R0.102 CCCCC(C)OCCC(=O)NC 34a_100000754576_200011215066 [0,3,0,0,0,0|0,0,1]=4 34265 B12R0.102 CCCCC(C)OCCC(=O)NC 7a_100000687866_100000737683 [0,3,0,0,0,0|0,0,1]=4 34266 B12R0.102 CCCCC(C)OCCC(=O)OC 34a_100000687866_100000742370 [0,3,0,0,0,0|0,0,1]=4 34267 B12R0.102 CCCCC(C)OCCC(=O)OC 7a_100000687866_100000204255 [0,3,0,0,0,0|0,0,1]=4 34268 B12R0.102 CCCCC(C)OCCC(C)CC 7a_100011215188_200011215066 [0,3,0,0,0,0|0,0,0]=3 34269 B12R0.102 CCCCC(C)OCCC(C)OC 7a_100000764861_200011215066 [0,3,0,0,0,0|0,0,0]=3 34270 B12R0.102 CCCCN(C)CCCN(C)CC 2230a_100000207549_100015186262 [0,3,0,0,0,0|1,0,0]=4 34271 B12R0.102 CCCCN(C)CCCN(C)CC 269982a_100000207549_100015186262 [0,3,0,0,0,0|1,0,0]=4 34272 B12R0.102 CCCC[C@H](N)COCC(C)CC 34a_100011934283_100000748023 [0,3,0,0,0,0|0,0,0]=3 34273 B12R0.102 CCCC[C@H](N)COCC(O)CC 34a_100011934283_100011218378 [0,3,0,0,0,0|0,0,0]=3 34274 B12R0.102 CCCC[C@H](N)COCC(O)CO 34a_100011934283_100011219619 [0,3,0,0,0,0|1,0,0]=4 34275 B12R0.102 CCCC[C@H](N)COC[C@@H](C)CC 34a_100011934283_100009816398 [0,3,0,0,0,0|0,0,0]=3 34276 B12R0.102 CCCC[C@H](N)COC[C@@H](C)CO 34a_100011934283_100000059175 [0,3,0,0,0,0|1,0,0]=4 34277 B12R0.102 CCCC[C@H](N)COC[C@@H](O)CF 34a_100011934283_100015614560 [0,3,0,0,0,0|1,0,0]=4 34278 B12R0.102 CCCC[C@H](N)COC[C@@H](O)CO 34a_100011934283_100009815848 [0,3,0,0,0,0|1,0,0]=4 34279 B12R0.102 CCCNC(=O)COC[C@@H](C)CC 7a_100009816381_100000183358 [0,3,0,0,0,0|0,0,1]=4 34280 B12R0.102 CCCOC(=O)COC[C@@H](C)CC 7a_100009816381_200011215008 [0,3,0,0,0,0|0,0,1]=4 34281 B12R0.102 CCCOC(C)CNCC(C)CC 2230a_100015185124_100000748023 [0,3,0,0,0,0|1,0,0]=4 34282 B12R0.102 CCCOC(C)CNCC(C)CC 270004a_100015185124_100000243153 [0,3,0,0,0,0|1,0,0]=4 34283 B12R0.102 CCCOC(C)CNCC(C)CC 34a_100015185124_100000748023 [0,3,0,0,0,0|1,0,0]=4 34284 B12R0.102 CCCOC(C)CNCC(O)CC 2230a_100015185124_100011218378 [0,3,0,0,0,0|1,0,0]=4 34285 B12R0.102 CCCOC(C)CNCC(O)CC 34a_100015185124_100011218378 [0,3,0,0,0,0|1,0,0]=4 34286 B12R0.102 CCCOC(C)CNC[C@@H](C)CC 2230a_100015185124_100009816398 [0,3,0,0,0,0|1,0,0]=4 34287 B12R0.102 CCCOC(C)CNC[C@@H](C)CC 34a_100015185124_100009816398 [0,3,0,0,0,0|1,0,0]=4 34288 B12R0.102 CCOCC(O)CNCC(C)CC 2230a_102515437182_100000748023 [0,3,0,0,0,0|1,0,0]=4 34289 B12R0.102 CCOCC(O)CNCC(C)CC 270004a_102515437182_100000243153 [0,3,0,0,0,0|1,0,0]=4 34290 B12R0.102 CCOCC(O)CNCC(C)CC 34a_102515437182_100000748023 [0,3,0,0,0,0|1,0,0]=4 34291 B12R0.102 CCOCC(O)CNCC(O)CC 2230a_102515437182_100011218378 [0,3,0,0,0,0|1,0,0]=4 34292 B12R0.102 CCOCC(O)CNCC(O)CC 34a_102515437182_100011218378 [0,3,0,0,0,0|1,0,0]=4 34293 B12R0.102 CCOCC(O)CNC[C@@H](C)CC 2230a_102515437182_100009816398 [0,3,0,0,0,0|1,0,0]=4 34294 B12R0.102 CCOCC(O)CNC[C@@H](C)CC 34a_102515437182_100009816398 [0,3,0,0,0,0|1,0,0]=4 34295 B12R0.102 CCSCC(C)NCCC(C)CC 270004a_100020591266_200011216171 [0,3,0,0,0,0|1,0,0]=4 34296 B12R0.102 CC[C@H](C)CNC[C@H](C)CCCO 2230a_100160569302_100009816398 [0,3,0,0,0,0|1,0,0]=4 34297 B12R0.102 CC[C@H](C)CNC[C@H](C)CCCO 34a_100160569302_100009816398 [0,3,0,0,0,0|1,0,0]=4 34298 B12R0.102 CC[C@H](C)COC[C@@H](C)OCOC 34a_100016172286_100009816398 [0,3,0,0,0,0|1,0,0]=4 34299 B12R0.102 CC[C@H](C)COC[C@@H](C)OCOC 7a_100016172286_100009816398 [0,3,0,0,0,0|1,0,0]=4 34300 B12R0.102 CC[C@H](C)COC[C@@H](N)CCSC 34a_100011827619_100009816398 [0,3,0,0,0,0|0,0,0]=3 34301 B12R0.102 CSCC[C@H](N)COCC(O)CO 34a_100011827619_100011219619 [0,3,0,0,0,0|1,0,0]=4 34302 B12R0.102 CSCC[C@H](N)COC[C@@H](C)CO 34a_100011827619_100000059175 [0,3,0,0,0,0|1,0,0]=4 34303 B12R0.102 CSCC[C@H](N)COC[C@@H](O)CF 34a_100011827619_100015614560 [0,3,0,0,0,0|1,0,0]=4 34304 B12R0.102 CSCC[C@H](N)COC[C@@H](O)CO 34a_100011827619_100009815848 [0,3,0,0,0,0|1,0,0]=4 34305 B12R0.111 C#CC(CCCC)OC/C=C\CC 34a_200011217967_100103147603 [0,3,0,0,0,0|0,0,1]=4 34306 B12R0.111 C#CC(CCCC)OC/C=C\CC 7a_200011217967_100103147603 [0,3,0,0,0,0|0,0,1]=4 34307 B12R0.111 C#CC(CCCC)OCC#CCC 34a_200011217967_100009813939 [0,3,0,0,0,0|0,0,1]=4 34308 B12R0.111 C#CC(CCCC)OCC#CCC 7a_200011217967_100009813939 [0,3,0,0,0,0|0,0,1]=4 34309 B12R0.111 C#CC(CCCC)OCCCC#N 7a_200011217967_100000687738 [0,3,0,0,0,0|0,0,1]=4 34310 B12R0.111 C#CC(CCCC)OCCCC=C 34a_200011217967_100000757094 [0,3,0,0,0,0|0,0,1]=4 34311 B12R0.111 C#CC(CCCC)OCCCC=C 7a_200011217967_100000757094 [0,3,0,0,0,0|0,0,1]=4 34312 B12R0.111 C#CC(CCCC)OCCCC=O 7a_200011217967_200011292268 [0,3,0,0,0,0|0,0,1]=4 34313 B12R0.111 C#CC(CCCC)OCCCCC 34a_200011217967_100000718602 [0,3,0,0,0,0|0,0,0]=3 34314 B12R0.111 C#CC(CCCC)OCCCCC 7a_200011217967_100000210326 [0,3,0,0,0,0|0,0,0]=3 34315 B12R0.111 C#CC(CCCC)OCCCCF 34a_200011217967_100000729493 [0,3,0,0,0,0|0,0,0]=3 34316 B12R0.111 C#CC(CCCC)OCCCCF 7a_200011217967_100000729493 [0,3,0,0,0,0|0,0,0]=3 34317 B12R0.111 C#CC(CCCC)OCCCCO 34a_200011217967_100011216708 [0,3,0,0,0,0|0,0,0]=3 34318 B12R0.111 C#CC(CCCC)OCCCCO 7a_200011217967_100000210776 [0,3,0,0,0,0|0,0,0]=3 34319 B12R0.111 C#CC(CCCC)OCCCOC 34a_200011217967_100000740836 [0,3,0,0,0,0|0,0,0]=3 34320 B12R0.111 C#CC(CCCC)OCCCOC 7a_200011217967_100000740836 [0,3,0,0,0,0|0,0,0]=3 34321 B12R0.111 C#CC(CCCC)OCCOCC 34a_200011217967_100000210147 [0,3,0,0,0,0|0,0,0]=3 34322 B12R0.111 C#CC(CCCC)OCCOCC 7a_200011217967_100011215890 [0,3,0,0,0,0|0,0,0]=3 34323 B12R0.111 C#CC(CCCC)OCCSCC 34a_200011217967_100000757381 [0,3,0,0,0,0|0,0,0]=3 34324 B12R0.111 C#CC(CCCC)OCCSCC 7a_200011217967_100000757381 [0,3,0,0,0,0|0,0,0]=3 34325 B12R0.111 C#CCCCOC(C#C)CCCC 34a_200011217967_100000695029 [0,3,0,0,0,0|0,0,1]=4 34326 B12R0.111 C#CCCCOC(C#C)CCCC 7a_200011217967_100011215417 [0,3,0,0,0,0|0,0,1]=4 34327 B12R0.111 C#CCCCOC(C=C)CCCC 34a_200011215037_100000695029 [0,3,0,0,0,0|0,0,1]=4 34328 B12R0.111 C#CCCCOC(C=C)CCCC 7a_200011215037_100011215417 [0,3,0,0,0,0|0,0,1]=4 34329 B12R0.111 C#CCCCOC(CC)CCCC 34a_100000215630_200011216223 [0,3,0,0,0,0|0,0,1]=4 34330 B12R0.111 C#CCCCOC(CC)CCCC 34a_100011215227_100000695029 [0,3,0,0,0,0|0,0,1]=4 34331 B12R0.111 C#CCCCOC(CC)CCCC 7a_100000215630_200011216223 [0,3,0,0,0,0|0,0,1]=4 34332 B12R0.111 C#CCCCOC(CC)CCCC 7a_100011215227_100011215417 [0,3,0,0,0,0|0,0,1]=4 34333 B12R0.111 C/C=C/CCOC(CC)CCCC 34a_100016278192_200011216223 [0,3,0,0,0,0|0,0,1]=4 34334 B12R0.111 C=CC(CCCC)OC/C=C\CC 34a_200011215037_100103147603 [0,3,0,0,0,0|0,0,1]=4 34335 B12R0.111 C=CC(CCCC)OC/C=C\CC 7a_200011215037_100103147603 [0,3,0,0,0,0|0,0,1]=4 34336 B12R0.111 C=CC(CCCC)OCC#CCC 34a_200011215037_100009813939 [0,3,0,0,0,0|0,0,1]=4 34337 B12R0.111 C=CC(CCCC)OCC#CCC 7a_200011215037_100009813939 [0,3,0,0,0,0|0,0,1]=4 34338 B12R0.111 C=CC(CCCC)OCCCC#N 7a_200011215037_100000687738 [0,3,0,0,0,0|0,0,1]=4 34339 B12R0.111 C=CC(CCCC)OCCCC=O 7a_200011215037_200011292268 [0,3,0,0,0,0|0,0,1]=4 34340 B12R0.111 C=CC(CCCC)OCCCCC 34a_200011215037_100000718602 [0,3,0,0,0,0|0,0,0]=3 34341 B12R0.111 C=CC(CCCC)OCCCCC 7a_200011215037_100000210326 [0,3,0,0,0,0|0,0,0]=3 34342 B12R0.111 C=CC(CCCC)OCCCCF 34a_200011215037_100000729493 [0,3,0,0,0,0|0,0,0]=3 34343 B12R0.111 C=CC(CCCC)OCCCCF 7a_200011215037_100000729493 [0,3,0,0,0,0|0,0,0]=3 34344 B12R0.111 C=CC(CCCC)OCCCCO 34a_200011215037_100011216708 [0,3,0,0,0,0|0,0,0]=3 34345 B12R0.111 C=CC(CCCC)OCCCCO 7a_200011215037_100000210776 [0,3,0,0,0,0|0,0,0]=3 34346 B12R0.111 C=CC(CCCC)OCCCOC 34a_200011215037_100000740836 [0,3,0,0,0,0|0,0,0]=3 34347 B12R0.111 C=CC(CCCC)OCCCOC 7a_200011215037_100000740836 [0,3,0,0,0,0|0,0,0]=3 34348 B12R0.111 C=CC(CCCC)OCCOCC 34a_200011215037_100000210147 [0,3,0,0,0,0|0,0,0]=3 34349 B12R0.111 C=CC(CCCC)OCCOCC 7a_200011215037_100011215890 [0,3,0,0,0,0|0,0,0]=3 34350 B12R0.111 C=CC(CCCC)OCCSCC 34a_200011215037_100000757381 [0,3,0,0,0,0|0,0,0]=3 34351 B12R0.111 C=CC(CCCC)OCCSCC 7a_200011215037_100000757381 [0,3,0,0,0,0|0,0,0]=3 34352 B12R0.111 C=CC(CCCCCC)OCCC 34a_200011215977_100000210303 [0,3,0,0,0,0|1,0,0]=4 34353 B12R0.111 C=CC(CCCCCC)OCCC 7a_200011215977_100000210303 [0,3,0,0,0,0|1,0,0]=4 34354 B12R0.111 C=CCCCOC(C=C)CCCC 34a_200011215037_100000757094 [0,3,0,0,0,0|0,0,1]=4 34355 B12R0.111 C=CCCCOC(C=C)CCCC 7a_200011215037_100000757094 [0,3,0,0,0,0|0,0,1]=4 34356 B12R0.111 C=CCCCOC(CC)CCCC 34a_100000758997_200011216223 [0,3,0,0,0,0|0,0,1]=4 34357 B12R0.111 C=CCCCOC(CC)CCCC 34a_100011215227_100000757094 [0,3,0,0,0,0|0,0,1]=4 34358 B12R0.111 C=CCCCOC(CC)CCCC 7a_100000758997_200011216223 [0,3,0,0,0,0|0,0,1]=4 34359 B12R0.111 C=CCCCOC(CC)CCCC 7a_100011215227_100000757094 [0,3,0,0,0,0|0,0,1]=4 34360 B12R0.111 CC#CCCOC(CC)CCCC 34a_100000750427_200011216223 [0,3,0,0,0,0|0,0,1]=4 34361 B12R0.111 CC/C=C\COC(CC)CCCC 34a_100011215227_100103147603 [0,3,0,0,0,0|0,0,1]=4 34362 B12R0.111 CC/C=C\COC(CC)CCCC 34a_100016268518_200011216223 [0,3,0,0,0,0|0,0,1]=4 34363 B12R0.111 CC/C=C\COC(CC)CCCC 7a_100011215227_100103147603 [0,3,0,0,0,0|0,0,1]=4 34364 B12R0.111 CCC#CCOC(CC)CCCC 34a_100000032950_200011216223 [0,3,0,0,0,0|0,0,1]=4 34365 B12R0.111 CCC#CCOC(CC)CCCC 34a_100011215227_100009813939 [0,3,0,0,0,0|0,0,1]=4 34366 B12R0.111 CCC#CCOC(CC)CCCC 7a_100011215227_100009813939 [0,3,0,0,0,0|0,0,1]=4 34367 B12R0.111 CCC/C=C(\CC)/COCCCC 34a_200015372368_100000210210 [0,3,0,0,0,0|0,0,1]=4 34368 B12R0.111 CCC/C=C(\CC)/COCCCC 7a_200015372368_100000210211 [0,3,0,0,0,0|0,0,1]=4 34369 B12R0.111 CCCCC(CC)CCCCNC 2230a_106832991635_200012094884 [0,3,0,0,0,0|1,0,0]=4 34370 B12R0.111 CCCCC(CC)CCCCNC 34a_100102657272_200012094884 [0,3,0,0,0,0|1,0,0]=4 34371 B12R0.111 CCCCC(CC)CCCCNC 7a_106832991635_200012094884 [0,3,0,0,0,0|1,0,0]=4 34372 B12R0.111 CCCCC(CC)CCCCOC 34a_100138415774_200012094884 [0,3,0,0,0,0|1,0,0]=4 34373 B12R0.111 CCCCC(CC)CCCCSC 62a_200000210301_200012094884 [0,3,0,0,0,0|1,0,0]=4 34374 B12R0.111 CCCCC(CC)CCCCSC 62a_200012094884_200000210301 [0,3,0,0,0,0|1,0,0]=4 34375 B12R0.111 CCCCC(CC)CCCCS[13CH3] 62a_200012094884_200025704644 [0,3,0,0,0,0|1,0,0]=4 34376 B12R0.111 CCCCC(CC)CCCCS[13CH3] 62a_200025704644_200012094884 [0,3,0,0,0,0|1,0,0]=4 34377 B12R0.111 CCCCC(CC)COCCCBr 34a_100011217188_100000211942 [0,3,0,0,0,0|1,0,0]=4 34378 B12R0.111 CCCCC(CC)COCCCCl 34a_100000230001_100000211942 [0,3,0,0,0,0|1,0,0]=4 34379 B12R0.111 CCCCC(CC)COCCCF 34a_100000210273_100011934791 [0,3,0,0,0,0|1,0,0]=4 34380 B12R0.111 CCCCC(CC)COCCCF 34a_100000759539_100000211942 [0,3,0,0,0,0|1,0,0]=4 34381 B12R0.111 CCCCC(CC)COCCCF 7a_100000210273_100011934791 [0,3,0,0,0,0|1,0,0]=4 34382 B12R0.111 CCCCC(CC)COCCCN 34a_100000182051_100000211942 [0,3,0,0,0,0|1,0,0]=4 34383 B12R0.111 CCCCC(CC)COCCCO 34a_100000210273_100000230001 [0,3,0,0,0,0|1,0,0]=4 34384 B12R0.111 CCCCC(CC)COCCCO 7a_100000210273_100011215043 [0,3,0,0,0,0|1,0,0]=4 34385 B12R0.111 CCCCC(CC)COCCOC 34a_100000210237_100000211942 [0,3,0,0,0,0|1,0,0]=4 34386 B12R0.111 CCCCC(CC)COCCOC 34a_100000210273_100011201679 [0,3,0,0,0,0|1,0,0]=4 34387 B12R0.111 CCCCC(CC)COCCOC 7a_100000210273_100000233755 [0,3,0,0,0,0|1,0,0]=4 34388 B12R0.111 CCCCC(CC)COCCSC 34a_100000210273_100000212216 [0,3,0,0,0,0|1,0,0]=4 34389 B12R0.111 CCCCC(CC)COCCSC 34a_100000230434_100000211942 [0,3,0,0,0,0|1,0,0]=4 34390 B12R0.111 CCCCC(CC)COCCSC 7a_100000210273_100000212216 [0,3,0,0,0,0|1,0,0]=4 34391 B12R0.111 CCCCC(CC)COCCSC 7a_100000230434_100000211942 [0,3,0,0,0,0|1,0,0]=4 34392 B12R0.111 CCCCC(CC)NCCCCO 270004a_100000750430_100000753412 [0,3,0,0,0,0|1,0,0]=4 34393 B12R0.111 CCCCC(CC)NCCCCO 34a_100000750430_200011216223 [0,3,0,0,0,0|1,0,0]=4 34394 B12R0.111 CCCCC(CC)NCCCOC 270004a_100150723488_100000753412 [0,3,0,0,0,0|1,0,0]=4 34395 B12R0.111 CCCCC(CC)NCCCOC 34a_100150723488_200011216223 [0,3,0,0,0,0|1,0,0]=4 34396 B12R0.111 CCCCC(CC)NCCCSC 270004a_100000749238_100000753412 [0,3,0,0,0,0|1,0,0]=4 34397 B12R0.111 CCCCC(CC)NCCOCC 270004a_102516460346_100000753412 [0,3,0,0,0,0|1,0,0]=4 34398 B12R0.111 CCCCC(CC)NCCOCC 34a_102516460346_200011216223 [0,3,0,0,0,0|1,0,0]=4 34399 B12R0.111 CCCCC(CC)NCCSCC 270004a_100000106463_100000753412 [0,3,0,0,0,0|1,0,0]=4 34400 B12R0.111 CCCCC(CC)OCCCC#N 7a_100011215227_100000687738 [0,3,0,0,0,0|0,0,1]=4 34401 B12R0.111 CCCCC(CC)OCCCC=O 7a_100011215227_200011292268 [0,3,0,0,0,0|0,0,1]=4 34402 B12R0.111 CCCCC(CC)OCCCCBr 34a_100011216708_200011216223 [0,3,0,0,0,0|0,0,0]=3 34403 B12R0.111 CCCCC(CC)OCCCCCl 34a_100000210776_200011216223 [0,3,0,0,0,0|0,0,0]=3 34404 B12R0.111 CCCCC(CC)OCCCCCl 7a_100000210776_200011216223 [0,3,0,0,0,0|0,0,0]=3 34405 B12R0.111 CCCCC(CC)OCCCCF 34a_100011215227_100000729493 [0,3,0,0,0,0|0,0,0]=3 34406 B12R0.111 CCCCC(CC)OCCCCF 34a_100011995726_200011216223 [0,3,0,0,0,0|0,0,0]=3 34407 B12R0.111 CCCCC(CC)OCCCCF 7a_100011215227_100000729493 [0,3,0,0,0,0|0,0,0]=3 34408 B12R0.111 CCCCC(CC)OCCCCF 7a_100011995726_200011216223 [0,3,0,0,0,0|0,0,0]=3 34409 B12R0.111 CCCCC(CC)OCCCCI 34a_200012148704_200011216223 [0,3,0,0,0,0|0,0,0]=3 34410 B12R0.111 CCCCC(CC)OCCCCN 34a_100000750430_200011216223 [0,3,0,0,0,0|0,0,0]=3 34411 B12R0.111 CCCCC(CC)OCCCCO 34a_100011215227_100011216708 [0,3,0,0,0,0|0,0,0]=3 34412 B12R0.111 CCCCC(CC)OCCCCO 7a_100011215227_100000210776 [0,3,0,0,0,0|0,0,0]=3 34413 B12R0.111 CCCCC(CC)OCCCNC 34a_100000213112_200011216223 [0,3,0,0,0,0|0,0,0]=3 34414 B12R0.111 CCCCC(CC)OCCCOC 34a_100000740835_200011216223 [0,3,0,0,0,0|0,0,0]=3 34415 B12R0.111 CCCCC(CC)OCCCOC 34a_100011215227_100000740836 [0,3,0,0,0,0|0,0,0]=3 34416 B12R0.111 CCCCC(CC)OCCCOC 7a_100011215227_100000740836 [0,3,0,0,0,0|0,0,0]=3 34417 B12R0.111 CCCCC(CC)OCCCSC 34a_100000690336_200011216223 [0,3,0,0,0,0|0,0,0]=3 34418 B12R0.111 CCCCC(CC)OCCCSC 7a_100000690336_200011216223 [0,3,0,0,0,0|0,0,0]=3 34419 B12R0.111 CCCCC(CC)OCCOCC 34a_100000210136_200011216223 [0,3,0,0,0,0|0,0,0]=3 34420 B12R0.111 CCCCC(CC)OCCOCC 34a_100011215227_100000210147 [0,3,0,0,0,0|0,0,0]=3 34421 B12R0.111 CCCCC(CC)OCCOCC 7a_100000210136_200011216223 [0,3,0,0,0,0|0,0,0]=3 34422 B12R0.111 CCCCC(CC)OCCOCC 7a_100011215227_100011215890 [0,3,0,0,0,0|0,0,0]=3 34423 B12R0.111 CCCCC(CC)OCCSCC 34a_100000212035_200011216223 [0,3,0,0,0,0|0,0,0]=3 34424 B12R0.111 CCCCC(CC)OCCSCC 34a_100011215227_100000757381 [0,3,0,0,0,0|0,0,0]=3 34425 B12R0.111 CCCCC(CC)OCCSCC 7a_100000212035_200011216223 [0,3,0,0,0,0|0,0,0]=3 34426 B12R0.111 CCCCC(CC)OCCSCC 7a_100011215227_100000757381 [0,3,0,0,0,0|0,0,0]=3 34427 B12R0.111 CCCCC(CC)SCCCCF 62a_100000729493_200011216223 [0,3,0,0,0,0|0,1,0]=4 34428 B12R0.111 CCCCC(CC)SCCCCF 62a_200011216223_100000729493 [0,3,0,0,0,0|0,1,0]=4 34429 B12R0.111 CCCCC(CC)SCCCCO 62a_100000210776_200011216223 [0,3,0,0,0,0|0,1,0]=4 34430 B12R0.111 CCCCC(CC)SCCCCO 62a_200011216223_100000210776 [0,3,0,0,0,0|0,1,0]=4 34431 B12R0.111 CCCCC(CC)SCCCOC 62a_100000709357_200011216223 [0,3,0,0,0,0|0,1,0]=4 34432 B12R0.111 CCCCC(CC)SCCCOC 62a_200011216223_100000709357 [0,3,0,0,0,0|0,1,0]=4 34433 B12R0.111 CCCCC(CC)SCCOCC 62a_100000210147_200011216223 [0,3,0,0,0,0|0,1,0]=4 34434 B12R0.111 CCCCC(CC)SCCOCC 62a_200011216223_100011215890 [0,3,0,0,0,0|0,1,0]=4 34435 B12R0.111 CCCCC(CC)SCCSCC 62a_100000757381_200011216223 [0,3,0,0,0,0|0,1,0]=4 34436 B12R0.111 CCCCC(CC)SCCSCC 62a_200011216223_100000757381 [0,3,0,0,0,0|0,1,0]=4 34437 B12R0.111 CCCCCCC(CC)NCCC 270004a_100020643023_100011219640 [0,3,0,0,0,0|1,0,0]=4 34438 B12R0.111 CCCCCCC(CC)OCCC 34a_100011215785_100000210303 [0,3,0,0,0,0|1,0,0]=4 34439 B12R0.111 CCCCCCC(CC)OCCC 7a_100011215785_100000210303 [0,3,0,0,0,0|1,0,0]=4 34440 B12R0.111 CCCCCCC(CCCC)NC 270004a_106832991635_200011215745 [0,3,0,0,0,0|1,0,0]=4 34441 B12R0.111 CCCCCCC(CCCC)OC 34a_200011216055_200000210301 [0,3,0,0,0,0|1,0,0]=4 34442 B12R0.111 CCCCCCC(CCCC)OC 7a_200011216055_200000210301 [0,3,0,0,0,0|1,0,0]=4 34443 B12R0.111 CCCCCCC(CCCC)O[13CH3] 34a_200011216055_200025704644 [0,3,0,0,0,0|1,0,0]=4 34444 B12R0.111 CCCCCCC(CCCC)O[13CH3] 7a_200011216055_200025704644 [0,3,0,0,0,0|1,0,0]=4 34445 B12R0.111 CCCCCCN(CC)CCCC 2230a_100000207695_100000210314 [0,3,0,0,0,0|1,0,0]=4 34446 B12R0.111 CCCCCCN(CC)CCCC 2230a_200000207677_100000210202 [0,3,0,0,0,0|1,0,0]=4 34447 B12R0.111 CCCCCCN(CC)CCCC 269982a_100000207695_100000210757 [0,3,0,0,0,0|1,0,0]=4 34448 B12R0.111 CCCCCCN(CC)CCCC 269982a_200000207677_100000204670 [0,3,0,0,0,0|1,0,0]=4 34449 B12R0.111 CCCCCCN(CF)CCCC 269982a_200000207677_100015361967 [0,3,0,0,0,0|1,0,0]=4 34450 B12R0.111 CCCCCNC(CC)CCCC 270004a_100000209983_100000753412 [0,3,0,0,0,0|1,0,0]=4 34451 B12R0.111 CCCCCN[C@H](CO)CCCC 2230a_100011934283_100000210326 [0,3,0,0,0,0|1,0,0]=4 34452 B12R0.111 CCCCCN[C@H](CO)CCCC 34a_100011934283_100000718602 [0,3,0,0,0,0|1,0,0]=4 34453 B12R0.111 CCCCCN[C@H](CO)CCSC 2230a_100011827619_100000210326 [0,3,0,0,0,0|1,0,0]=4 34454 B12R0.111 CCCCCOC(CC)CCCC 34a_100000210253_200011216223 [0,3,0,0,0,0|0,0,0]=3 34455 B12R0.111 CCCCCOC(CC)CCCC 34a_100011215227_100000718602 [0,3,0,0,0,0|0,0,0]=3 34456 B12R0.111 CCCCCOC(CC)CCCC 7a_100000210253_200011216223 [0,3,0,0,0,0|0,0,0]=3 34457 B12R0.111 CCCCCOC(CC)CCCC 7a_100011215227_100000210326 [0,3,0,0,0,0|0,0,0]=3 34458 B12R0.111 CCCCCOC(CN)COCC 34a_102515437182_100000718602 [0,3,0,0,0,0|0,0,0]=3 34459 B12R0.111 CCCCCSC(CC)CCCC 62a_100000210326_200011216223 [0,3,0,0,0,0|0,1,0]=4 34460 B12R0.111 CCCCCSC(CC)CCCC 62a_200011216223_100000210326 [0,3,0,0,0,0|0,1,0]=4 34461 B12R0.111 CCCCN(CC)CCCCCF 2230a_100000207695_100000729378 [0,3,0,0,0,0|1,0,0]=4 34462 B12R0.111 CCCCN(CC)CCCCCF 269982a_100000207695_100000729378 [0,3,0,0,0,0|1,0,0]=4 34463 B12R0.111 CCCCN(CC)CCCCCO 2230a_100000207695_100000746330 [0,3,0,0,0,0|1,0,0]=4 34464 B12R0.111 CCCCN(CC)CCCCCO 269982a_100000207695_100000746330 [0,3,0,0,0,0|1,0,0]=4 34465 B12R0.111 CCCCN(CC)CCCCOC 2230a_100000207695_100000730899 [0,3,0,0,0,0|1,0,0]=4 34466 B12R0.111 CCCCN(CC)CCCCOC 269982a_100000207695_100000730899 [0,3,0,0,0,0|1,0,0]=4 34467 B12R0.111 CCCCN(CC)CCCOCC 2230a_100000207695_100012232248 [0,3,0,0,0,0|1,0,0]=4 34468 B12R0.111 CCCCN(CC)CCCOCC 269982a_100000207695_100012232248 [0,3,0,0,0,0|1,0,0]=4 34469 B12R0.111 CCCCN(CC)CCNCCC 2230a_200011208488_100000210303 [0,3,0,0,0,0|1,0,0]=4 34470 B12R0.111 CCCCN(CC)CCOCCC 2230a_100000207695_100011215938 [0,3,0,0,0,0|1,0,0]=4 34471 B12R0.111 CCCCN(CC)CCOCCC 269982a_100000207695_100011215938 [0,3,0,0,0,0|1,0,0]=4 34472 B12R0.111 CCCCN(CC)COCCOC 2230a_100000207695_100000231047 [0,3,0,0,0,0|1,0,0]=4 34473 B12R0.111 CCCCN(CC)COCCOC 269982a_100000207695_100000231047 [0,3,0,0,0,0|1,0,0]=4 34474 B12R0.111 CCCCN(CCCCOC)N=O 34a_200000034022_200000210301 [0,3,0,0,0,0|1,0,0]=4 34475 B12R0.111 CCCCN(CCCCOC)N=O 7a_200000034022_200000210301 [0,3,0,0,0,0|1,0,0]=4 34476 B12R0.111 CCCCN(CCCCO[13CH3])N=O 34a_200000034022_200025704644 [0,3,0,0,0,0|1,0,0]=4 34477 B12R0.111 CCCCN(CCCCO[13CH3])N=O 7a_200000034022_200025704644 [0,3,0,0,0,0|1,0,0]=4 34478 B12R0.111 CCCCNCC(CC)CCCC 2230a_100000102301_100000211942 [0,3,0,0,0,0|1,0,0]=4 34479 B12R0.111 CCCCNCC(CC)CCCC 2230a_100000209976_100000210211 [0,3,0,0,0,0|1,0,0]=4 34480 B12R0.111 CCCCNCC(CC)CCCC 269862a_100000102301_100011219736 [0,3,0,0,0,0|1,0,0]=4 34481 B12R0.111 CCCCNCC(CC)CCCC 270004a_100000102301_100011219736 [0,3,0,0,0,0|1,0,0]=4 34482 B12R0.111 CCCCNCC(CC)CCCC 7a_106832991798_100000211942 [0,3,0,0,0,0|1,0,0]=4 34483 B12R0.111 CCCCOCC(CC)CCCC 34a_100000210227_100000211942 [0,3,0,0,0,0|0,0,0]=3 34484 B12R0.111 CCCCOCC(CC)CCCC 34a_100000210273_100000210210 [0,3,0,0,0,0|0,0,0]=3 34485 B12R0.111 CCCCOCC(CC)CCCC 7a_100000210227_100000211942 [0,3,0,0,0,0|0,0,0]=3 34486 B12R0.111 CCCCOCC(CC)CCCC 7a_100000210273_100000210211 [0,3,0,0,0,0|0,0,0]=3 34487 B12R0.111 CCCCOCN(CC)CCCC 2230a_100000207695_100011995733 [0,3,0,0,0,0|0,0,0]=3 34488 B12R0.111 CCCCOCN(CC)CCCC 269982a_100000207695_100011995733 [0,3,0,0,0,0|0,0,0]=3 34489 B12R0.111 CCCCOCN(CC)CCOC 2230a_100000731262_100011995733 [0,3,0,0,0,0|1,0,0]=4 34490 B12R0.111 CCCCOCN(CC)CCOC 269982a_100000731262_100011995733 [0,3,0,0,0,0|1,0,0]=4 34491 B12R0.111 CCCCSCC(CC)CCCC 62a_100000210211_100000211942 [0,3,0,0,0,0|0,1,0]=4 34492 B12R0.111 CCCCSCC(CC)CCCC 62a_100000211942_100000210210 [0,3,0,0,0,0|0,1,0]=4 34493 B12R0.111 CCCC[C@@H](CO)NCCCCF 2230a_100011934283_100000729493 [0,3,0,0,0,0|1,0,0]=4 34494 B12R0.111 CCCC[C@@H](CO)NCCCCF 34a_100011934283_100000729493 [0,3,0,0,0,0|1,0,0]=4 34495 B12R0.111 CCCC[C@@H](CO)NCCCCO 2230a_100011934283_100000210776 [0,3,0,0,0,0|1,0,0]=4 34496 B12R0.111 CCCC[C@@H](CO)NCCCCO 34a_100011934283_100011216708 [0,3,0,0,0,0|1,0,0]=4 34497 B12R0.111 CCCC[C@@H](CO)NCCCOC 2230a_100011934283_100000740836 [0,3,0,0,0,0|1,0,0]=4 34498 B12R0.111 CCCC[C@@H](CO)NCCCOC 34a_100011934283_100000740836 [0,3,0,0,0,0|1,0,0]=4 34499 B12R0.111 CCCC[C@@H](CO)NCCOCC 2230a_100011934283_100011215890 [0,3,0,0,0,0|1,0,0]=4 34500 B12R0.111 CCCC[C@@H](CO)NCCOCC 34a_100011934283_100000210147 [0,3,0,0,0,0|1,0,0]=4 34501 B12R0.111 CCCC[C@@H](CO)NCCSCC 2230a_100011934283_100000757381 [0,3,0,0,0,0|1,0,0]=4 34502 B12R0.111 CCCC[C@@H](CO)NCCSCC 34a_100011934283_100000757381 [0,3,0,0,0,0|1,0,0]=4 34503 B12R0.111 CCOCC(CN)OCCCCF 34a_102515437182_100000729493 [0,3,0,0,0,0|1,0,0]=4 34504 B12R0.111 CCOCC(CN)OCCCCO 34a_102515437182_100011216708 [0,3,0,0,0,0|1,0,0]=4 34505 B12R0.111 CCOCC(CN)OCCCOC 34a_102515437182_100000740836 [0,3,0,0,0,0|1,0,0]=4 34506 B12R0.111 CCOCC(CN)OCCSCC 34a_102515437182_100000757381 [0,3,0,0,0,0|1,0,0]=4 34507 B12R0.111 CCOCCOC(CN)COCC 34a_102515437182_100000210147 [0,3,0,0,0,0|1,0,0]=4 34508 B12R0.255 C#CCCCOC(C)CCC(C)C 34a_100000215630_100011261404 [0,3,0,0,0,0|0,0,1]=4 34509 B12R0.255 C#CCCCOC(C)CCC(C)C 34a_100011215350_100000695029 [0,3,0,0,0,0|0,0,1]=4 34510 B12R0.255 C#CCCCOC(C)CCC(C)C 7a_100011215350_100011215417 [0,3,0,0,0,0|0,0,1]=4 34511 B12R0.255 C/C=C/CCOC(C)CCC(C)C 34a_100016278192_100011261404 [0,3,0,0,0,0|0,0,1]=4 34512 B12R0.255 C=C(C)CCC(=O)COCCCC 1458a_100000757543_100000730704 [0,3,0,0,0,0|0,0,1]=4 34513 B12R0.255 C=C(C)CCC(=O)COCCCC 1458a_200000688413_100011995733 [0,3,0,0,0,0|0,0,1]=4 34514 B12R0.255 C=C(C)CCC(C)NCCCCC 270004a_100000209983_100011215600 [0,3,0,0,0,0|1,0,0]=4 34515 B12R0.255 C=C(C)COC(C)COCCCC 34a_100011217071_100000748629 [0,3,0,0,0,0|0,0,1]=4 34516 B12R0.255 C=C(C)COC(C)COCCCC 7a_100011217071_100000748629 [0,3,0,0,0,0|0,0,1]=4 34517 B12R0.255 C=CCCCOC(C)CCC(C)C 34a_100000758997_100011261404 [0,3,0,0,0,0|0,0,1]=4 34518 B12R0.255 C=CCCCOC(C)CCC(C)C 34a_100011215350_100000757094 [0,3,0,0,0,0|0,0,1]=4 34519 B12R0.255 C=CCCCOC(C)CCC(C)C 7a_100011215350_100000757094 [0,3,0,0,0,0|0,0,1]=4 34520 B12R0.255 CC#CCCOC(C)CCC(C)C 34a_100000750427_100011261404 [0,3,0,0,0,0|0,0,1]=4 34521 B12R0.255 CC(C)CCC(=O)CCCCCF 1458a_100000181311_100000729378 [0,3,0,0,0,0|1,0,0]=4 34522 B12R0.255 CC(C)CCC(=O)CCCCCO 1458a_100000181311_100000746330 [0,3,0,0,0,0|1,0,0]=4 34523 B12R0.255 CC(C)CCC(=O)CCCCCO 1458a_100102619762_100000210312 [0,3,0,0,0,0|1,0,0]=4 34524 B12R0.255 CC(C)CCC(C)NCCCCF 2230a_100138410893_100000729493 [0,3,0,0,0,0|1,0,0]=4 34525 B12R0.255 CC(C)CCC(C)NCCCCO 2230a_100000750430_100011261404 [0,3,0,0,0,0|1,0,0]=4 34526 B12R0.255 CC(C)CCC(C)NCCCCO 2230a_100138410893_100000210776 [0,3,0,0,0,0|1,0,0]=4 34527 B12R0.255 CC(C)CCC(C)NCCCCO 270004a_100000750430_100000210476 [0,3,0,0,0,0|1,0,0]=4 34528 B12R0.255 CC(C)CCC(C)NCCCCO 34a_100000750430_100011261404 [0,3,0,0,0,0|1,0,0]=4 34529 B12R0.255 CC(C)CCC(C)OCCCC#N 7a_100011215350_100000687738 [0,3,0,0,0,0|0,0,1]=4 34530 B12R0.255 CC(C)CCC(C)OCCCC=O 7a_100011215350_200011292268 [0,3,0,0,0,0|0,0,1]=4 34531 B12R0.255 CC(C)CCC(C)OCCCCBr 34a_100011216708_100011261404 [0,3,0,0,0,0|0,0,0]=3 34532 B12R0.255 CC(C)CCC(C)OCCCCCl 34a_100000210776_100011261404 [0,3,0,0,0,0|0,0,0]=3 34533 B12R0.255 CC(C)CCC(C)OCCCCF 34a_100011215350_100000729493 [0,3,0,0,0,0|0,0,0]=3 34534 B12R0.255 CC(C)CCC(C)OCCCCF 34a_100011995726_100011261404 [0,3,0,0,0,0|0,0,0]=3 34535 B12R0.255 CC(C)CCC(C)OCCCCF 7a_100011215350_100000729493 [0,3,0,0,0,0|0,0,0]=3 34536 B12R0.255 CC(C)CCC(C)OCCCCI 34a_200012148704_100011261404 [0,3,0,0,0,0|0,0,0]=3 34537 B12R0.255 CC(C)CCC(C)OCCCCN 34a_100000750430_100011261404 [0,3,0,0,0,0|0,0,0]=3 34538 B12R0.255 CC(C)CCC(C)OCCCCO 34a_100011215350_100011216708 [0,3,0,0,0,0|0,0,0]=3 34539 B12R0.255 CC(C)CCC(C)OCCCCO 7a_100011215350_100000210776 [0,3,0,0,0,0|0,0,0]=3 34540 B12R0.255 CC(C)CCC(C)SCCCCF 62a_100000729493_100011261404 [0,3,0,0,0,0|0,1,0]=4 34541 B12R0.255 CC(C)CCC(C)SCCCCF 62a_100011261404_100000729493 [0,3,0,0,0,0|0,1,0]=4 34542 B12R0.255 CC(C)CCC(C)SCCCCO 62a_100000210776_100011261404 [0,3,0,0,0,0|0,1,0]=4 34543 B12R0.255 CC(C)CCC(C)SCCCCO 62a_100011261404_100000210776 [0,3,0,0,0,0|0,1,0]=4 34544 B12R0.255 CC(C)CCN(C)CCCCCF 2230a_100000742789_100000729378 [0,3,0,0,0,0|1,0,0]=4 34545 B12R0.255 CC(C)CCN(C)CCCCCF 269982a_100000742789_100000729378 [0,3,0,0,0,0|1,0,0]=4 34546 B12R0.255 CC(C)CCN(C)CCCCCO 2230a_100000722520_100000210312 [0,3,0,0,0,0|1,0,0]=4 34547 B12R0.255 CC(C)CCN(C)CCCCCO 2230a_100000742789_100000746330 [0,3,0,0,0,0|1,0,0]=4 34548 B12R0.255 CC(C)CCN(C)CCCCCO 269982a_100000722520_100000210312 [0,3,0,0,0,0|1,0,0]=4 34549 B12R0.255 CC(C)CCN(C)CCCCCO 269982a_100000742789_100000746330 [0,3,0,0,0,0|1,0,0]=4 34550 B12R0.255 CC(O)CCC(=O)CCCCCO 1458a_100102619762_100012276601 [0,3,0,0,0,0|1,0,0]=4 34551 B12R0.255 CC(O)CCN(C)CCCCCO 2230a_100000722520_100012276601 [0,3,0,0,0,0|1,0,0]=4 34552 B12R0.255 CC(O)CCN(C)CCCCCO 269982a_100000722520_100012276601 [0,3,0,0,0,0|1,0,0]=4 34553 B12R0.255 CC/C=C\COC(C)CCC(C)C 34a_100011215350_100103147603 [0,3,0,0,0,0|0,0,1]=4 34554 B12R0.255 CC/C=C\COC(C)CCC(C)C 34a_100016268518_100011261404 [0,3,0,0,0,0|0,0,1]=4 34555 B12R0.255 CC/C=C\COC(C)CCC(C)C 7a_100011215350_100103147603 [0,3,0,0,0,0|0,0,1]=4 34556 B12R0.255 CCC#CCOC(C)CCC(C)C 34a_100000032950_100011261404 [0,3,0,0,0,0|0,0,1]=4 34557 B12R0.255 CCC#CCOC(C)CCC(C)C 34a_100011215350_100009813939 [0,3,0,0,0,0|0,0,1]=4 34558 B12R0.255 CCC#CCOC(C)CCC(C)C 7a_100011215350_100009813939 [0,3,0,0,0,0|0,0,1]=4 34559 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210757 [0,3,0,0,0,0|1,0,0]=4 34560 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100102632555_100000210312 [0,3,0,0,0,0|1,0,0]=4 34561 B12R0.255 CCCCCCC(=O)CCC(C)O 1458a_100102632555_100012276601 [0,3,0,0,0,0|1,0,0]=4 34562 B12R0.255 CCCCCCC(C)NCC(C)C 2230a_100000210919_100000210760 [0,3,0,0,0,0|1,0,0]=4 34563 B12R0.255 CCCCCCC(C)NCC(C)C 2230a_100000210953_100011215978 [0,3,0,0,0,0|1,0,0]=4 34564 B12R0.255 CCCCCCC(C)NCC(C)C 270004a_100000210919_100000210432 [0,3,0,0,0,0|1,0,0]=4 34565 B12R0.255 CCCCCCC(C)NCC(C)C 270004a_100000210953_100000210826 [0,3,0,0,0,0|1,0,0]=4 34566 B12R0.255 CCCCCCC(C)NCC(C)C 34a_100000210919_100000210624 [0,3,0,0,0,0|1,0,0]=4 34567 B12R0.255 CCCCCCC(C)NCC(C)C 34a_100000210953_100011215978 [0,3,0,0,0,0|1,0,0]=4 34568 B12R0.255 CCCCCCC(C)NCC(C)O 2230a_100000210904_100011215978 [0,3,0,0,0,0|1,0,0]=4 34569 B12R0.255 CCCCCCC(C)NCC(C)O 2230a_100000210919_100011218427 [0,3,0,0,0,0|1,0,0]=4 34570 B12R0.255 CCCCCCC(C)NCC(C)O 270004a_100000210904_100000210826 [0,3,0,0,0,0|1,0,0]=4 34571 B12R0.255 CCCCCCC(C)NCC(C)O 34a_100000210904_100011215978 [0,3,0,0,0,0|1,0,0]=4 34572 B12R0.255 CCCCCCC(C)NCC(C)O 34a_100000210919_100011218427 [0,3,0,0,0,0|1,0,0]=4 34573 B12R0.255 CCCCCCC(C)NC[C@@H](C)O 2230a_100000210919_100009817552 [0,3,0,0,0,0|1,0,0]=4 34574 B12R0.255 CCCCCCC(C)NC[C@@H](C)O 34a_100000210919_100009817552 [0,3,0,0,0,0|1,0,0]=4 34575 B12R0.255 CCCCCCC(C)OCC(C)Br 34a_100012180447_100011215978 [0,3,0,0,0,0|1,0,0]=4 34576 B12R0.255 CCCCCCC(C)OCC(C)C 34a_100000210257_100011215978 [0,3,0,0,0,0|1,0,0]=4 34577 B12R0.255 CCCCCCC(C)OCC(C)C 34a_100000210265_100000210624 [0,3,0,0,0,0|1,0,0]=4 34578 B12R0.255 CCCCCCC(C)OCC(C)C 7a_100000210265_100000210760 [0,3,0,0,0,0|1,0,0]=4 34579 B12R0.255 CCCCCCC(C)OCC(C)F 34a_100015925927_100011215978 [0,3,0,0,0,0|1,0,0]=4 34580 B12R0.255 CCCCCCC(C)OCC(C)O 34a_100000210265_100011218427 [0,3,0,0,0,0|1,0,0]=4 34581 B12R0.255 CCCCCCC(C)OCC(C)O 7a_100000210265_100011218427 [0,3,0,0,0,0|1,0,0]=4 34582 B12R0.255 CCCCCCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215978 [0,3,0,0,0,0|1,0,0]=4 34583 B12R0.255 CCCCCCC(C)OC[C@@H](C)N 34a_100000737577_100011215978 [0,3,0,0,0,0|1,0,0]=4 34584 B12R0.255 CCCCCCC(C)OC[C@@H](C)O 34a_100000210265_100009817552 [0,3,0,0,0,0|1,0,0]=4 34585 B12R0.255 CCCCCCC(C)OC[C@@H](C)O 7a_100000210265_100009817552 [0,3,0,0,0,0|1,0,0]=4 34586 B12R0.255 CCCCCCC(C)SCC(C)C 62a_100000210624_100011215978 [0,3,0,0,0,0|1,0,0]=4 34587 B12R0.255 CCCCCCC(C)SCC(C)C 62a_100011215978_100000210760 [0,3,0,0,0,0|1,0,0]=4 34588 B12R0.255 CCCCCCC(C)SCC(C)O 62a_100011215978_100011218427 [0,3,0,0,0,0|1,0,0]=4 34589 B12R0.255 CCCCCCC(C)SCC(C)O 62a_100011218427_100011215978 [0,3,0,0,0,0|1,0,0]=4 34590 B12R0.255 CCCCCCC(C)SC[C@@H](C)O 62a_100009817552_100011215978 [0,3,0,0,0,0|1,0,0]=4 34591 B12R0.255 CCCCCCC(C)SC[C@@H](C)O 62a_100011215978_100009817552 [0,3,0,0,0,0|1,0,0]=4 34592 B12R0.255 CCCCCCN(C)CCC(C)C 2230a_100000742789_100000210314 [0,3,0,0,0,0|1,0,0]=4 34593 B12R0.255 CCCCCCN(C)CCC(C)C 2230a_106256046315_100000210312 [0,3,0,0,0,0|1,0,0]=4 34594 B12R0.255 CCCCCCN(C)CCC(C)C 269982a_100000742789_100000210757 [0,3,0,0,0,0|1,0,0]=4 34595 B12R0.255 CCCCCCN(C)CCC(C)C 269982a_106256046315_100000210312 [0,3,0,0,0,0|1,0,0]=4 34596 B12R0.255 CCCCCCN(C)CCC(C)O 2230a_106256046315_100012276601 [0,3,0,0,0,0|1,0,0]=4 34597 B12R0.255 CCCCCCN(C)CCC(C)O 269982a_106256046315_100012276601 [0,3,0,0,0,0|1,0,0]=4 34598 B12R0.255 CCCCCNC(=O)CCC(C)C 11a_100000209983_100000181311 [0,3,0,0,0,0|1,0,0]=4 34599 B12R0.255 CCCCCNC(=O)CCC(C)C 1626a_100000209983_100000181311 [0,3,0,0,0,0|1,0,0]=4 34600 B12R0.255 CCCCCNC(=O)CCC(C)C 240690a_100000209983_100000181311 [0,3,0,0,0,0|1,0,0]=4 34601 B12R0.255 CCCCCNC(=O)CCC(C)C 527a_100000209983_100000181311 [0,3,0,0,0,0|1,0,0]=4 34602 B12R0.255 CCCCCNC(=O)CCC(C)O 1626a_100000209983_100000718519 [0,3,0,0,0,0|1,0,0]=4 34603 B12R0.255 CCCCCNC(C)CCC(C)C 2230a_100000209983_100011261404 [0,3,0,0,0,0|1,0,0]=4 34604 B12R0.255 CCCCCNC(C)CCC(C)C 2230a_100138410893_100000210326 [0,3,0,0,0,0|1,0,0]=4 34605 B12R0.255 CCCCCNC(C)CCC(C)C 270004a_100000209983_100000210476 [0,3,0,0,0,0|1,0,0]=4 34606 B12R0.255 CCCCCOC(C)CCC(C)C 34a_100000210253_100011261404 [0,3,0,0,0,0|0,0,0]=3 34607 B12R0.255 CCCCCOC(C)CCC(C)C 34a_100011215350_100000718602 [0,3,0,0,0,0|0,0,0]=3 34608 B12R0.255 CCCCCOC(C)CCC(C)C 7a_100011215350_100000210326 [0,3,0,0,0,0|0,0,0]=3 34609 B12R0.255 CCCCCSC(C)CCC(C)C 62a_100000210326_100011261404 [0,3,0,0,0,0|0,1,0]=4 34610 B12R0.255 CCCCCSC(C)CCC(C)C 62a_100011261404_100000210326 [0,3,0,0,0,0|0,1,0]=4 34611 B12R0.255 CCCCOCC(=O)CCC(C)C 1458a_100000181311_100011995733 [0,3,0,0,0,0|0,0,0]=3 34612 B12R0.255 CCCCOCC(=O)CCC(C)C 1458a_100000757543_100000210312 [0,3,0,0,0,0|0,0,0]=3 34613 B12R0.255 CCCCOCC(=O)CCC(C)O 1458a_100000757543_100012276601 [0,3,0,0,0,0|0,0,0]=3 34614 B12R0.255 CCCCOCC(=O)CC[S+](C)C 1458a_100009452791_100011995733 [0,3,0,0,0,0|0,0,1]=4 34615 B12R0.255 CCCCOCC(=O)COC(C)C 1458a_100000745533_100011995733 [0,3,0,0,0,0|0,0,1]=4 34616 B12R0.255 CCCCOCC(=O)CSC(C)C 1458a_100000241585_100011995733 [0,3,0,0,0,0|0,0,1]=4 34617 B12R0.255 CCCCOCC(=O)NCC(C)C 11a_100000210953_100000757543 [0,3,0,0,0,0|0,0,1]=4 34618 B12R0.255 CCCCOCC(=O)NCC(C)C 1626a_100000210953_100000757543 [0,3,0,0,0,0|0,0,1]=4 34619 B12R0.255 CCCCOCC(=O)NCC(C)C 240690a_100000210953_100000757543 [0,3,0,0,0,0|0,0,1]=4 34620 B12R0.255 CCCCOCC(=O)NCC(C)C 34a_100000210227_100000183291 [0,3,0,0,0,0|0,0,1]=4 34621 B12R0.255 CCCCOCC(=O)NCC(C)C 527a_100000210953_100000757543 [0,3,0,0,0,0|0,0,1]=4 34622 B12R0.255 CCCCOCC(=O)NCC(C)C 7a_100000210227_100000183291 [0,3,0,0,0,0|0,0,1]=4 34623 B12R0.255 CCCCOCC(=O)NCC(C)O 11a_100000210904_100000757543 [0,3,0,0,0,0|0,0,1]=4 34624 B12R0.255 CCCCOCC(=O)NCC(C)O 240690a_100000210904_100000757543 [0,3,0,0,0,0|0,0,1]=4 34625 B12R0.255 CCCCOCC(=O)NCC(C)O 527a_100000210904_100000757543 [0,3,0,0,0,0|0,0,1]=4 34626 B12R0.255 CCCCOCC(C)CSC(=O)C 34a_100000210227_200000116872 [0,3,0,0,0,0|0,0,1]=4 34627 B12R0.255 CCCCOCC(C)CSC(=O)C 7a_100000210227_200000116872 [0,3,0,0,0,0|0,0,1]=4 34628 B12R0.255 CCCCOCC(C)OCC(C)C 34a_100011217071_100000210624 [0,3,0,0,0,0|0,0,0]=3 34629 B12R0.255 CCCCOCC(C)OCC(C)C 7a_100011217071_100000210760 [0,3,0,0,0,0|0,0,0]=3 34630 B12R0.255 CCCCOCC(C)OCC(C)O 34a_100011217071_100011218427 [0,3,0,0,0,0|0,0,0]=3 34631 B12R0.255 CCCCOCC(C)OCC(C)O 7a_100011217071_100011218427 [0,3,0,0,0,0|0,0,0]=3 34632 B12R0.255 CCCCOCC(C)OCC(F)F 34a_100011217071_100011934356 [0,3,0,0,0,0|1,0,0]=4 34633 B12R0.255 CCCCOCC(C)OCC(F)F 7a_100011217071_100011934356 [0,3,0,0,0,0|1,0,0]=4 34634 B12R0.255 CCCCOCC(C)OC[C@@H](C)O 34a_100011217071_100009817552 [0,3,0,0,0,0|0,0,0]=3 34635 B12R0.255 CCCCOCC(C)OC[C@@H](C)O 7a_100011217071_100009817552 [0,3,0,0,0,0|0,0,0]=3 34636 B12R0.255 CCCCOCC(O)COC(=O)C 34a_100000210227_200000139349 [0,3,0,0,0,0|0,0,1]=4 34637 B12R0.255 CCCCOCC(O)COC(=O)C 7a_100000210227_200000139349 [0,3,0,0,0,0|0,0,1]=4 34638 B12R0.255 CCCCOCN(C)CCC(C)C 2230a_100000742789_100011995733 [0,3,0,0,0,0|0,0,0]=3 34639 B12R0.255 CCCCOCN(C)CCC(C)C 269982a_100000742789_100011995733 [0,3,0,0,0,0|0,0,0]=3 34640 B12R0.255 CCCCOCN(C)CCN(C)C 269982a_100000225618_100011995733 [0,3,0,0,0,0|1,0,0]=4 34641 B12R0.255 CCCCSCC(=O)CCC(C)C 1458a_100000191162_100000210312 [0,3,0,0,0,0|0,1,0]=4 34642 B12R0.255 CCCCSCC(=O)CCC(C)O 1458a_100000191162_100012276601 [0,3,0,0,0,0|0,1,0]=4 34643 B12R0.255 CCCOCCC(=O)CCC(C)C 1458a_100000181311_100011215938 [0,3,0,0,0,0|1,0,0]=4 34644 B12R0.255 CCCOCCN(C)CCC(C)C 2230a_100000742789_100011215938 [0,3,0,0,0,0|1,0,0]=4 34645 B12R0.255 CCCOCCN(C)CCC(C)C 269982a_100000742789_100011215938 [0,3,0,0,0,0|1,0,0]=4 34646 B12R0.255 CCOCCCC(=O)CCC(C)C 1458a_100000181311_100012232248 [0,3,0,0,0,0|1,0,0]=4 34647 B12R0.255 CCOCCCN(C)CCC(C)C 2230a_100000742789_100012232248 [0,3,0,0,0,0|1,0,0]=4 34648 B12R0.255 CCOCCCN(C)CCC(C)C 269982a_100000742789_100012232248 [0,3,0,0,0,0|1,0,0]=4 34649 B12R0.255 CCOCCNC(C)CCC(C)C 2230a_100138410893_100011215890 [0,3,0,0,0,0|1,0,0]=4 34650 B12R0.255 CCOCCNC(C)CCC(C)C 2230a_102516460346_100011261404 [0,3,0,0,0,0|1,0,0]=4 34651 B12R0.255 CCOCCNC(C)CCC(C)C 270004a_102516460346_100000210476 [0,3,0,0,0,0|1,0,0]=4 34652 B12R0.255 CCOCCNC(C)CCC(C)C 34a_102516460346_100011261404 [0,3,0,0,0,0|1,0,0]=4 34653 B12R0.255 CCOCCOC(C)CCC(C)C 34a_100000210136_100011261404 [0,3,0,0,0,0|0,0,0]=3 34654 B12R0.255 CCOCCOC(C)CCC(C)C 34a_100011215350_100000210147 [0,3,0,0,0,0|0,0,0]=3 34655 B12R0.255 CCOCCOC(C)CCC(C)C 7a_100011215350_100011215890 [0,3,0,0,0,0|0,0,0]=3 34656 B12R0.255 CCOCCSC(C)CCC(C)C 62a_100000210147_100011261404 [0,3,0,0,0,0|0,1,0]=4 34657 B12R0.255 CCOCCSC(C)CCC(C)C 62a_100011261404_100011215890 [0,3,0,0,0,0|0,1,0]=4 34658 B12R0.255 CCSCCNC(C)CCC(C)C 2230a_100000106463_100011261404 [0,3,0,0,0,0|1,0,0]=4 34659 B12R0.255 CCSCCNC(C)CCC(C)C 2230a_100138410893_100000757381 [0,3,0,0,0,0|1,0,0]=4 34660 B12R0.255 CCSCCNC(C)CCC(C)C 270004a_100000106463_100000210476 [0,3,0,0,0,0|1,0,0]=4 34661 B12R0.255 CCSCCOC(C)CCC(C)C 34a_100000212035_100011261404 [0,3,0,0,0,0|0,0,0]=3 34662 B12R0.255 CCSCCOC(C)CCC(C)C 34a_100011215350_100000757381 [0,3,0,0,0,0|0,0,0]=3 34663 B12R0.255 CCSCCOC(C)CCC(C)C 7a_100011215350_100000757381 [0,3,0,0,0,0|0,0,0]=3 34664 B12R0.255 CCSCCSC(C)CCC(C)C 62a_100000757381_100011261404 [0,3,0,0,0,0|0,1,0]=4 34665 B12R0.255 CCSCCSC(C)CCC(C)C 62a_100011261404_100000757381 [0,3,0,0,0,0|0,1,0]=4 34666 B12R0.255 CNCCCOC(C)CCC(C)C 34a_100000213112_100011261404 [0,3,0,0,0,0|0,0,0]=3 34667 B12R0.255 COCCCCC(=O)CCC(C)C 1458a_100000181311_100000755781 [0,3,0,0,0,0|1,0,0]=4 34668 B12R0.255 COCCCCN(C)CCC(C)C 2230a_100000742789_100000730899 [0,3,0,0,0,0|1,0,0]=4 34669 B12R0.255 COCCCCN(C)CCC(C)C 269982a_100000742789_100000730899 [0,3,0,0,0,0|1,0,0]=4 34670 B12R0.255 COCCCNC(C)CCC(C)C 2230a_100138410893_100000740836 [0,3,0,0,0,0|1,0,0]=4 34671 B12R0.255 COCCCNC(C)CCC(C)C 270004a_100150723488_100000210476 [0,3,0,0,0,0|1,0,0]=4 34672 B12R0.255 COCCCNC(C)CCC(C)C 34a_100150723488_100011261404 [0,3,0,0,0,0|1,0,0]=4 34673 B12R0.255 COCCCOC(C)CCC(C)C 34a_100000740835_100011261404 [0,3,0,0,0,0|0,0,0]=3 34674 B12R0.255 COCCCOC(C)CCC(C)C 34a_100011215350_100000740836 [0,3,0,0,0,0|0,0,0]=3 34675 B12R0.255 COCCCOC(C)CCC(C)C 7a_100011215350_100000740836 [0,3,0,0,0,0|0,0,0]=3 34676 B12R0.255 COCCCSC(C)CCC(C)C 62a_100000709357_100011261404 [0,3,0,0,0,0|0,1,0]=4 34677 B12R0.255 COCCCSC(C)CCC(C)C 62a_100011261404_100000709357 [0,3,0,0,0,0|0,1,0]=4 34678 B12R0.255 COCCOCC(=O)CCC(C)C 1458a_100000211095_100000210312 [0,3,0,0,0,0|1,0,0]=4 34679 B12R0.255 COCCOCC(=O)CCC(C)O 1458a_100000211095_100012276601 [0,3,0,0,0,0|1,0,0]=4 34680 B12R0.255 COCCOCN(C)CCC(C)C 2230a_100000742789_100000231047 [0,3,0,0,0,0|1,0,0]=4 34681 B12R0.255 COCCOCN(C)CCC(C)C 269982a_100000742789_100000231047 [0,3,0,0,0,0|1,0,0]=4 34682 B12R0.255 CSCCCNC(C)CCC(C)C 2230a_100000749238_100011261404 [0,3,0,0,0,0|1,0,0]=4 34683 B12R0.255 CSCCCNC(C)CCC(C)C 270004a_100000749238_100000210476 [0,3,0,0,0,0|1,0,0]=4 34684 B12R0.255 CSCCCOC(C)CCC(C)C 34a_100000690336_100011261404 [0,3,0,0,0,0|0,0,0]=3 34685 B12R0.585 C#CCCCOC(C)(C)CCCC 7a_100011219641_100011215417 [0,3,0,0,0,0|0,0,1]=4 34686 B12R0.585 C=CCCCOC(C)(C)CCCC 7a_100011219641_100000757094 [0,3,0,0,0,0|0,0,1]=4 34687 B12R0.585 CC(C)(CCCBr)OCCCCF 7a_100009888830_100000729493 [0,3,0,0,0,0|1,0,0]=4 34688 B12R0.585 CC(C)(CCCBr)OCCCCO 7a_100009888830_100000210776 [0,3,0,0,0,0|1,0,0]=4 34689 B12R0.585 CC/C=C\COC(C)(C)CCCC 7a_100011219641_100103147603 [0,3,0,0,0,0|0,0,1]=4 34690 B12R0.585 CCC#CCOC(C)(C)CCCC 7a_100011219641_100009813939 [0,3,0,0,0,0|0,0,1]=4 34691 B12R0.585 CCCCC(C)(C)COCCCF 7a_200011995781_100011934791 [0,3,0,0,0,0|1,0,0]=4 34692 B12R0.585 CCCCC(C)(C)COCCCO 7a_200011995781_100011215043 [0,3,0,0,0,0|1,0,0]=4 34693 B12R0.585 CCCCC(C)(C)COCCOC 7a_200011995781_100000233755 [0,3,0,0,0,0|1,0,0]=4 34694 B12R0.585 CCCCC(C)(C)COCCSC 7a_200011995781_100000212216 [0,3,0,0,0,0|1,0,0]=4 34695 B12R0.585 CCCCC(C)(C)OCCCC#N 7a_100011219641_100000687738 [0,3,0,0,0,0|0,0,1]=4 34696 B12R0.585 CCCCC(C)(C)OCCCC=O 7a_100011219641_200011292268 [0,3,0,0,0,0|0,0,1]=4 34697 B12R0.585 CCCCC(C)(C)OCCCCF 7a_100011219641_100000729493 [0,3,0,0,0,0|0,0,0]=3 34698 B12R0.585 CCCCC(C)(C)OCCCCO 7a_100011219641_100000210776 [0,3,0,0,0,0|0,0,0]=3 34699 B12R0.585 CCCCC(C)(C)OCCCOC 7a_100011219641_100000740836 [0,3,0,0,0,0|0,0,0]=3 34700 B12R0.585 CCCCC(C)(C)OCCOCC 7a_100011219641_100011215890 [0,3,0,0,0,0|0,0,0]=3 34701 B12R0.585 CCCCC(C)(C)OCCSCC 7a_100011219641_100000757381 [0,3,0,0,0,0|0,0,0]=3 34702 B12R0.585 CCCCCCC(C)(C)OCCC 7a_200011995690_100000210303 [0,3,0,0,0,0|1,0,0]=4 34703 B12R0.585 CCCCCNS(=O)(=O)CCCC 270084a_100000209983_100000212082 [0,3,0,0,0,0|0,1,0]=4 34704 B12R0.585 CCCCCNS(=O)(=O)CCCC 274078a_100000209983_100000212082 [0,3,0,0,0,0|0,1,0]=4 34705 B12R0.585 CCCCCNS(=O)(=O)CCCC 40a_100000209983_100000054263 [0,3,0,0,0,0|0,1,0]=4 34706 B12R0.585 CCCCCOC(C)(C)CCCBr 7a_100009888830_100000210326 [0,3,0,0,0,0|0,0,0]=3 34707 B12R0.585 CCCCCOC(C)(C)CCCC 7a_100011219641_100000210326 [0,3,0,0,0,0|0,0,0]=3 34708 B12R0.585 CCCCNC[Si](C)(C)CCCC 7a_106832991798_200000073895 [0,3,0,0,0,0|1,0,0]=4 34709 B12R0.585 CCCCOCC(C)(C)CCCC 7a_200011995781_100000210211 [0,3,0,0,0,0|0,0,0]=3 34710 B12R0.585 CCCCOC[Si](C)(C)CCCC 7a_100000210227_200000073895 [0,3,0,0,0,0|0,0,0]=3 34711 B12R0.585 CCCCSC[Si](C)(C)CCCC 62a_100000210211_200000073895 [0,3,0,0,0,0|0,1,0]=4 34712 B12R0.585 CCCCSC[Si](C)(C)CCCC 62a_200000073895_100000210210 [0,3,0,0,0,0|0,1,0]=4 34713 B12R0.585 CCCC[Si](C)(C)COCCSC 7a_100000230434_200000073895 [0,3,0,0,0,0|1,0,0]=4 34714 B12R0.585 CCCOC(C)(C)COCCOC 7a_100000067319_100000210303 [0,3,0,0,0,0|1,0,0]=4 34715 B12R0.585 CCOCCOC(C)(C)CCCBr 7a_100009888830_100011215890 [0,3,0,0,0,0|1,0,0]=4 34716 B12R0.585 CCSCCOC(C)(C)CCCBr 7a_100009888830_100000757381 [0,3,0,0,0,0|1,0,0]=4 34717 B12R0.585 COCCCOC(C)(C)CCCBr 7a_100009888830_100000740836 [0,3,0,0,0,0|1,0,0]=4 34718 B12R0.648 CCCCC(C)C(=O)CCCCF 1458a_100000725509_100000729493 [0,3,0,0,0,0|1,0,0]=4 34719 B12R0.648 CCCCC(C)C(=O)CCCCO 1458a_100000695505_200011215066 [0,3,0,0,0,0|1,0,0]=4 34720 B12R0.648 CCCCC(C)C(=O)CCCCO 1458a_100000725509_100000210776 [0,3,0,0,0,0|1,0,0]=4 34721 B12R0.648 CCCCC(C)C(=O)CCCOC 1458a_100000725509_100000740836 [0,3,0,0,0,0|1,0,0]=4 34722 B12R0.648 CCCCC(C)C(=O)CCCOC 1458a_100000741012_200011215066 [0,3,0,0,0,0|1,0,0]=4 34723 B12R0.648 CCCCC(C)C(=O)CCCSC 1458a_100000173376_200011215066 [0,3,0,0,0,0|1,0,0]=4 34724 B12R0.648 CCCCC(C)C(=O)CCOCC 1458a_100000725509_100011215890 [0,3,0,0,0,0|1,0,0]=4 34725 B12R0.648 CCCCC(C)C(=O)CCOCC 1458a_100000749530_200011215066 [0,3,0,0,0,0|1,0,0]=4 34726 B12R0.648 CCCCC(C)C(=O)CCSCC 1458a_100000230768_200011215066 [0,3,0,0,0,0|1,0,0]=4 34727 B12R0.648 CCCCC(C)C(=O)CCSCC 1458a_100000725509_100000757381 [0,3,0,0,0,0|1,0,0]=4 34728 B12R0.648 CCCCC(C)C(=O)COCCC 1458a_100000745993_200011215066 [0,3,0,0,0,0|1,0,0]=4 34729 B12R0.648 CCCCC(C)C(=O)CSCCC 1458a_100000217233_200011215066 [0,3,0,0,0,0|1,0,0]=4 34730 B12R0.648 CCCCC(C)N(C)CCCCO 2230a_100000717598_200011215066 [0,3,0,0,0,0|1,0,0]=4 34731 B12R0.648 CCCCC(C)N(C)CCCCO 269982a_100000717598_200011215066 [0,3,0,0,0,0|1,0,0]=4 34732 B12R0.648 CCCCC(C)N(C)CCCCO 270004a_100000717598_100000210087 [0,3,0,0,0,0|1,0,0]=4 34733 B12R0.648 CCCCC(C)N(C)CCCOC 2230a_100000224831_200011215066 [0,3,0,0,0,0|1,0,0]=4 34734 B12R0.648 CCCCC(C)N(C)CCCOC 269982a_100000224831_200011215066 [0,3,0,0,0,0|1,0,0]=4 34735 B12R0.648 CCCCC(C)N(C)CCCOC 270004a_100000224831_100000210087 [0,3,0,0,0,0|1,0,0]=4 34736 B12R0.648 CCCCC(O)C(=O)CCCCF 1458a_100000720857_100000729493 [0,3,0,0,0,0|1,0,0]=4 34737 B12R0.648 CCCCC(O)C(=O)CCCCO 1458a_100000720857_100000210776 [0,3,0,0,0,0|1,0,0]=4 34738 B12R0.648 CCCCC(O)C(=O)CCCOC 1458a_100000720857_100000740836 [0,3,0,0,0,0|1,0,0]=4 34739 B12R0.648 CCCCC(O)C(=O)CCOCC 1458a_100000720857_100011215890 [0,3,0,0,0,0|1,0,0]=4 34740 B12R0.648 CCCCC(O)C(=O)CCSCC 1458a_100000720857_100000757381 [0,3,0,0,0,0|1,0,0]=4 34741 B12R0.648 CCCCCC(=O)C(C)CCCC 1458a_100000212188_200011215066 [0,3,0,0,0,0|1,0,0]=4 34742 B12R0.648 CCCCCC(=O)C(C)CCCC 1458a_100000725509_100000210326 [0,3,0,0,0,0|1,0,0]=4 34743 B12R0.648 CCCCCC(=O)C(O)CCCC 1458a_100000720857_100000210326 [0,3,0,0,0,0|1,0,0]=4 34744 B12R0.648 CCCCCC(=O)C(O)CCSC 1458a_100000685904_100000210326 [0,3,0,0,0,0|1,0,0]=4 34745 B12R0.648 CCCCCC(=O)N(C)CCCC 11a_100000207549_100000212188 [0,3,0,0,0,0|1,0,0]=4 34746 B12R0.648 CCCCCC(=O)N(C)CCCC 1626a_100000207549_100000212188 [0,3,0,0,0,0|1,0,0]=4 34747 B12R0.648 CCCCCC(=O)N(C)CCCC 240690a_100000207549_100000212188 [0,3,0,0,0,0|1,0,0]=4 34748 B12R0.648 CCCCCC(=O)N(C)CCCC 527a_100000207549_100000212188 [0,3,0,0,0,0|1,0,0]=4 34749 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100000210183_200011218191 [0,3,0,0,0,0|1,0,0]=4 34750 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100011215998_100000210211 [0,3,0,0,0,0|1,0,0]=4 34751 B12R0.648 CCCCCC(C)N(C)CCCC 2230a_100000207549_200011218191 [0,3,0,0,0,0|1,0,0]=4 34752 B12R0.648 CCCCCC(C)N(C)CCCC 269982a_100000207549_200011218191 [0,3,0,0,0,0|1,0,0]=4 34753 B12R0.648 CCCCCC(C)N(C)CCCC 270004a_100000207549_100000211708 [0,3,0,0,0,0|1,0,0]=4 34754 B12R0.648 CCCCCN(C)C(=O)CCCC 11a_100000223495_100000210183 [0,3,0,0,0,0|1,0,0]=4 34755 B12R0.648 CCCCCN(C)C(=O)CCCC 1626a_100000223495_100000210183 [0,3,0,0,0,0|1,0,0]=4 34756 B12R0.648 CCCCCN(C)C(=O)CCCC 240690a_100000223495_100000210183 [0,3,0,0,0,0|1,0,0]=4 34757 B12R0.648 CCCCCN(C)C(=O)CCCC 527a_100000223495_100000210183 [0,3,0,0,0,0|1,0,0]=4 34758 B12R0.648 CCCCCN(C)C(C)CCCC 2230a_100000223495_200011215066 [0,3,0,0,0,0|1,0,0]=4 34759 B12R0.648 CCCCCN(C)C(C)CCCC 269982a_100000223495_200011215066 [0,3,0,0,0,0|1,0,0]=4 34760 B12R0.648 CCCCCN(C)C(C)CCCC 270004a_100000223495_100000210087 [0,3,0,0,0,0|1,0,0]=4 34761 B12R0.648 CCCCCN(C)C(C)CCOC 270004a_100000223495_100000742357 [0,3,0,0,0,0|1,0,0]=4 34762 B12R0.648 CCCCCN(C)C(C)CCSC 270004a_100000223495_100011217047 [0,3,0,0,0,0|1,0,0]=4 34763 B12R0.648 CCCCCN(C)C(C)CSCC 270004a_100000223495_200011216171 [0,3,0,0,0,0|1,0,0]=4 34764 B12R0.648 CCCCN(C)C(C)CCCSC 270004a_100000207549_100011399439 [0,3,0,0,0,0|1,0,0]=4 34765 B12R0.648 CCCCN(C)C(C)CCOCC 270004a_100000207549_200011216536 [0,3,0,0,0,0|1,0,0]=4 34766 B12R0.648 CCCCN(C)C(C)CSCCC 270004a_100000207549_100011343953 [0,3,0,0,0,0|1,0,0]=4 34767 B12R0.648 CCCCNC(=O)C(C)CCCC 11a_100000102301_100000725509 [0,3,0,0,0,0|1,0,0]=4 34768 B12R0.648 CCCCNC(=O)C(C)CCCC 1626a_100000102301_100000725509 [0,3,0,0,0,0|1,0,0]=4 34769 B12R0.648 CCCCNC(=O)C(C)CCCC 240690a_100000102301_100000725509 [0,3,0,0,0,0|1,0,0]=4 34770 B12R0.648 CCCCNC(=O)C(C)CCCC 527a_100000102301_100000725509 [0,3,0,0,0,0|1,0,0]=4 34771 B12R0.648 CCCCNC(=O)C(O)CCCC 240690a_100000102301_100000720857 [0,3,0,0,0,0|1,0,0]=4 34772 B12R0.648 CCCCNC(=O)C(O)CCCC 527a_100000102301_100000720857 [0,3,0,0,0,0|1,0,0]=4 34773 B12R0.648 CCCCOC(=O)C(C)OCCC 34a_100000038973_100000210303 [0,3,0,0,0,0|0,0,1]=4 34774 B12R0.648 CCCCOC(=O)C(C)OCCC 34a_100000210258_100000759602 [0,3,0,0,0,0|0,0,1]=4 34775 B12R0.648 CCCCOC(=O)C(C)OCCC 7a_100000038973_100000210303 [0,3,0,0,0,0|0,0,1]=4 34776 B12R0.648 CCCCOC(=O)C(C)SCCC 62a_100000210303_100000759602 [0,3,0,0,0,0|0,0,1]=4 34777 B12R0.648 CCCCOC(=O)C(C)SCCC 62a_100000759602_100000210303 [0,3,0,0,0,0|0,0,1]=4 34778 B12R0.648 CCCCOC(C)C(=O)NCCC 34a_100000210227_100000230305 [0,3,0,0,0,0|0,0,1]=4 34779 B12R0.648 CCCCOC(C)C(=O)NCCC 7a_100000210227_100000230305 [0,3,0,0,0,0|0,0,1]=4 34780 B12R0.648 CCCCOC(C)C(=O)OCCC 34a_100000037348_100000210210 [0,3,0,0,0,0|0,0,1]=4 34781 B12R0.648 CCCCOC(C)C(=O)OCCC 34a_100000210227_100000760410 [0,3,0,0,0,0|0,0,1]=4 34782 B12R0.648 CCCCOC(C)C(=O)OCCC 7a_100000037348_100000210211 [0,3,0,0,0,0|0,0,1]=4 34783 B12R0.648 CCCCOC(C)C(=O)OCCC 7a_100000210227_100000760410 [0,3,0,0,0,0|0,0,1]=4 34784 B12R0.648 CCCCSC(C)C(=O)CCCC 1458a_100000191163_100000210211 [0,3,0,0,0,0|0,1,0]=4 34785 B12R0.86 CCC(=O)C(C)OCCCC(C)C 7a_100000210774_100000742827 [0,3,0,0,0,0|0,0,1]=4 34786 B12R0.86 CCC(C)C(C)NCCCC(C)C 269862a_200000737386_100000210599 [0,3,0,0,0,0|1,0,0]=4 34787 B12R0.86 CCC(C)C(C)NCCCC(C)C 270004a_200000737386_100000210599 [0,3,0,0,0,0|1,0,0]=4 34788 B12R0.86 CCC(C)C(C)OCCCC(=O)C 7a_100011215189_100011215641 [0,3,0,0,0,0|0,0,1]=4 34789 B12R0.86 CCC(C)C(C)OCCCC(C)C 7a_100011215189_100011214892 [0,3,0,0,0,0|0,0,0]=3 34790 B12R0.86 CCC(C)C(C)OCCCC(C)O 7a_100011215189_200000718107 [0,3,0,0,0,0|0,0,0]=3 34791 B12R0.86 CCC(C)C(C)OCCCN(C)C 7a_100011215189_100000757444 [0,3,0,0,0,0|1,0,0]=4 34792 B12R0.86 CCC(C)C(C)OCCOC(C)C 7a_100011215189_100000211751 [0,3,0,0,0,0|1,0,0]=4 34793 B12R0.86 CCC(C)C(C)OCCSC(C)C 7a_100011215189_100000730970 [0,3,0,0,0,0|1,0,0]=4 34794 B12R0.86 CCN(C)C(C)COCCC(C)C 7a_100000732741_100000210626 [0,3,0,0,0,0|1,0,0]=4 34795 B12R0.86 CCN(C)C(C)COCCC(C)O 7a_100000732741_100012276601 [0,3,0,0,0,0|1,0,0]=4 34796 B12R0.110 CCC(C)C(C)C(C)OCCCF 7a_200011290770_100011934791 [0,3,0,0,0,0|1,0,0]=4 34797 B12R0.110 CCC(C)C(C)C(C)OCCCO 7a_200011290770_100011215043 [0,3,0,0,0,0|1,0,0]=4 34798 B12R0.110 CCC(C)C(C)C(C)OCCOC 7a_200011290770_100000233755 [0,3,0,0,0,0|1,0,0]=4 34799 B12R0.110 CCC(C)C(C)C(C)OCCSC 7a_200011290770_100000212216 [0,3,0,0,0,0|1,0,0]=4 34800 B12R0.110 CCCCCN(C)C(C)C(C)CC 270004a_100000223495_100000210599 [0,3,0,0,0,0|1,0,0]=4 34801 B12R0.110 CCCCOC(C)C(C)C(C)CC 7a_200011290770_100000210211 [0,3,0,0,0,0|0,0,0]=3 34802 B12R0.116 CCCCCNC(C)C(CC)CC 269862a_100000209983_100011393642 [0,3,0,0,0,0|1,0,0]=4 34803 B12R0.116 CCCCCNC(C)C(CC)CC 270004a_100000209983_100011393642 [0,3,0,0,0,0|1,0,0]=4 34804 B12R0.116 CCCCCOC(C)C(OC)OC 34a_100000210253_100011222894 [0,3,0,0,0,0|1,0,0]=4 34805 B12R0.116 CCCCCOC(C)C(OC)OC 34a_100000754440_100000718602 [0,3,0,0,0,0|1,0,0]=4 34806 B12R0.116 CCCCCOC(C)C(OC)OC 7a_100000754440_100000210326 [0,3,0,0,0,0|1,0,0]=4 34807 B12R0.116 CCCCOCC(=O)C(CC)CC 1458a_100000211163_100011995733 [0,3,0,0,0,0|0,0,1]=4 34808 B12R0.116 CCCCOCC(=O)C(CC)CC 1458a_100000757543_100000210505 [0,3,0,0,0,0|0,0,1]=4 34809 B12R0.116 CCCCOCC(=O)C(CC)OC 1458a_100000747056_100011995733 [0,3,0,0,0,0|0,0,1]=4 34810 B12R0.116 CCCCOCN(C)C(CC)CC 2230a_100000737045_100011995733 [0,3,0,0,0,0|1,0,0]=4 34811 B12R0.116 CCCCOCN(C)C(CC)CC 269982a_100000737045_100011995733 [0,3,0,0,0,0|1,0,0]=4 34812 B12R0.156 CCC(=O)C(C)OCCC(C)CC 7a_100011215188_100000742827 [0,3,0,0,0,0|0,0,1]=4 34813 B12R0.156 CCC(C)CCNC(C)C(C)CC 269862a_100020591266_100000210599 [0,3,0,0,0,0|1,0,0]=4 34814 B12R0.156 CCC(C)CCNC(C)C(C)CC 270004a_100020591266_100000210599 [0,3,0,0,0,0|1,0,0]=4 34815 B12R0.156 CCC(C)COCC(C)N(C)CC 7a_100000732741_100000748023 [0,3,0,0,0,0|1,0,0]=4 34816 B12R0.156 CCC(O)COCC(C)N(C)CC 7a_100000732741_100011218378 [0,3,0,0,0,0|1,0,0]=4 34817 B12R0.156 CC[C@H](C)COCC(C)N(C)CC 7a_100000732741_100009816398 [0,3,0,0,0,0|1,0,0]=4 34818 B12R0.200 CCCCCCC(OC)C(C)CC 34a_200011290773_200000210301 [0,3,0,0,0,0|1,0,0]=4 34819 B12R0.200 CCCCCCC(OC)C(C)CC 7a_200011290773_200000210301 [0,3,0,0,0,0|1,0,0]=4 34820 B12R0.200 CCCCCCC(O[13CH3])C(C)CC 34a_200011290773_200025704644 [0,3,0,0,0,0|1,0,0]=4 34821 B12R0.200 CCCCCCC(O[13CH3])C(C)CC 7a_200011290773_200025704644 [0,3,0,0,0,0|1,0,0]=4 34822 B12R0.200 CCCCCN[C@H](CO)[C@@H](C)CC 2230a_100011827617_100000210326 [0,3,0,0,0,0|1,0,0]=4 34823 B12R0.200 CCCCCOC(CC)C(=O)CC 34a_200011218131_100000718602 [0,3,0,0,0,0|0,0,1]=4 34824 B12R0.200 CCCCCOC(CC)C(=O)CC 7a_200011218131_100000210326 [0,3,0,0,0,0|0,0,1]=4 34825 B12R0.200 CCCCOCN(CC)C(C)CC 2230a_100000732650_100011995733 [0,3,0,0,0,0|1,0,0]=4 34826 B12R0.200 CCCCOCN(CC)C(C)CC 269982a_100000732650_100011995733 [0,3,0,0,0,0|1,0,0]=4 34827 B12R0.324 CCCCCOC(F)C(F)(F)OC 34a_100000210253_100000036909 [0,3,0,0,0,0|1,0,0]=4 34828 B12R0.324 CCCCOCC(=O)C(C)(C)CC 1458a_100000749717_100011995733 [0,3,0,0,0,0|0,0,1]=4 34829 B12R0.324 CCCCOCC(=O)C(C)(O)CC 1458a_100011219770_100011995733 [0,3,0,0,0,0|0,0,1]=4 34830 B12R0.324 CCCCOCC(=O)C(F)(F)CC 1458a_100000061896_100011995733 [0,3,0,0,0,0|0,0,1]=4 34831 B12R0.324 CCCCOCN(C)C(C)(C)CC 2230a_200000755171_100011995733 [0,3,0,0,0,0|1,0,0]=4 34832 B12R0.324 CCCCOCN(C)C(C)(C)CC 269982a_200000755171_100011995733 [0,3,0,0,0,0|1,0,0]=4 34833 B12R0.54 C=C(C)CCOC(C)C(C)CCC 34a_100000708338_100000730704 [0,3,0,0,0,0|0,0,1]=4 34834 B12R0.54 C=C(C)CCOC(C)C(C)CCC 7a_100000708338_100000730704 [0,3,0,0,0,0|0,0,1]=4 34835 B12R0.54 CCCC(C)C(=O)CCCC(C)C 1458a_100000210906_100011214892 [0,3,0,0,0,0|1,0,0]=4 34836 B12R0.54 CCCC(C)C(=O)CCCC(C)C 1458a_100011216857_100000766640 [0,3,0,0,0,0|1,0,0]=4 34837 B12R0.54 CCCC(C)C(=O)CCCC(C)O 1458a_100000210906_200000718107 [0,3,0,0,0,0|1,0,0]=4 34838 B12R0.54 CCCC(C)C(C)NCCC(C)C 270004a_100000210545_100011216282 [0,3,0,0,0,0|1,0,0]=4 34839 B12R0.54 CCCC(C)C(C)NCCC(C)O 270004a_200000755665_100011216282 [0,3,0,0,0,0|1,0,0]=4 34840 B12R0.54 CCCC(C)C(C)OCCC(=O)C 7a_100000708338_100000053229 [0,3,0,0,0,0|0,0,1]=4 34841 B12R0.54 CCCC(C)C(C)OCCC(C)C 34a_100000708338_100000210312 [0,3,0,0,0,0|0,0,0]=3 34842 B12R0.54 CCCC(C)C(C)OCCC(C)C 7a_100000708338_100000210626 [0,3,0,0,0,0|0,0,0]=3 34843 B12R0.54 CCCC(C)C(C)OCCC(C)O 34a_100000708338_100012276601 [0,3,0,0,0,0|0,0,0]=3 34844 B12R0.54 CCCC(C)C(C)OCCC(C)O 7a_100000708338_100012276601 [0,3,0,0,0,0|0,0,0]=3 34845 B12R0.54 CCCC(C)C(C)OCCN(C)C 7a_100000708338_100000755713 [0,3,0,0,0,0|1,0,0]=4 34846 B12R0.54 CCCC(C)C(C)OCOC(C)C 34a_100000708338_100000709892 [0,3,0,0,0,0|1,0,0]=4 34847 B12R0.54 CCC[C@H](O)C(=O)CCCC(C)C 1458a_100009822183_100011214892 [0,3,0,0,0,0|1,0,0]=4 34848 B12R0.54 CCC[C@H](O)C(=O)CCCC(C)O 1458a_100009822183_200000718107 [0,3,0,0,0,0|1,0,0]=4 34849 B12R0.109 CCCCCC(=O)C(CC)CCC 1458a_100000212188_100011219200 [0,3,0,0,0,0|1,0,0]=4 34850 B12R0.109 CCCCCC(=O)C(CC)CCC 1458a_100011416436_100000210326 [0,3,0,0,0,0|1,0,0]=4 34851 B12R0.109 CCCCCN(C)C(C#N)CCC 2230a_100000727963_100000210326 [0,3,0,0,0,0|1,0,0]=4 34852 B12R0.109 CCCCCN(C)C(CC)CCC 269982a_100000223495_100011219200 [0,3,0,0,0,0|1,0,0]=4 34853 B12R0.109 CCCCCN(C)C(CC)CCC 270004a_100000223495_100000687865 [0,3,0,0,0,0|1,0,0]=4 34854 B12R0.193 CCCC(C)C(=O)CCC(C)CC 1458a_100000701222_100000766640 [0,3,0,0,0,0|1,0,0]=4 34855 B12R0.193 CCCC(C)C(C)NCC(C)CC 270004a_100020588543_100011216282 [0,3,0,0,0,0|1,0,0]=4 34856 B12R0.193 CCCC(C)C(C)NCC(O)CC 270004a_100011218483_100011216282 [0,3,0,0,0,0|1,0,0]=4 34857 B12R0.193 CCCC(C)C(C)OCC(=O)CC 7a_100000708338_100000747405 [0,3,0,0,0,0|0,0,1]=4 34858 B12R0.193 CCCC(C)C(C)OCC(C)CC 34a_100000708338_100000748023 [0,3,0,0,0,0|0,0,0]=3 34859 B12R0.193 CCCC(C)C(C)OCC(C)CC 7a_100000708338_100000748023 [0,3,0,0,0,0|0,0,0]=3 34860 B12R0.193 CCCC(C)C(C)OCC(O)CC 34a_100000708338_100011218378 [0,3,0,0,0,0|0,0,0]=3 34861 B12R0.193 CCCC(C)C(C)OCC(O)CC 7a_100000708338_100011218378 [0,3,0,0,0,0|0,0,0]=3 34862 B12R0.193 CCCC(C)C(C)OCC(O)CO 34a_100000708338_100011219619 [0,3,0,0,0,0|1,0,0]=4 34863 B12R0.193 CCCC(C)C(C)OCC(O)CO 7a_100000708338_100011219619 [0,3,0,0,0,0|1,0,0]=4 34864 B12R0.193 CCCC(C)C(C)OC[C@@H](C)CC 34a_100000708338_100009816398 [0,3,0,0,0,0|0,0,0]=3 34865 B12R0.193 CCCC(C)C(C)OC[C@@H](C)CC 7a_100000708338_100009816398 [0,3,0,0,0,0|0,0,0]=3 34866 B12R0.193 CCCC(C)C(C)OC[C@@H](C)CO 34a_100000708338_100000059175 [0,3,0,0,0,0|1,0,0]=4 34867 B12R0.193 CCCC(C)C(C)OC[C@@H](C)CO 7a_100000708338_100000059175 [0,3,0,0,0,0|1,0,0]=4 34868 B12R0.193 CCCC(C)C(C)OC[C@@H](O)CF 34a_100000708338_100015614560 [0,3,0,0,0,0|1,0,0]=4 34869 B12R0.193 CCCC(C)C(C)OC[C@@H](O)CF 7a_100000708338_100015614560 [0,3,0,0,0,0|1,0,0]=4 34870 B12R0.193 CCCC(C)C(C)OC[C@@H](O)CO 34a_100000708338_100009815848 [0,3,0,0,0,0|1,0,0]=4 34871 B12R0.193 CCCC(C)C(C)OC[C@@H](O)CO 7a_100000708338_100009815848 [0,3,0,0,0,0|1,0,0]=4 34872 B12R0.294 CCCCCC(=O)C(C)(C)CCC 1458a_100011215034_100000210326 [0,3,0,0,0,0|1,0,0]=4 34873 B12R0.294 CCCCOC(F)C(F)(F)OCC 34a_100000210227_100000036135 [0,3,0,0,0,0|1,0,0]=4 34874 B12R0.363 C#CC(OCCCC)C(C)CCC 34a_200011216176_100000210210 [0,3,0,0,0,0|0,0,0]=3 34875 B12R0.363 C#CC(OCCCC)C(C)CCC 7a_200011216176_100000210211 [0,3,0,0,0,0|0,0,0]=3 34876 B12R0.363 C#CC(OCCCF)C(C)CCC 34a_200011216176_100011934791 [0,3,0,0,0,0|1,0,0]=4 34877 B12R0.363 C#CC(OCCCF)C(C)CCC 7a_200011216176_100011934791 [0,3,0,0,0,0|1,0,0]=4 34878 B12R0.363 C#CC(OCCCO)C(C)CCC 34a_200011216176_100000230001 [0,3,0,0,0,0|1,0,0]=4 34879 B12R0.363 C#CC(OCCCO)C(C)CCC 7a_200011216176_100011215043 [0,3,0,0,0,0|1,0,0]=4 34880 B12R0.363 C#CC(OCCOC)C(C)CCC 34a_200011216176_100011201679 [0,3,0,0,0,0|1,0,0]=4 34881 B12R0.363 C#CC(OCCOC)C(C)CCC 7a_200011216176_100000233755 [0,3,0,0,0,0|1,0,0]=4 34882 B12R0.363 C#CC(OCCSC)C(C)CCC 34a_200011216176_100000212216 [0,3,0,0,0,0|1,0,0]=4 34883 B12R0.363 C#CC(OCCSC)C(C)CCC 7a_200011216176_100000212216 [0,3,0,0,0,0|1,0,0]=4 34884 B12R0.363 CCCC(C)C(CC)OCCCF 34a_200011218412_100011934791 [0,3,0,0,0,0|1,0,0]=4 34885 B12R0.363 CCCC(C)C(CC)OCCCF 7a_200011218412_100011934791 [0,3,0,0,0,0|1,0,0]=4 34886 B12R0.363 CCCC(C)C(CC)OCCCO 34a_200011218412_100000230001 [0,3,0,0,0,0|1,0,0]=4 34887 B12R0.363 CCCC(C)C(CC)OCCCO 7a_200011218412_100011215043 [0,3,0,0,0,0|1,0,0]=4 34888 B12R0.363 CCCC(C)C(CC)OCCOC 34a_200011218412_100011201679 [0,3,0,0,0,0|1,0,0]=4 34889 B12R0.363 CCCC(C)C(CC)OCCOC 7a_200011218412_100000233755 [0,3,0,0,0,0|1,0,0]=4 34890 B12R0.363 CCCC(C)C(CC)OCCSC 34a_200011218412_100000212216 [0,3,0,0,0,0|1,0,0]=4 34891 B12R0.363 CCCC(C)C(CC)OCCSC 7a_200011218412_100000212216 [0,3,0,0,0,0|1,0,0]=4 34892 B12R0.363 CCCCOC(CC)C(C)CCC 34a_200011218412_100000210210 [0,3,0,0,0,0|0,0,0]=3 34893 B12R0.363 CCCCOC(CC)C(C)CCC 7a_200011218412_100000210211 [0,3,0,0,0,0|0,0,0]=3 34894 B12R0.658 CCCC(C)C(C)(C)OCCCF 7a_200011218223_100011934791 [0,3,0,0,0,0|1,0,0]=4 34895 B12R0.658 CCCC(C)C(C)(C)OCCCO 7a_200011218223_100011215043 [0,3,0,0,0,0|1,0,0]=4 34896 B12R0.658 CCCC(C)C(C)(C)OCCOC 7a_200011218223_100000233755 [0,3,0,0,0,0|1,0,0]=4 34897 B12R0.658 CCCC(C)C(C)(C)OCCSC 7a_200011218223_100000212216 [0,3,0,0,0,0|1,0,0]=4 34898 B12R0.658 CCCCOC(C)(C)C(C)CCC 7a_200011218223_100000210211 [0,3,0,0,0,0|0,0,0]=3 34899 B12R0.203 CCCC(OCCCCF)C(=O)N 34a_100011626294_100000729493 [0,3,0,0,0,0|1,0,0]=4 34900 B12R0.203 CCCC(OCCCCF)C(=O)N 7a_100011626294_100000729493 [0,3,0,0,0,0|1,0,0]=4 34901 B12R0.203 CCCC(OCCCCF)C(C)C 34a_200011215069_100000729493 [0,3,0,0,0,0|1,0,0]=4 34902 B12R0.203 CCCC(OCCCCF)C(C)C 7a_200011215069_100000729493 [0,3,0,0,0,0|1,0,0]=4 34903 B12R0.203 CCCC(OCCCCO)C(=O)N 34a_100011626294_100011216708 [0,3,0,0,0,0|1,0,0]=4 34904 B12R0.203 CCCC(OCCCCO)C(=O)N 7a_100011626294_100000210776 [0,3,0,0,0,0|1,0,0]=4 34905 B12R0.203 CCCC(OCCCCO)C(C)C 34a_200011215069_100011216708 [0,3,0,0,0,0|1,0,0]=4 34906 B12R0.203 CCCC(OCCCCO)C(C)C 7a_200011215069_100000210776 [0,3,0,0,0,0|1,0,0]=4 34907 B12R0.203 CCCC(OCCCOC)C(=O)N 34a_100011626294_100000740836 [0,3,0,0,0,0|1,0,0]=4 34908 B12R0.203 CCCC(OCCCOC)C(=O)N 7a_100011626294_100000740836 [0,3,0,0,0,0|1,0,0]=4 34909 B12R0.203 CCCC(OCCCOC)C(C)C 34a_200011215069_100000740836 [0,3,0,0,0,0|1,0,0]=4 34910 B12R0.203 CCCC(OCCCOC)C(C)C 7a_200011215069_100000740836 [0,3,0,0,0,0|1,0,0]=4 34911 B12R0.203 CCCC(OCCOCC)C(=O)N 34a_100011626294_100000210147 [0,3,0,0,0,0|1,0,0]=4 34912 B12R0.203 CCCC(OCCOCC)C(=O)N 7a_100011626294_100011215890 [0,3,0,0,0,0|1,0,0]=4 34913 B12R0.203 CCCC(OCCOCC)C(C)C 34a_200011215069_100000210147 [0,3,0,0,0,0|1,0,0]=4 34914 B12R0.203 CCCC(OCCOCC)C(C)C 7a_200011215069_100011215890 [0,3,0,0,0,0|1,0,0]=4 34915 B12R0.203 CCCC(OCCSCC)C(=O)N 34a_100011626294_100000757381 [0,3,0,0,0,0|1,0,0]=4 34916 B12R0.203 CCCC(OCCSCC)C(=O)N 7a_100011626294_100000757381 [0,3,0,0,0,0|1,0,0]=4 34917 B12R0.203 CCCC(OCCSCC)C(C)C 34a_200011215069_100000757381 [0,3,0,0,0,0|1,0,0]=4 34918 B12R0.203 CCCC(OCCSCC)C(C)C 7a_200011215069_100000757381 [0,3,0,0,0,0|1,0,0]=4 34919 B12R0.203 CCCCCCC(CCC)N(C)C 270004a_100102631434_200011215359 [0,3,0,0,0,0|1,0,0]=4 34920 B12R0.203 CCCCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210326 [0,3,0,0,0,0|1,0,0]=4 34921 B12R0.203 CCCCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000718602 [0,3,0,0,0,0|1,0,0]=4 34922 B12R0.203 CCCCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210326 [0,3,0,0,0,0|1,0,0]=4 34923 B12R0.203 CCCCCOC(CCC)C(=O)N 34a_100011626294_100000718602 [0,3,0,0,0,0|0,0,0]=3 34924 B12R0.203 CCCCCOC(CCC)C(=O)N 7a_100011626294_100000210326 [0,3,0,0,0,0|0,0,0]=3 34925 B12R0.203 CCCCCOC(CCC)C(C)C 34a_200011215069_100000718602 [0,3,0,0,0,0|0,0,0]=3 34926 B12R0.203 CCCCCOC(CCC)C(C)C 7a_200011215069_100000210326 [0,3,0,0,0,0|0,0,0]=3 34927 B12R0.203 CCCCCOC(OCC)C(F)F 34a_100000038436_100000718602 [0,3,0,0,0,0|1,0,0]=4 34928 B12R0.203 CCCCCOC(OCC)C(F)F 7a_100000038436_100000210326 [0,3,0,0,0,0|1,0,0]=4 34929 B12R0.203 CCCCOCN(CCC)C(C)C 2230a_106256033942_100011995733 [0,3,0,0,0,0|1,0,0]=4 34930 B12R0.203 CCCCOCN(CCC)C(C)C 269982a_106256033942_100011995733 [0,3,0,0,0,0|1,0,0]=4 34931 B12R0.205 C/C=C/C(CCC)OCCCCC 34a_200016264281_100000718602 [0,3,0,0,0,0|0,0,0]=3 34932 B12R0.205 C/C=C/C(CCC)OCCCCC 7a_200016264281_100000210326 [0,3,0,0,0,0|0,0,0]=3 34933 B12R0.205 C/C=C/C(CCC)OCCCCF 34a_200016264281_100000729493 [0,3,0,0,0,0|1,0,0]=4 34934 B12R0.205 C/C=C/C(CCC)OCCCCF 7a_200016264281_100000729493 [0,3,0,0,0,0|1,0,0]=4 34935 B12R0.205 C/C=C/C(CCC)OCCCCO 34a_200016264281_100011216708 [0,3,0,0,0,0|1,0,0]=4 34936 B12R0.205 C/C=C/C(CCC)OCCCCO 7a_200016264281_100000210776 [0,3,0,0,0,0|1,0,0]=4 34937 B12R0.205 C/C=C/C(CCC)OCCCOC 34a_200016264281_100000740836 [0,3,0,0,0,0|1,0,0]=4 34938 B12R0.205 C/C=C/C(CCC)OCCCOC 7a_200016264281_100000740836 [0,3,0,0,0,0|1,0,0]=4 34939 B12R0.205 C/C=C/C(CCC)OCCOCC 34a_200016264281_100000210147 [0,3,0,0,0,0|1,0,0]=4 34940 B12R0.205 C/C=C/C(CCC)OCCOCC 7a_200016264281_100011215890 [0,3,0,0,0,0|1,0,0]=4 34941 B12R0.205 C/C=C/C(CCC)OCCSCC 34a_200016264281_100000757381 [0,3,0,0,0,0|1,0,0]=4 34942 B12R0.205 C/C=C/C(CCC)OCCSCC 7a_200016264281_100000757381 [0,3,0,0,0,0|1,0,0]=4 34943 B12R0.205 C=CCC(CCC)OCCCCC 34a_100011215139_100000718602 [0,3,0,0,0,0|0,0,0]=3 34944 B12R0.205 C=CCC(CCC)OCCCCC 7a_100011215139_100000210326 [0,3,0,0,0,0|0,0,0]=3 34945 B12R0.205 C=CCC(CCC)OCCCCF 34a_100011215139_100000729493 [0,3,0,0,0,0|1,0,0]=4 34946 B12R0.205 C=CCC(CCC)OCCCCF 7a_100011215139_100000729493 [0,3,0,0,0,0|1,0,0]=4 34947 B12R0.205 C=CCC(CCC)OCCCCO 34a_100011215139_100011216708 [0,3,0,0,0,0|1,0,0]=4 34948 B12R0.205 C=CCC(CCC)OCCCCO 7a_100011215139_100000210776 [0,3,0,0,0,0|1,0,0]=4 34949 B12R0.205 C=CCC(CCC)OCCCOC 34a_100011215139_100000740836 [0,3,0,0,0,0|1,0,0]=4 34950 B12R0.205 C=CCC(CCC)OCCCOC 7a_100011215139_100000740836 [0,3,0,0,0,0|1,0,0]=4 34951 B12R0.205 C=CCC(CCC)OCCOCC 34a_100011215139_100000210147 [0,3,0,0,0,0|1,0,0]=4 34952 B12R0.205 C=CCC(CCC)OCCOCC 7a_100011215139_100011215890 [0,3,0,0,0,0|1,0,0]=4 34953 B12R0.205 C=CCC(CCC)OCCSCC 34a_100011215139_100000757381 [0,3,0,0,0,0|1,0,0]=4 34954 B12R0.205 C=CCC(CCC)OCCSCC 7a_100011215139_100000757381 [0,3,0,0,0,0|1,0,0]=4 34955 B12R0.205 CCCC(CCC)COCCCF 34a_200011215456_100011934791 [0,3,0,0,0,0|1,0,0]=4 34956 B12R0.205 CCCC(CCC)COCCCF 7a_200011215456_100011934791 [0,3,0,0,0,0|1,0,0]=4 34957 B12R0.205 CCCC(CCC)COCCCO 34a_200011215456_100000230001 [0,3,0,0,0,0|1,0,0]=4 34958 B12R0.205 CCCC(CCC)COCCCO 7a_200011215456_100011215043 [0,3,0,0,0,0|1,0,0]=4 34959 B12R0.205 CCCC(CCC)COCCOC 34a_200011215456_100011201679 [0,3,0,0,0,0|1,0,0]=4 34960 B12R0.205 CCCC(CCC)COCCOC 7a_200011215456_100000233755 [0,3,0,0,0,0|1,0,0]=4 34961 B12R0.205 CCCC(CCC)COCCSC 34a_200011215456_100000212216 [0,3,0,0,0,0|1,0,0]=4 34962 B12R0.205 CCCC(CCC)COCCSC 7a_200011215456_100000212216 [0,3,0,0,0,0|1,0,0]=4 34963 B12R0.205 CCCC(CCC)OCCCCBr 34a_100011216708_200011218217 [0,3,0,0,0,0|1,0,0]=4 34964 B12R0.205 CCCC(CCC)OCCCCCl 34a_100000210776_200011218217 [0,3,0,0,0,0|1,0,0]=4 34965 B12R0.205 CCCC(CCC)OCCCCCl 7a_100000210776_200011218217 [0,3,0,0,0,0|1,0,0]=4 34966 B12R0.205 CCCC(CCC)OCCCCF 34a_100011995726_200011218217 [0,3,0,0,0,0|1,0,0]=4 34967 B12R0.205 CCCC(CCC)OCCCCF 34a_200011218534_100000729493 [0,3,0,0,0,0|1,0,0]=4 34968 B12R0.205 CCCC(CCC)OCCCCF 7a_100011995726_200011218217 [0,3,0,0,0,0|1,0,0]=4 34969 B12R0.205 CCCC(CCC)OCCCCF 7a_200011218534_100000729493 [0,3,0,0,0,0|1,0,0]=4 34970 B12R0.205 CCCC(CCC)OCCCCI 34a_200012148704_200011218217 [0,3,0,0,0,0|1,0,0]=4 34971 B12R0.205 CCCC(CCC)OCCCCN 34a_100000750430_200011218217 [0,3,0,0,0,0|1,0,0]=4 34972 B12R0.205 CCCC(CCC)OCCCCO 34a_200011218534_100011216708 [0,3,0,0,0,0|1,0,0]=4 34973 B12R0.205 CCCC(CCC)OCCCCO 7a_200011218534_100000210776 [0,3,0,0,0,0|1,0,0]=4 34974 B12R0.205 CCCC(CCC)OCCCNC 34a_100000213112_200011218217 [0,3,0,0,0,0|1,0,0]=4 34975 B12R0.205 CCCC(CCC)OCCCOC 34a_100000740835_200011218217 [0,3,0,0,0,0|1,0,0]=4 34976 B12R0.205 CCCC(CCC)OCCCOC 34a_200011218534_100000740836 [0,3,0,0,0,0|1,0,0]=4 34977 B12R0.205 CCCC(CCC)OCCCOC 7a_200011218534_100000740836 [0,3,0,0,0,0|1,0,0]=4 34978 B12R0.205 CCCC(CCC)OCCCSC 34a_100000690336_200011218217 [0,3,0,0,0,0|1,0,0]=4 34979 B12R0.205 CCCC(CCC)OCCCSC 7a_100000690336_200011218217 [0,3,0,0,0,0|1,0,0]=4 34980 B12R0.205 CCCC(CCC)OCCOCC 34a_100000210136_200011218217 [0,3,0,0,0,0|1,0,0]=4 34981 B12R0.205 CCCC(CCC)OCCOCC 34a_200011218534_100000210147 [0,3,0,0,0,0|1,0,0]=4 34982 B12R0.205 CCCC(CCC)OCCOCC 7a_100000210136_200011218217 [0,3,0,0,0,0|1,0,0]=4 34983 B12R0.205 CCCC(CCC)OCCOCC 7a_200011218534_100011215890 [0,3,0,0,0,0|1,0,0]=4 34984 B12R0.205 CCCC(CCC)OCCSCC 34a_100000212035_200011218217 [0,3,0,0,0,0|1,0,0]=4 34985 B12R0.205 CCCC(CCC)OCCSCC 34a_200011218534_100000757381 [0,3,0,0,0,0|1,0,0]=4 34986 B12R0.205 CCCC(CCC)OCCSCC 7a_100000212035_200011218217 [0,3,0,0,0,0|1,0,0]=4 34987 B12R0.205 CCCC(CCC)OCCSCC 7a_200011218534_100000757381 [0,3,0,0,0,0|1,0,0]=4 34988 B12R0.205 CCCCCCC(CCC)NCC 270004a_100015525214_200011215359 [0,3,0,0,0,0|1,0,0]=4 34989 B12R0.205 CCCCCCC(CCC)OCC 34a_200011215193_100000210202 [0,3,0,0,0,0|1,0,0]=4 34990 B12R0.205 CCCCCCC(CCC)OCC 7a_200011215193_100000210202 [0,3,0,0,0,0|1,0,0]=4 34991 B12R0.205 CCCCCCC(CCC)OCF 34a_200011215193_100015361967 [0,3,0,0,0,0|1,0,0]=4 34992 B12R0.205 CCCCCCC(CCC)OCF 7a_200011215193_100015361967 [0,3,0,0,0,0|1,0,0]=4 34993 B12R0.205 CCCCCNC(CCC)CCC 2230a_100011207992_100000210326 [0,3,0,0,0,0|1,0,0]=4 34994 B12R0.205 CCCCCNC(CCC)CCC 270004a_100000209983_100000210088 [0,3,0,0,0,0|1,0,0]=4 34995 B12R0.205 CCCCCNC(CCC)CCC 34a_100011207992_100000718602 [0,3,0,0,0,0|1,0,0]=4 34996 B12R0.205 CCCCCN[C@@H](CCC)CCO 2230a_100015193777_100000210326 [0,3,0,0,0,0|1,0,0]=4 34997 B12R0.205 CCCCCN[C@@H](CCC)CCO 34a_100015193777_100000718602 [0,3,0,0,0,0|1,0,0]=4 34998 B12R0.205 CCCCCOC(CCC)CCC 34a_100000210253_200011218217 [0,3,0,0,0,0|0,0,0]=3 34999 B12R0.205 CCCCCOC(CCC)CCC 34a_200011218534_100000718602 [0,3,0,0,0,0|0,0,0]=3 35000 B12R0.205 CCCCCOC(CCC)CCC 7a_100000210253_200011218217 [0,3,0,0,0,0|0,0,0]=3 35001 B12R0.205 CCCCCOC(CCC)CCC 7a_200011218534_100000210326 [0,3,0,0,0,0|0,0,0]=3 35002 B12R0.205 CCCCCOC(COC)COC 34a_100000766098_100000718602 [0,3,0,0,0,0|1,0,0]=4 35003 B12R0.205 CCCCCOC(CSC)CSC 7a_200000036665_100000210326 [0,3,0,0,0,0|1,0,0]=4 35004 B12R0.205 CCCCCSC(CCC)CCC 62a_100000210326_200011218217 [0,3,0,0,0,0|0,1,0]=4 35005 B12R0.205 CCCCCSC(CCC)CCC 62a_200011218217_100000210326 [0,3,0,0,0,0|0,1,0]=4 35006 B12R0.205 CCCCOCC(CCC)CCC 34a_200011215456_100000210210 [0,3,0,0,0,0|0,0,0]=3 35007 B12R0.205 CCCCOCC(CCC)CCC 7a_200011215456_100000210211 [0,3,0,0,0,0|0,0,0]=3 35008 B12R0.205 CCCCOCC(OCC)OCC 34a_100000210227_100000210512 [0,3,0,0,0,0|1,0,0]=4 35009 B12R0.205 CCCCOCC(OCC)OCC 34a_100011216334_100000210210 [0,3,0,0,0,0|1,0,0]=4 35010 B12R0.205 CCCCOCC(OCC)OCC 7a_100000210227_100000210512 [0,3,0,0,0,0|1,0,0]=4 35011 B12R0.205 CCCCOCC(OCC)OCC 7a_100011216334_100000210211 [0,3,0,0,0,0|1,0,0]=4 35012 B12R0.205 CCCCOCN(CCC)CCC 2230a_100000210455_100011995733 [0,3,0,0,0,0|1,0,0]=4 35013 B12R0.205 CCCCOCN(CCC)CCC 269982a_100000210455_100011995733 [0,3,0,0,0,0|1,0,0]=4 35014 B12R0.205 CCCCOCN(CCC)CCO 2230a_100000211420_100011995733 [0,3,0,0,0,0|1,0,0]=4 35015 B12R0.205 CCCCOCN(CCC)CCO 269982a_100000211420_100011995733 [0,3,0,0,0,0|1,0,0]=4 35016 B12R0.224 C#CC(CCC)OCCCC(=O)C 34a_200011217317_100000685027 [0,3,0,0,0,0|0,0,1]=4 35017 B12R0.224 C#CC(CCC)OCCCC(=O)C 7a_200011217317_100011215641 [0,3,0,0,0,0|0,0,1]=4 35018 B12R0.224 C#CC(CCC)OCCCC(C)C 34a_200011217317_100011214892 [0,3,0,0,0,0|0,0,0]=3 35019 B12R0.224 C#CC(CCC)OCCCC(C)C 7a_200011217317_100011214892 [0,3,0,0,0,0|0,0,0]=3 35020 B12R0.224 C#CC(CCC)OCCCC(C)O 34a_200011217317_200000718107 [0,3,0,0,0,0|0,0,0]=3 35021 B12R0.224 C#CC(CCC)OCCCC(C)O 7a_200011217317_200000718107 [0,3,0,0,0,0|0,0,0]=3 35022 B12R0.224 C#CC(CCC)OCCCN(C)C 7a_200011217317_100000757444 [0,3,0,0,0,0|1,0,0]=4 35023 B12R0.224 C#CC(CCC)OCCOC(C)C 34a_200011217317_100000211751 [0,3,0,0,0,0|1,0,0]=4 35024 B12R0.224 C#CC(CCC)OCCOC(C)C 7a_200011217317_100000211751 [0,3,0,0,0,0|1,0,0]=4 35025 B12R0.224 C#CC(CCC)OCCSC(C)C 34a_200011217317_100000730970 [0,3,0,0,0,0|1,0,0]=4 35026 B12R0.224 C#CC(CCC)OCCSC(C)C 7a_200011217317_100000730970 [0,3,0,0,0,0|1,0,0]=4 35027 B12R0.224 C=CC(CCC)OCCCC(=O)C 34a_100011216692_100000685027 [0,3,0,0,0,0|0,0,1]=4 35028 B12R0.224 C=CC(CCC)OCCCC(=O)C 7a_100011216692_100011215641 [0,3,0,0,0,0|0,0,1]=4 35029 B12R0.224 C=CC(CCC)OCCCC(C)C 34a_100011216692_100011214892 [0,3,0,0,0,0|0,0,0]=3 35030 B12R0.224 C=CC(CCC)OCCCC(C)C 7a_100011216692_100011214892 [0,3,0,0,0,0|0,0,0]=3 35031 B12R0.224 C=CC(CCC)OCCCC(C)O 34a_100011216692_200000718107 [0,3,0,0,0,0|0,0,0]=3 35032 B12R0.224 C=CC(CCC)OCCCC(C)O 7a_100011216692_200000718107 [0,3,0,0,0,0|0,0,0]=3 35033 B12R0.224 C=CC(CCC)OCCCN(C)C 7a_100011216692_100000757444 [0,3,0,0,0,0|1,0,0]=4 35034 B12R0.224 C=CC(CCC)OCCOC(C)C 34a_100011216692_100000211751 [0,3,0,0,0,0|1,0,0]=4 35035 B12R0.224 C=CC(CCC)OCCOC(C)C 7a_100011216692_100000211751 [0,3,0,0,0,0|1,0,0]=4 35036 B12R0.224 C=CC(CCC)OCCSC(C)C 34a_100011216692_100000730970 [0,3,0,0,0,0|1,0,0]=4 35037 B12R0.224 C=CC(CCC)OCCSC(C)C 7a_100011216692_100000730970 [0,3,0,0,0,0|1,0,0]=4 35038 B12R0.224 CCC(COC)OCCCC(C)C 7a_200011214946_100011214892 [0,3,0,0,0,0|1,0,0]=4 35039 B12R0.224 CCC(COC)OCCCC(C)O 7a_200011214946_200000718107 [0,3,0,0,0,0|1,0,0]=4 35040 B12R0.224 CCCC(C#N)OCCCC(=O)C 34a_100000686963_100000685027 [0,3,0,0,0,0|0,0,1]=4 35041 B12R0.224 CCCC(C#N)OCCCC(=O)C 7a_100000686963_100011215641 [0,3,0,0,0,0|0,0,1]=4 35042 B12R0.224 CCCC(C#N)OCCCC(C)C 34a_100000686963_100011214892 [0,3,0,0,0,0|0,0,0]=3 35043 B12R0.224 CCCC(C#N)OCCCC(C)C 7a_100000686963_100011214892 [0,3,0,0,0,0|0,0,0]=3 35044 B12R0.224 CCCC(C#N)OCCCC(C)O 34a_100000686963_200000718107 [0,3,0,0,0,0|0,0,0]=3 35045 B12R0.224 CCCC(C#N)OCCCC(C)O 7a_100000686963_200000718107 [0,3,0,0,0,0|0,0,0]=3 35046 B12R0.224 CCCC(C#N)OCCCN(C)C 7a_100000686963_100000757444 [0,3,0,0,0,0|1,0,0]=4 35047 B12R0.224 CCCC(C#N)OCCOC(C)C 34a_100000686963_100000211751 [0,3,0,0,0,0|1,0,0]=4 35048 B12R0.224 CCCC(C#N)OCCOC(C)C 7a_100000686963_100000211751 [0,3,0,0,0,0|1,0,0]=4 35049 B12R0.224 CCCC(C#N)OCCSC(C)C 34a_100000686963_100000730970 [0,3,0,0,0,0|1,0,0]=4 35050 B12R0.224 CCCC(C#N)OCCSC(C)C 7a_100000686963_100000730970 [0,3,0,0,0,0|1,0,0]=4 35051 B12R0.224 CCCC(CC)NCCCC(C)C 2230a_100000747048_100011214892 [0,3,0,0,0,0|1,0,0]=4 35052 B12R0.224 CCCC(CC)NCCCC(C)C 270004a_200000737386_100000687865 [0,3,0,0,0,0|1,0,0]=4 35053 B12R0.224 CCCC(CC)NCCCC(C)O 2230a_100000747048_200000718107 [0,3,0,0,0,0|1,0,0]=4 35054 B12R0.224 CCCC(CC)OCCCC(=O)C 34a_100000687864_100000685027 [0,3,0,0,0,0|0,0,1]=4 35055 B12R0.224 CCCC(CC)OCCCC(=O)C 7a_100000687864_100011215641 [0,3,0,0,0,0|0,0,1]=4 35056 B12R0.224 CCCC(CC)OCCCC(=O)C 7a_100000759063_100011219200 [0,3,0,0,0,0|0,0,1]=4 35057 B12R0.224 CCCC(CC)OCCCC(C)C 34a_100000687864_100011214892 [0,3,0,0,0,0|0,0,0]=3 35058 B12R0.224 CCCC(CC)OCCCC(C)C 7a_100000210774_100011219200 [0,3,0,0,0,0|0,0,0]=3 35059 B12R0.224 CCCC(CC)OCCCC(C)C 7a_100000687864_100011214892 [0,3,0,0,0,0|0,0,0]=3 35060 B12R0.224 CCCC(CC)OCCCC(C)O 34a_100000687864_200000718107 [0,3,0,0,0,0|0,0,0]=3 35061 B12R0.224 CCCC(CC)OCCCC(C)O 7a_100000687864_200000718107 [0,3,0,0,0,0|0,0,0]=3 35062 B12R0.224 CCCC(CC)OCCCN(C)C 7a_100000687864_100000757444 [0,3,0,0,0,0|1,0,0]=4 35063 B12R0.224 CCCC(CC)OCCOC(C)C 34a_100000687864_100000211751 [0,3,0,0,0,0|1,0,0]=4 35064 B12R0.224 CCCC(CC)OCCOC(C)C 7a_100000211219_100011219200 [0,3,0,0,0,0|1,0,0]=4 35065 B12R0.224 CCCC(CC)OCCOC(C)C 7a_100000687864_100000211751 [0,3,0,0,0,0|1,0,0]=4 35066 B12R0.224 CCCC(CC)OCCSC(C)C 34a_100000687864_100000730970 [0,3,0,0,0,0|1,0,0]=4 35067 B12R0.224 CCCC(CC)OCCSC(C)C 7a_100000687864_100000730970 [0,3,0,0,0,0|1,0,0]=4 35068 B12R0.224 CCCC(CC)OCCSC(C)C 7a_200011212901_100011219200 [0,3,0,0,0,0|1,0,0]=4 35069 B12R0.224 CCCC(CC)SCCCC(C)C 62a_100011214892_100011219200 [0,3,0,0,0,0|0,1,0]=4 35070 B12R0.224 CCCC(CC)SCCCC(C)C 62a_100011219200_100011214892 [0,3,0,0,0,0|0,1,0]=4 35071 B12R0.224 CCCC(CC)SCCCC(C)O 62a_100011219200_200000718107 [0,3,0,0,0,0|0,1,0]=4 35072 B12R0.224 CCCC(CC)SCCCC(C)O 62a_200000718107_100011219200 [0,3,0,0,0,0|0,1,0]=4 35073 B12R0.224 CCC[C@@H](CO)NCCCC(C)C 2230a_100000732646_100011214892 [0,3,0,0,0,0|1,0,0]=4 35074 B12R0.224 CCC[C@@H](CO)NCCCC(C)C 34a_100000732646_100011214892 [0,3,0,0,0,0|1,0,0]=4 35075 B12R0.224 CCC[C@@H](CO)NCCCC(C)O 2230a_100000732646_200000718107 [0,3,0,0,0,0|1,0,0]=4 35076 B12R0.224 CCC[C@@H](CO)NCCCC(C)O 34a_100000732646_200000718107 [0,3,0,0,0,0|1,0,0]=4 35077 B12R0.224 COCC(CCl)OCCCC(C)C 34a_100011215053_100011214892 [0,3,0,0,0,0|1,0,0]=4 35078 B12R0.224 COCC(CCl)OCCCC(C)O 34a_100011215053_200000718107 [0,3,0,0,0,0|1,0,0]=4 35079 B12R0.224 COCC(CN)OCCCC(C)C 34a_100000756049_100011214892 [0,3,0,0,0,0|1,0,0]=4 35080 B12R0.224 COCC(CN)OCCCC(C)O 34a_100000756049_200000718107 [0,3,0,0,0,0|1,0,0]=4 35081 B12R0.229 CCCC(CC)NCCC(C)CC 270004a_100020591266_100000687865 [0,3,0,0,0,0|1,0,0]=4 35082 B12R0.229 CCCC(CC)OCCC(C)CC 7a_100011215188_100011219200 [0,3,0,0,0,0|0,0,0]=3 35083 B12R0.229 CCCC(CC)OCCC(C)OC 7a_100000764861_100011219200 [0,3,0,0,0,0|1,0,0]=4 35084 B12R0.599 CCCC(C)(CC)OCCCCCl 7a_100000210776_200000040151 [0,3,0,0,0,0|1,0,0]=4 35085 B12R0.599 CCCC(C)(CC)OCCCCF 7a_100011995726_200000040151 [0,3,0,0,0,0|1,0,0]=4 35086 B12R0.599 CCCC(C)(CC)OCCCCF 7a_200011215934_100000729493 [0,3,0,0,0,0|1,0,0]=4 35087 B12R0.599 CCCC(C)(CC)OCCCCO 7a_200011215934_100000210776 [0,3,0,0,0,0|1,0,0]=4 35088 B12R0.599 CCCC(C)(CC)OCCCOC 7a_200011215934_100000740836 [0,3,0,0,0,0|1,0,0]=4 35089 B12R0.599 CCCC(C)(CC)OCCCSC 7a_100000690336_200000040151 [0,3,0,0,0,0|1,0,0]=4 35090 B12R0.599 CCCC(C)(CC)OCCOCC 7a_100000210136_200000040151 [0,3,0,0,0,0|1,0,0]=4 35091 B12R0.599 CCCC(C)(CC)OCCOCC 7a_200011215934_100011215890 [0,3,0,0,0,0|1,0,0]=4 35092 B12R0.599 CCCC(C)(CC)OCCSCC 7a_100000212035_200000040151 [0,3,0,0,0,0|1,0,0]=4 35093 B12R0.599 CCCC(C)(CC)OCCSCC 7a_200011215934_100000757381 [0,3,0,0,0,0|1,0,0]=4 35094 B12R0.599 CCCCCOC(C)(CC)CCC 7a_100000210253_200000040151 [0,3,0,0,0,0|0,0,0]=3 35095 B12R0.599 CCCCCOC(C)(CC)CCC 7a_200011215934_100000210326 [0,3,0,0,0,0|0,0,0]=3 35096 B12R0.599 CCCCCSC(C)(CC)CCC 62a_100000210326_200000040151 [0,3,0,0,0,0|0,1,0]=4 35097 B12R0.599 CCCCCSC(C)(CC)CCC 62a_200000040151_100000210326 [0,3,0,0,0,0|0,1,0]=4 35098 B12R0.176 CCCC(C)(C)COCC(=O)CC 7a_100011995695_100000747405 [0,3,0,0,0,0|0,0,1]=4 35099 B12R0.176 CCCC(C)(C)COCC(C)CC 7a_100011995695_100000748023 [0,3,0,0,0,0|0,0,0]=3 35100 B12R0.176 CCCC(C)(C)COCC(O)CC 7a_100011995695_100011218378 [0,3,0,0,0,0|0,0,0]=3 35101 B12R0.176 CCCC(C)(C)COCC(O)CO 7a_100011995695_100011219619 [0,3,0,0,0,0|1,0,0]=4 35102 B12R0.176 CCCC(C)(C)COC[C@@H](C)CC 7a_100011995695_100009816398 [0,3,0,0,0,0|0,0,0]=3 35103 B12R0.176 CCCC(C)(C)COC[C@@H](C)CO 7a_100011995695_100000059175 [0,3,0,0,0,0|1,0,0]=4 35104 B12R0.176 CCCC(C)(C)COC[C@@H](O)CF 7a_100011995695_100015614560 [0,3,0,0,0,0|1,0,0]=4 35105 B12R0.176 CCCC(C)(C)COC[C@@H](O)CO 7a_100011995695_100009815848 [0,3,0,0,0,0|1,0,0]=4 35106 B12R0.176 CCNC(C)(C)COCC(C)CC 7a_100000747347_100000748023 [0,3,0,0,0,0|1,0,0]=4 35107 B12R0.176 CCNC(C)(C)COCC(O)CC 7a_100000747347_100011218378 [0,3,0,0,0,0|1,0,0]=4 35108 B12R0.176 CCNC(C)(C)COC[C@@H](C)CC 7a_100000747347_100009816398 [0,3,0,0,0,0|1,0,0]=4 35109 B12R0.265 CCC(CC)COCC(C)CCN 34a_106354213184_100011215472 [0,3,0,0,0,0|1,0,0]=4 35110 B12R0.265 CCC(CC)COCC(N)COC 34a_100000724102_100011215472 [0,3,0,0,0,0|1,0,0]=4 35111 B12R0.265 CCC(CC)COCC(O)COC 7a_100000703878_100011215053 [0,3,0,0,0,0|1,0,0]=4 35112 B12R0.265 CCC(COCC(O)COC)OC 34a_100011934954_100011215053 [0,3,0,0,0,0|1,0,0]=4 35113 B12R0.265 CCC(COCC(O)COC)OC 7a_100011934954_100011215053 [0,3,0,0,0,0|1,0,0]=4 35114 B12R0.265 CCCC(=O)COCC(CC)CC 7a_100000703878_100000747444 [0,3,0,0,0,0|0,0,1]=4 35115 B12R0.265 CCCC(=O)COCC(CC)OC 7a_100011934954_100000747444 [0,3,0,0,0,0|0,0,1]=4 35116 B12R0.265 CCCC(C)CNCC(CC)CC 2230a_100102946423_100011216630 [0,3,0,0,0,0|1,0,0]=4 35117 B12R0.265 CCCC(C)CNCC(CC)CC 270004a_100102946423_100000243154 [0,3,0,0,0,0|1,0,0]=4 35118 B12R0.265 CCCC(C)CNCC(CC)OC 270004a_100000731041_100000243154 [0,3,0,0,0,0|1,0,0]=4 35119 B12R0.265 CCCC(C)COCC(CC)CC 34a_100000688023_100011215472 [0,3,0,0,0,0|0,0,0]=3 35120 B12R0.265 CCCC(C)COCC(CC)CC 7a_100000688023_100011215472 [0,3,0,0,0,0|0,0,0]=3 35121 B12R0.265 CCCC(C)COCC(CC)CC 7a_100000703878_100011216630 [0,3,0,0,0,0|0,0,0]=3 35122 B12R0.265 CCCC(C)COCC(CC)OC 34a_100011934954_100011216630 [0,3,0,0,0,0|0,0,0]=3 35123 B12R0.265 CCCC(C)COCC(CC)OC 7a_100011934954_100011216630 [0,3,0,0,0,0|0,0,0]=3 35124 B12R0.265 CCCC(C)COCC(OC)OC 34a_100000688023_100000211822 [0,3,0,0,0,0|1,0,0]=4 35125 B12R0.265 CCCC(C)COCC(OC)OC 34a_100011216393_100011216630 [0,3,0,0,0,0|1,0,0]=4 35126 B12R0.265 CCCC(C)COCC(OC)OC 7a_100000688023_100000751394 [0,3,0,0,0,0|1,0,0]=4 35127 B12R0.265 CCCC(C)COCN(CC)CC 7a_200015374951_100011216630 [0,3,0,0,0,0|1,0,0]=4 35128 B12R0.265 CCCC(C)CSCC(CC)CC 62a_100011215472_100011216630 [0,3,0,0,0,0|0,1,0]=4 35129 B12R0.265 CCCC(C)CSCC(CC)CC 62a_100011216630_100011215472 [0,3,0,0,0,0|0,1,0]=4 35130 B12R0.265 CCCC(C)OCCC(OC)OC 34a_100000764384_100000139399 [0,3,0,0,0,0|1,0,0]=4 35131 B12R0.265 CCCC(C)OCCC(OC)OC 7a_100000764384_100009813347 [0,3,0,0,0,0|1,0,0]=4 35132 B12R0.265 CCCC(C)OCCN(CC)CC 7a_100000764384_100000700428 [0,3,0,0,0,0|1,0,0]=4 35133 B12R0.265 CCCC(C)OCCN(CC)CC 7a_100016990331_100000766640 [0,3,0,0,0,0|1,0,0]=4 35134 B12R0.265 CCC[C@H](N)COCC(CC)CC 34a_100000732646_100011215472 [0,3,0,0,0,0|0,0,0]=3 35135 B12R0.265 CCC[C@H](N)COCC(OC)OC 34a_100000732646_100000211822 [0,3,0,0,0,0|1,0,0]=4 35136 B12R0.279 CC(CCO)OCCC(N)C(C)C 34a_100161115045_100009893172 [0,3,0,0,0,0|1,0,0]=4 35137 B12R0.279 CCCC(C)CNCC(O)C(C)C 2230a_100000759067_100011216630 [0,3,0,0,0,0|1,0,0]=4 35138 B12R0.279 CCCC(C)CNCC(O)C(C)C 270004a_100000759067_100000243154 [0,3,0,0,0,0|1,0,0]=4 35139 B12R0.279 CCCC(C)CNCC(O)C(C)C 34a_100000759067_100011216630 [0,3,0,0,0,0|1,0,0]=4 35140 B12R0.279 CCCC(C)COCC(=O)C(C)C 34a_100000688023_100000753385 [0,3,0,0,0,0|0,0,1]=4 35141 B12R0.279 CCCC(C)COCC(=O)C(C)C 7a_100000688023_100000753385 [0,3,0,0,0,0|0,0,1]=4 35142 B12R0.279 CCCC(C)COCC(C)C(=O)C 34a_100000032740_100011216630 [0,3,0,0,0,0|0,0,1]=4 35143 B12R0.279 CCCC(C)COCC(C)C(=O)C 7a_100000032740_100011216630 [0,3,0,0,0,0|0,0,1]=4 35144 B12R0.279 CCCC(C)COC[C@H](N)C(C)C 34a_100011830312_100011216630 [0,3,0,0,0,0|0,0,0]=3 35145 B12R0.279 CCCC(C)OCCC(N)C(C)C 34a_100161115045_100000766640 [0,3,0,0,0,0|0,0,0]=3 35146 B12R0.279 CCC[C@H](N)COCC(=O)C(C)C 34a_100000732646_100000753385 [0,3,0,0,0,0|0,0,1]=4 35147 B12R0.279 COCC(C)OCCC(N)C(C)C 34a_100161115045_100000765312 [0,3,0,0,0,0|1,0,0]=4 35148 B12R0.279 COCC(O)COC[C@H](N)C(C)C 34a_100011830312_100011215053 [0,3,0,0,0,0|1,0,0]=4 35149 B12R0.573 CCC(C)(C)COCC(O)COC 7a_100000765029_100011215053 [0,3,0,0,0,0|1,0,0]=4 35150 B12R0.573 CCCC(=O)COCC(C)(C)CC 7a_100000765029_100000747444 [0,3,0,0,0,0|0,0,1]=4 35151 B12R0.573 CCCC(C)COCC(C)(C)CC 7a_100000765029_100011216630 [0,3,0,0,0,0|0,0,0]=3 35152 B12R0.573 CCCC(C)COCC(C)(C)CCl 7a_100011217199_100011216630 [0,3,0,0,0,0|1,0,0]=4 35153 B12R0.573 CCCC(C)COCC(C)(C)CO 34a_100000688023_100009813988 [0,3,0,0,0,0|1,0,0]=4 35154 B12R0.573 CCCC(C)COCC(C)(C)CO 7a_100000688023_100009813988 [0,3,0,0,0,0|1,0,0]=4 35155 B12R0.573 CCCC(C)COCC(C)(C)OC 34a_100000688023_100000701081 [0,3,0,0,0,0|1,0,0]=4 35156 B12R0.573 CCCC(C)COCC(F)(F)CN 34a_100000703232_100011216630 [0,3,0,0,0,0|1,0,0]=4 35157 B12R0.573 CCCC(C)OCCC(C)(C)OC 7a_100000699976_100000766640 [0,3,0,0,0,0|1,0,0]=4 35158 B12R0.573 CCCC(C)OCCS(=O)(=O)CC 34a_100000764384_100000756660 [0,3,0,0,0,0|1,0,0]=4 35159 B12R0.573 CCCC(C)OCCS(=O)(=O)CC 34a_200011216379_100000766640 [0,3,0,0,0,0|1,0,0]=4 35160 B12R0.573 CCCC(C)OCCS(=O)(=O)CC 7a_100000764384_100000756660 [0,3,0,0,0,0|1,0,0]=4 35161 B12R0.573 CCCC(C)OCCS(=O)(=O)CC 7a_200011216379_100000766640 [0,3,0,0,0,0|1,0,0]=4 35162 B12R0.573 CCC[C@H](N)COCC(C)(C)CO 34a_100000732646_100009813988 [0,3,0,0,0,0|1,0,0]=4 35163 B12R0.573 CCC[C@H](N)COCC(C)(C)OC 34a_100000732646_100000701081 [0,3,0,0,0,0|1,0,0]=4 35164 B12R0.72 CC(CCBr)OCCCC(C)(C)O 34a_100012276601_100009888830 [0,3,0,0,0,0|1,0,0]=4 35165 B12R0.72 CC(CCN)COCCC(C)(C)C 34a_106354213184_100000755188 [0,3,0,0,0,0|1,0,0]=4 35166 B12R0.72 CC(CCN)COCCC(C)(C)O 34a_106354213184_100000702414 [0,3,0,0,0,0|1,0,0]=4 35167 B12R0.72 CCCC(=O)COCCC(C)(C)C 7a_100000765024_100000747444 [0,3,0,0,0,0|0,0,1]=4 35168 B12R0.72 CCCC(C)CNCCC(C)(C)C 2230a_100000738805_100011216630 [0,3,0,0,0,0|1,0,0]=4 35169 B12R0.72 CCCC(C)CNCCC(C)(C)C 270004a_100000738805_100000243154 [0,3,0,0,0,0|1,0,0]=4 35170 B12R0.72 CCCC(C)CNCCC(C)(C)F 2230a_100016253952_100011216630 [0,3,0,0,0,0|1,0,0]=4 35171 B12R0.72 CCCC(C)CNCCC(C)(C)F 270004a_100016253952_100000243154 [0,3,0,0,0,0|1,0,0]=4 35172 B12R0.72 CCCC(C)CNCCC(C)(C)O 270004a_100000707701_100000243154 [0,3,0,0,0,0|1,0,0]=4 35173 B12R0.72 CCCC(C)COCCC(C)(C)C 34a_100000688023_100000755188 [0,3,0,0,0,0|0,0,0]=3 35174 B12R0.72 CCCC(C)COCCC(C)(C)C 7a_100000688023_100000755188 [0,3,0,0,0,0|0,0,0]=3 35175 B12R0.72 CCCC(C)COCCC(C)(C)C 7a_100000765024_100011216630 [0,3,0,0,0,0|0,0,0]=3 35176 B12R0.72 CCCC(C)COCCC(C)(C)O 34a_100000688023_100000702414 [0,3,0,0,0,0|0,0,0]=3 35177 B12R0.72 CCCC(C)COCCC(C)(C)O 7a_100000688023_100000702414 [0,3,0,0,0,0|0,0,0]=3 35178 B12R0.72 CCCC(C)COCCC(F)(F)F 34a_100000688023_100011219754 [0,3,0,0,0,0|1,0,0]=4 35179 B12R0.72 CCCC(C)COCCC(F)(F)F 34a_100000752437_100011216630 [0,3,0,0,0,0|1,0,0]=4 35180 B12R0.72 CCCC(C)COCCC(F)(F)F 7a_100000688023_100011219754 [0,3,0,0,0,0|1,0,0]=4 35181 B12R0.72 CCCC(C)COCCS(=O)(=O)C 34a_100000211924_100011216630 [0,3,0,0,0,0|1,0,0]=4 35182 B12R0.72 CCCC(C)COCCS(=O)(=O)C 34a_100000688023_100000731031 [0,3,0,0,0,0|1,0,0]=4 35183 B12R0.72 CCCC(C)COCCS(=O)(=O)C 7a_100000211924_100011216630 [0,3,0,0,0,0|1,0,0]=4 35184 B12R0.72 CCCC(C)COCCS(=O)(=O)C 7a_100000688023_100000230027 [0,3,0,0,0,0|1,0,0]=4 35185 B12R0.72 CCCC(C)COCC[N+](C)(C)C 34a_100000688023_100000085578 [0,3,0,0,0,0|1,0,0]=4 35186 B12R0.72 CCCC(C)COCC[N+](C)(C)C 7a_100000688023_100000085578 [0,3,0,0,0,0|1,0,0]=4 35187 B12R0.72 CCCC(C)COCC[N+](C)(C)C 7a_200020618287_100011216630 [0,3,0,0,0,0|1,0,0]=4 35188 B12R0.72 CCCC(C)COCC[Si](C)(C)C 34a_100000688023_200000733723 [0,3,0,0,0,0|0,1,0]=4 35189 B12R0.72 CCCC(C)COCC[Si](C)(C)C 7a_100000039746_100011216630 [0,3,0,0,0,0|0,1,0]=4 35190 B12R0.72 CCCC(C)COCC[Si](C)(C)C 7a_100000688023_200000733723 [0,3,0,0,0,0|0,1,0]=4 35191 B12R0.72 CCCC(C)CSCCC(C)(C)C 62a_100000755188_100011216630 [0,3,0,0,0,0|0,1,0]=4 35192 B12R0.72 CCCC(C)CSCCC(C)(C)C 62a_100011216630_100000755188 [0,3,0,0,0,0|0,1,0]=4 35193 B12R0.72 CCCC(C)CSCCC(C)(C)O 62a_100000702414_100011216630 [0,3,0,0,0,0|0,1,0]=4 35194 B12R0.72 CCCC(C)CSCCC(C)(C)O 62a_100011216630_100000702414 [0,3,0,0,0,0|0,1,0]=4 35195 B12R0.72 CCCC(C)NCCCC(C)(C)O 2230a_100000741246_100009888830 [0,3,0,0,0,0|1,0,0]=4 35196 B12R0.72 CCCC(C)OCCCC(C)(C)O 34a_100000764384_100009888830 [0,3,0,0,0,0|0,0,0]=3 35197 B12R0.72 CCCC(C)OCCCC(C)(C)O 7a_100000764384_100009888830 [0,3,0,0,0,0|0,0,0]=3 35198 B12R0.72 CCCC(C)OCCCC(F)(F)F 34a_100000749235_100000766640 [0,3,0,0,0,0|1,0,0]=4 35199 B12R0.72 CCCC(C)OCCCC(F)(F)F 34a_100000764384_100011215983 [0,3,0,0,0,0|1,0,0]=4 35200 B12R0.72 CCCC(C)OCCCC(F)(F)F 7a_100000764384_100011216173 [0,3,0,0,0,0|1,0,0]=4 35201 B12R0.72 CCCC(C)OCCCS(=O)(=O)C 34a_100000689940_100000766640 [0,3,0,0,0,0|1,0,0]=4 35202 B12R0.72 CCCC(C)OCCCS(=O)(=O)C 34a_100000764384_100000754308 [0,3,0,0,0,0|1,0,0]=4 35203 B12R0.72 CCCC(C)OCCCS(=O)(=O)C 7a_100000689940_100000766640 [0,3,0,0,0,0|1,0,0]=4 35204 B12R0.72 CCCC(C)OCCCS(=O)(=O)C 7a_100000764384_100000754308 [0,3,0,0,0,0|1,0,0]=4 35205 B12R0.72 CCCC(C)OCCC[N+](C)(C)C 34a_100000764384_100016990835 [0,3,0,0,0,0|1,0,0]=4 35206 B12R0.72 CCCC(C)OCCC[N+](C)(C)C 7a_100000764384_100016990835 [0,3,0,0,0,0|1,0,0]=4 35207 B12R0.72 CCCC(C)OCCC[Si](C)(C)C 34a_100000764384_100011219597 [0,3,0,0,0,0|0,1,0]=4 35208 B12R0.72 CCCC(C)OCCC[Si](C)(C)C 7a_100000764384_100011219597 [0,3,0,0,0,0|0,1,0]=4 35209 B12R0.72 CCCC(C)OCCC[Si](C)(C)C 7a_200011215415_100000766640 [0,3,0,0,0,0|0,1,0]=4 35210 B12R0.72 CCCC(C)OCCOC(C)(C)C 34a_100000693234_100000766640 [0,3,0,0,0,0|1,0,0]=4 35211 B12R0.72 CCCC(C)OCCOC(C)(C)C 7a_100000693234_100000766640 [0,3,0,0,0,0|1,0,0]=4 35212 B12R0.72 CCCC(C)SCCCC(C)(C)O 62a_100000766640_100009888830 [0,3,0,0,0,0|0,1,0]=4 35213 B12R0.72 CCCC(C)SCCCC(C)(C)O 62a_100009888830_100000766640 [0,3,0,0,0,0|0,1,0]=4 35214 B12R0.72 CCC[C@H](N)COCCC(C)(C)C 34a_100000732646_100000755188 [0,3,0,0,0,0|0,0,0]=3 35215 B12R0.72 CCC[C@H](N)COCCC(C)(C)O 34a_100000732646_100000702414 [0,3,0,0,0,0|0,0,0]=3 35216 B12R0.72 CCC[C@H](N)COCCC(F)(F)F 34a_100000732646_100011219754 [0,3,0,0,0,0|1,0,0]=4 35217 B12R0.72 CCC[C@H](N)COCCS(=O)(=O)C 34a_100000732646_100000731031 [0,3,0,0,0,0|1,0,0]=4 35218 B12R0.72 CCC[C@H](N)COCC[N+](C)(C)C 34a_100000732646_100000085578 [0,3,0,0,0,0|1,0,0]=4 35219 B12R0.72 CCC[C@H](N)COCC[Si](C)(C)C 34a_100000732646_200000733723 [0,3,0,0,0,0|0,1,0]=4 35220 B12R0.72 COCC(N)COCCC(C)(C)C 34a_100000724102_100000755188 [0,3,0,0,0,0|1,0,0]=4 35221 B12R0.72 COCC(N)COCCC(C)(C)O 34a_100000724102_100000702414 [0,3,0,0,0,0|1,0,0]=4 35222 B12R0.72 COCC(O)COCCC(C)(C)C 7a_100000765024_100011215053 [0,3,0,0,0,0|1,0,0]=4 35223 B12R0.72 COC[C@@H](C)OCCCC(C)(C)O 34a_100011934205_100009888830 [0,3,0,0,0,0|1,0,0]=4 35224 B12R0.172 C=C(C)CCOCC(C)(C)CCC 7a_100011995695_100000730704 [0,3,0,0,0,0|0,0,1]=4 35225 B12R0.172 CC(C)CCCOC(C)(C)CCBr 7a_100000702414_100011214892 [0,3,0,0,0,0|1,0,0]=4 35226 B12R0.172 CC(O)CCCOC(C)(C)CCBr 7a_100000702414_200000718107 [0,3,0,0,0,0|1,0,0]=4 35227 B12R0.172 CCCC(C)(C)COCCC(=O)C 7a_100011995695_100000053229 [0,3,0,0,0,0|0,0,1]=4 35228 B12R0.172 CCCC(C)(C)COCCC(C)C 7a_100011995695_100000210626 [0,3,0,0,0,0|0,0,0]=3 35229 B12R0.172 CCCC(C)(C)COCCC(C)O 7a_100011995695_100012276601 [0,3,0,0,0,0|0,0,0]=3 35230 B12R0.172 CCCC(C)(C)COCCN(C)C 7a_100011995695_100000755713 [0,3,0,0,0,0|1,0,0]=4 35231 B12R0.172 CCCC(C)(C)OCCCC(=O)C 7a_100000748436_100011215641 [0,3,0,0,0,0|0,0,1]=4 35232 B12R0.172 CCCC(C)(C)OCCCC(C)C 7a_100000748436_100011214892 [0,3,0,0,0,0|0,0,0]=3 35233 B12R0.172 CCCC(C)(C)OCCCC(C)O 7a_100000748436_200000718107 [0,3,0,0,0,0|0,0,0]=3 35234 B12R0.172 CCCC(C)(C)OCCCN(C)C 7a_100000748436_100000757444 [0,3,0,0,0,0|1,0,0]=4 35235 B12R0.172 CCCC(C)(C)OCCOC(C)C 7a_100000748436_100000211751 [0,3,0,0,0,0|1,0,0]=4 35236 B12R0.172 CCCC(C)(C)OCCSC(C)C 7a_100000748436_100000730970 [0,3,0,0,0,0|1,0,0]=4 35237 B12R0.172 CCNC(C)(C)COCCC(C)C 7a_100000747347_100000210626 [0,3,0,0,0,0|1,0,0]=4 35238 B12R0.172 CCNC(C)(C)COCCC(C)O 7a_100000747347_100012276601 [0,3,0,0,0,0|1,0,0]=4 35239 B12R0.42 C=C(C)CCOCCC(N)C(C)C 34a_100161115045_100000730704 [0,3,0,0,0,0|0,0,1]=4 35240 B12R0.42 CC(=O)C(C)COCCCC(C)C 34a_100000032740_100011214892 [0,3,0,0,0,0|0,0,1]=4 35241 B12R0.42 CC(=O)C(C)COCCCC(C)C 7a_100000032740_100011214892 [0,3,0,0,0,0|0,0,1]=4 35242 B12R0.42 CC(=O)C(C)COCCCC(C)O 34a_100000032740_200000718107 [0,3,0,0,0,0|0,0,1]=4 35243 B12R0.42 CC(=O)C(C)COCCCC(C)O 7a_100000032740_200000718107 [0,3,0,0,0,0|0,0,1]=4 35244 B12R0.42 CC(=O)CCCOC[C@H](N)C(C)C 34a_100011830312_100000685027 [0,3,0,0,0,0|0,0,1]=4 35245 B12R0.42 CC(C)CCCNCC(O)C(C)C 2230a_100000759067_100011214892 [0,3,0,0,0,0|1,0,0]=4 35246 B12R0.42 CC(C)CCCNCC(O)C(C)C 34a_100000759067_100011214892 [0,3,0,0,0,0|1,0,0]=4 35247 B12R0.42 CC(C)CCCOCC(=O)C(C)C 34a_100000210774_100000753385 [0,3,0,0,0,0|0,0,1]=4 35248 B12R0.42 CC(C)CCCOCC(=O)C(C)C 7a_100000210774_100000753385 [0,3,0,0,0,0|0,0,1]=4 35249 B12R0.42 CC(C)CCCOC[C@H](N)C(C)C 34a_100011830312_100011214892 [0,3,0,0,0,0|0,0,0]=3 35250 B12R0.42 CC(C)CCOCCC(N)C(C)C 34a_100161115045_100000210312 [0,3,0,0,0,0|0,0,0]=3 35251 B12R0.42 CC(C)OCCOC[C@H](N)C(C)C 34a_100011830312_100000211751 [0,3,0,0,0,0|1,0,0]=4 35252 B12R0.42 CC(C)OCOCCC(N)C(C)C 34a_100161115045_100000709892 [0,3,0,0,0,0|1,0,0]=4 35253 B12R0.42 CC(C)SCCOC[C@H](N)C(C)C 34a_100011830312_100000730970 [0,3,0,0,0,0|1,0,0]=4 35254 B12R0.42 CC(O)CCCNCC(O)C(C)C 2230a_100000759067_200000718107 [0,3,0,0,0,0|1,0,0]=4 35255 B12R0.42 CC(O)CCCNCC(O)C(C)C 34a_100000759067_200000718107 [0,3,0,0,0,0|1,0,0]=4 35256 B12R0.42 CC(O)CCCOC[C@H](N)C(C)C 34a_100011830312_200000718107 [0,3,0,0,0,0|0,0,0]=3 35257 B12R0.42 CC(O)CCOCCC(N)C(C)C 34a_100161115045_100012276601 [0,3,0,0,0,0|0,0,0]=3 35258 B12R0.44 C=C(C)CCOC(C)CCC(C)C 34a_100000764851_100011261404 [0,3,0,0,0,0|0,0,1]=4 35259 B12R0.44 C=C(C)CCOC(C)CCC(C)C 34a_100011215350_100000730704 [0,3,0,0,0,0|0,0,1]=4 35260 B12R0.44 C=C(C)CCOC(C)CCC(C)C 7a_100011215350_100000730704 [0,3,0,0,0,0|0,0,1]=4 35261 B12R0.44 CC(=O)CCOC(C)CCC(C)C 34a_100000759926_100011261404 [0,3,0,0,0,0|0,0,1]=4 35262 B12R0.44 CC(=O)CCOC(C)CCC(C)C 7a_100011215350_100000053229 [0,3,0,0,0,0|0,0,1]=4 35263 B12R0.44 CC(C)CCC(=O)CCCC(C)O 1458a_100000181311_200000718107 [0,3,0,0,0,0|1,0,0]=4 35264 B12R0.44 CC(C)CCC(C)NCCC(C)O 2230a_100138410893_100012276601 [0,3,0,0,0,0|1,0,0]=4 35265 B12R0.44 CC(C)CCC(C)NCCC(C)O 2230a_200000755665_100011261404 [0,3,0,0,0,0|1,0,0]=4 35266 B12R0.44 CC(C)CCC(C)NCCC(C)O 270004a_200000755665_100000210476 [0,3,0,0,0,0|1,0,0]=4 35267 B12R0.44 CC(C)CCC(C)OCCC(C)Br 34a_100009893172_100011261404 [0,3,0,0,0,0|0,0,0]=3 35268 B12R0.44 CC(C)CCC(C)OCCC(C)O 34a_100011215350_100012276601 [0,3,0,0,0,0|0,0,0]=3 35269 B12R0.44 CC(C)CCC(C)OCCC(C)O 7a_100011215350_100012276601 [0,3,0,0,0,0|0,0,0]=3 35270 B12R0.44 CC(C)CCC(C)OCCC(F)F 34a_100103093639_100011261404 [0,3,0,0,0,0|1,0,0]=4 35271 B12R0.44 CC(C)CCC(C)OCCN(C)C 7a_100011215350_100000755713 [0,3,0,0,0,0|1,0,0]=4 35272 B12R0.44 CC(C)CCC(C)OCC[C@@H](C)N 34a_100000706166_100011261404 [0,3,0,0,0,0|0,0,0]=3 35273 B12R0.44 CC(C)CCC(C)OCOC(C)C 34a_100011215350_100000709892 [0,3,0,0,0,0|1,0,0]=4 35274 B12R0.44 CC(C)CCC(C)SCCC(C)O 62a_100011261404_100012276601 [0,3,0,0,0,0|0,1,0]=4 35275 B12R0.44 CC(C)CCC(C)SCCC(C)O 62a_100012276601_100011261404 [0,3,0,0,0,0|0,1,0]=4 35276 B12R0.44 CC(C)CCCC(=O)CCC(C)C 1458a_100000181311_100011214892 [0,3,0,0,0,0|1,0,0]=4 35277 B12R0.44 CC(C)CCCC(=O)CCC(C)C 1458a_100011216857_100000210312 [0,3,0,0,0,0|1,0,0]=4 35278 B12R0.44 CC(C)CCCC(=O)CCC(C)O 1458a_100011216857_100012276601 [0,3,0,0,0,0|1,0,0]=4 35279 B12R0.44 CC(C)CCCN(C)CCC(C)C 2230a_100000742789_100011214892 [0,3,0,0,0,0|1,0,0]=4 35280 B12R0.44 CC(C)CCCN(C)CCC(C)C 269982a_100000742789_100011214892 [0,3,0,0,0,0|1,0,0]=4 35281 B12R0.44 CC(C)CCN(C)CCCC(C)O 2230a_100000742789_200000718107 [0,3,0,0,0,0|1,0,0]=4 35282 B12R0.44 CC(C)CCN(C)CCCC(C)O 269982a_100000742789_200000718107 [0,3,0,0,0,0|1,0,0]=4 35283 B12R0.44 CC(C)CCNC(C)CCC(C)C 2230a_100138410893_100000210312 [0,3,0,0,0,0|1,0,0]=4 35284 B12R0.44 CC(C)CCNC(C)CCC(C)C 269862a_100138410893_100000185833 [0,3,0,0,0,0|1,0,0]=4 35285 B12R0.44 CC(C)CCNC(C)CCC(C)C 270004a_100000210545_100000210476 [0,3,0,0,0,0|1,0,0]=4 35286 B12R0.44 CC(C)CCOC(C)CCC(C)C 34a_100000210254_100011261404 [0,3,0,0,0,0|0,0,0]=3 35287 B12R0.44 CC(C)CCOC(C)CCC(C)C 34a_100011215350_100000210312 [0,3,0,0,0,0|0,0,0]=3 35288 B12R0.44 CC(C)CCOC(C)CCC(C)C 7a_100011215350_100000210626 [0,3,0,0,0,0|0,0,0]=3 35289 B12R0.44 CC(C)CCSC(C)CCC(C)C 62a_100000210312_100011261404 [0,3,0,0,0,0|0,1,0]=4 35290 B12R0.44 CC(C)CCSC(C)CCC(C)C 62a_100011261404_100000210312 [0,3,0,0,0,0|0,1,0]=4 35291 B12R0.137 C=C(C)CCOCCCC(C)(C)O 34a_100000764851_100009888830 [0,3,0,0,0,0|0,0,1]=4 35292 B12R0.137 CC(=O)CCCOCCC(C)(C)C 34a_100000759063_100000755188 [0,3,0,0,0,0|0,0,1]=4 35293 B12R0.137 CC(=O)CCCOCCC(C)(C)C 7a_100000759063_100000755188 [0,3,0,0,0,0|0,0,1]=4 35294 B12R0.137 CC(=O)CCCOCCC(C)(C)C 7a_100000765024_100011215641 [0,3,0,0,0,0|0,0,1]=4 35295 B12R0.137 CC(=O)CCCOCCC(C)(C)O 34a_100000759063_100000702414 [0,3,0,0,0,0|0,0,1]=4 35296 B12R0.137 CC(=O)CCCOCCC(C)(C)O 7a_100000759063_100000702414 [0,3,0,0,0,0|0,0,1]=4 35297 B12R0.137 CC(=O)CCOCCCC(C)(C)O 34a_100000759926_100009888830 [0,3,0,0,0,0|0,0,1]=4 35298 B12R0.137 CC(=O)CCOCCCC(C)(C)O 7a_100000759926_100009888830 [0,3,0,0,0,0|0,0,1]=4 35299 B12R0.137 CC(Br)CCOCCCC(C)(C)O 34a_100009893172_100009888830 [0,3,0,0,0,0|0,0,0]=3 35300 B12R0.137 CC(Br)CCOCCCC(F)(F)F 34a_100009893172_100011215983 [0,3,0,0,0,0|1,0,0]=4 35301 B12R0.137 CC(Br)CCOCCCS(=O)(=O)C 34a_100009893172_100000754308 [0,3,0,0,0,0|1,0,0]=4 35302 B12R0.137 CC(Br)CCOCCC[N+](C)(C)C 34a_100009893172_100016990835 [0,3,0,0,0,0|1,0,0]=4 35303 B12R0.137 CC(Br)CCOCCC[Si](C)(C)C 34a_100009893172_100011219597 [0,3,0,0,0,0|0,1,0]=4 35304 B12R0.137 CC(C)(O)CCCOCCC(F)F 34a_100103093639_100009888830 [0,3,0,0,0,0|1,0,0]=4 35305 B12R0.137 CC(C)CCCNCCC(C)(C)C 2230a_100000738805_100011214892 [0,3,0,0,0,0|1,0,0]=4 35306 B12R0.137 CC(C)CCCNCCC(C)(C)C 2230a_200000737386_100000755188 [0,3,0,0,0,0|1,0,0]=4 35307 B12R0.137 CC(C)CCCNCCC(C)(C)C 34a_200000737386_100000755188 [0,3,0,0,0,0|1,0,0]=4 35308 B12R0.137 CC(C)CCCNCCC(C)(C)F 2230a_100016253952_100011214892 [0,3,0,0,0,0|1,0,0]=4 35309 B12R0.137 CC(C)CCCNCCC(C)(C)O 2230a_200000737386_100000702414 [0,3,0,0,0,0|1,0,0]=4 35310 B12R0.137 CC(C)CCCNCCC(C)(C)O 34a_200000737386_100000702414 [0,3,0,0,0,0|1,0,0]=4 35311 B12R0.137 CC(C)CCCOCCC(C)(C)C 34a_100000210774_100000755188 [0,3,0,0,0,0|0,0,0]=3 35312 B12R0.137 CC(C)CCCOCCC(C)(C)C 7a_100000210774_100000755188 [0,3,0,0,0,0|0,0,0]=3 35313 B12R0.137 CC(C)CCCOCCC(C)(C)C 7a_100000765024_100011214892 [0,3,0,0,0,0|0,0,0]=3 35314 B12R0.137 CC(C)CCCOCCC(C)(C)O 34a_100000210774_100000702414 [0,3,0,0,0,0|0,0,0]=3 35315 B12R0.137 CC(C)CCCOCCC(C)(C)O 7a_100000210774_100000702414 [0,3,0,0,0,0|0,0,0]=3 35316 B12R0.137 CC(C)CCCOCCC(F)(F)F 34a_100000210774_100011219754 [0,3,0,0,0,0|1,0,0]=4 35317 B12R0.137 CC(C)CCCOCCC(F)(F)F 34a_100000752437_100011214892 [0,3,0,0,0,0|1,0,0]=4 35318 B12R0.137 CC(C)CCCOCCC(F)(F)F 7a_100000210774_100011219754 [0,3,0,0,0,0|1,0,0]=4 35319 B12R0.137 CC(C)CCCOCCS(=O)(=O)C 34a_100000210774_100000731031 [0,3,0,0,0,0|1,0,0]=4 35320 B12R0.137 CC(C)CCCOCCS(=O)(=O)C 34a_100000211924_100011214892 [0,3,0,0,0,0|1,0,0]=4 35321 B12R0.137 CC(C)CCCOCCS(=O)(=O)C 7a_100000210774_100000230027 [0,3,0,0,0,0|1,0,0]=4 35322 B12R0.137 CC(C)CCCOCCS(=O)(=O)C 7a_100000211924_100011214892 [0,3,0,0,0,0|1,0,0]=4 35323 B12R0.137 CC(C)CCCOCC[N+](C)(C)C 34a_100000210774_100000085578 [0,3,0,0,0,0|1,0,0]=4 35324 B12R0.137 CC(C)CCCOCC[N+](C)(C)C 7a_100000210774_100000085578 [0,3,0,0,0,0|1,0,0]=4 35325 B12R0.137 CC(C)CCCOCC[N+](C)(C)C 7a_200020618287_100011214892 [0,3,0,0,0,0|1,0,0]=4 35326 B12R0.137 CC(C)CCCOCC[Si](C)(C)C 34a_100000210774_200000733723 [0,3,0,0,0,0|0,1,0]=4 35327 B12R0.137 CC(C)CCCOCC[Si](C)(C)C 7a_100000039746_100011214892 [0,3,0,0,0,0|0,1,0]=4 35328 B12R0.137 CC(C)CCCOCC[Si](C)(C)C 7a_100000210774_200000733723 [0,3,0,0,0,0|0,1,0]=4 35329 B12R0.137 CC(C)CCCSCCC(C)(C)C 62a_100000755188_100011214892 [0,3,0,0,0,0|0,1,0]=4 35330 B12R0.137 CC(C)CCCSCCC(C)(C)C 62a_100011214892_100000755188 [0,3,0,0,0,0|0,1,0]=4 35331 B12R0.137 CC(C)CCCSCCC(C)(C)O 62a_100000702414_100011214892 [0,3,0,0,0,0|0,1,0]=4 35332 B12R0.137 CC(C)CCCSCCC(C)(C)O 62a_100011214892_100000702414 [0,3,0,0,0,0|0,1,0]=4 35333 B12R0.137 CC(C)CCOCCCC(C)(C)O 34a_100000210254_100009888830 [0,3,0,0,0,0|0,0,0]=3 35334 B12R0.137 CC(C)CCOCCCC(C)(C)O 7a_100000210254_100009888830 [0,3,0,0,0,0|0,0,0]=3 35335 B12R0.137 CC(C)CCOCCCC(F)(F)F 34a_100000210254_100011215983 [0,3,0,0,0,0|1,0,0]=4 35336 B12R0.137 CC(C)CCOCCCC(F)(F)F 34a_100000749235_100000210312 [0,3,0,0,0,0|1,0,0]=4 35337 B12R0.137 CC(C)CCOCCCC(F)(F)F 7a_100000210254_100011216173 [0,3,0,0,0,0|1,0,0]=4 35338 B12R0.137 CC(C)CCOCCCS(=O)(=O)C 34a_100000210254_100000754308 [0,3,0,0,0,0|1,0,0]=4 35339 B12R0.137 CC(C)CCOCCCS(=O)(=O)C 34a_100000689940_100000210312 [0,3,0,0,0,0|1,0,0]=4 35340 B12R0.137 CC(C)CCOCCCS(=O)(=O)C 7a_100000210254_100000754308 [0,3,0,0,0,0|1,0,0]=4 35341 B12R0.137 CC(C)CCOCCCS(=O)(=O)C 7a_100000689940_100000210626 [0,3,0,0,0,0|1,0,0]=4 35342 B12R0.137 CC(C)CCOCCC[N+](C)(C)C 34a_100000210254_100016990835 [0,3,0,0,0,0|1,0,0]=4 35343 B12R0.137 CC(C)CCOCCC[N+](C)(C)C 7a_100000210254_100016990835 [0,3,0,0,0,0|1,0,0]=4 35344 B12R0.137 CC(C)CCOCCC[Si](C)(C)C 34a_100000210254_100011219597 [0,3,0,0,0,0|0,1,0]=4 35345 B12R0.137 CC(C)CCOCCC[Si](C)(C)C 7a_100000210254_100011219597 [0,3,0,0,0,0|0,1,0]=4 35346 B12R0.137 CC(C)CCOCCC[Si](C)(C)C 7a_200011215415_100000210626 [0,3,0,0,0,0|0,1,0]=4 35347 B12R0.137 CC(C)CCOCCOC(C)(C)C 34a_100000693234_100000210312 [0,3,0,0,0,0|1,0,0]=4 35348 B12R0.137 CC(C)CCOCCOC(C)(C)C 7a_100000693234_100000210626 [0,3,0,0,0,0|1,0,0]=4 35349 B12R0.137 CC(C)CCSCCCC(C)(C)O 62a_100000210312_100009888830 [0,3,0,0,0,0|0,1,0]=4 35350 B12R0.137 CC(C)CCSCCCC(C)(C)O 62a_100009888830_100000210312 [0,3,0,0,0,0|0,1,0]=4 35351 B12R0.137 CC(C)NCCOCCC(C)(C)C 34a_100000224655_100000755188 [0,3,0,0,0,0|1,0,0]=4 35352 B12R0.137 CC(C)NCCOCCC(C)(C)O 34a_100000224655_100000702414 [0,3,0,0,0,0|1,0,0]=4 35353 B12R0.137 CC(C)OCCOCCC(C)(C)C 34a_100000211219_100000755188 [0,3,0,0,0,0|1,0,0]=4 35354 B12R0.137 CC(C)OCCOCCC(C)(C)C 7a_100000211219_100000755188 [0,3,0,0,0,0|1,0,0]=4 35355 B12R0.137 CC(C)OCCOCCC(C)(C)C 7a_100000765024_100000211751 [0,3,0,0,0,0|1,0,0]=4 35356 B12R0.137 CC(C)OCCOCCC(C)(C)O 34a_100000211219_100000702414 [0,3,0,0,0,0|1,0,0]=4 35357 B12R0.137 CC(C)OCCOCCC(C)(C)O 7a_100000211219_100000702414 [0,3,0,0,0,0|1,0,0]=4 35358 B12R0.137 CC(C)SCCOCCC(C)(C)C 34a_200011212901_100000755188 [0,3,0,0,0,0|1,0,0]=4 35359 B12R0.137 CC(C)SCCOCCC(C)(C)C 7a_100000765024_100000730970 [0,3,0,0,0,0|1,0,0]=4 35360 B12R0.137 CC(C)SCCOCCC(C)(C)C 7a_200011212901_100000755188 [0,3,0,0,0,0|1,0,0]=4 35361 B12R0.137 CC(C)SCCOCCC(C)(C)O 34a_200011212901_100000702414 [0,3,0,0,0,0|1,0,0]=4 35362 B12R0.137 CC(C)SCCOCCC(C)(C)O 7a_200011212901_100000702414 [0,3,0,0,0,0|1,0,0]=4 35363 B12R0.137 CC(O)CCCNCCC(C)(C)C 2230a_100000738805_200000718107 [0,3,0,0,0,0|1,0,0]=4 35364 B12R0.137 CC(O)CCCNCCC(C)(C)F 2230a_100016253952_200000718107 [0,3,0,0,0,0|1,0,0]=4 35365 B12R0.137 CC(O)CCCOCCC(C)(C)C 7a_100000765024_200000718107 [0,3,0,0,0,0|0,0,0]=3 35366 B12R0.137 CC(O)CCCOCCC(F)(F)F 34a_100000752437_200000718107 [0,3,0,0,0,0|1,0,0]=4 35367 B12R0.137 CC(O)CCCOCCS(=O)(=O)C 34a_100000211924_200000718107 [0,3,0,0,0,0|1,0,0]=4 35368 B12R0.137 CC(O)CCCOCCS(=O)(=O)C 7a_100000211924_200000718107 [0,3,0,0,0,0|1,0,0]=4 35369 B12R0.137 CC(O)CCCOCC[N+](C)(C)C 7a_200020618287_200000718107 [0,3,0,0,0,0|1,0,0]=4 35370 B12R0.137 CC(O)CCCOCC[Si](C)(C)C 7a_100000039746_200000718107 [0,3,0,0,0,0|0,1,0]=4 35371 B12R0.137 CC(O)CCCSCCC(C)(C)C 62a_100000755188_200000718107 [0,3,0,0,0,0|0,1,0]=4 35372 B12R0.137 CC(O)CCCSCCC(C)(C)C 62a_200000718107_100000755188 [0,3,0,0,0,0|0,1,0]=4 35373 B12R0.137 CC(O)CCCSCCC(C)(C)O 62a_100000702414_200000718107 [0,3,0,0,0,0|0,1,0]=4 35374 B12R0.137 CC(O)CCCSCCC(C)(C)O 62a_200000718107_100000702414 [0,3,0,0,0,0|0,1,0]=4 35375 B12R0.137 CC(O)CCNCCCC(C)(C)O 2230a_200000755665_100009888830 [0,3,0,0,0,0|1,0,0]=4 35376 B12R0.137 CC(O)CCOCCCC(F)(F)F 34a_100000749235_100012276601 [0,3,0,0,0,0|1,0,0]=4 35377 B12R0.137 CC(O)CCOCCCS(=O)(=O)C 34a_100000689940_100012276601 [0,3,0,0,0,0|1,0,0]=4 35378 B12R0.137 CC(O)CCOCCCS(=O)(=O)C 7a_100000689940_100012276601 [0,3,0,0,0,0|1,0,0]=4 35379 B12R0.137 CC(O)CCOCCC[Si](C)(C)C 7a_200011215415_100012276601 [0,3,0,0,0,0|0,1,0]=4 35380 B12R0.137 CC(O)CCOCCOC(C)(C)C 34a_100000693234_100012276601 [0,3,0,0,0,0|1,0,0]=4 35381 B12R0.137 CC(O)CCOCCOC(C)(C)C 7a_100000693234_100012276601 [0,3,0,0,0,0|1,0,0]=4 35382 B12R0.137 CC(O)CCSCCCC(C)(C)O 62a_100009888830_100012276601 [0,3,0,0,0,0|0,1,0]=4 35383 B12R0.137 CC(O)CCSCCCC(C)(C)O 62a_100012276601_100009888830 [0,3,0,0,0,0|0,1,0]=4 35384 B12R0.137 CN(C)CCCOCCC(C)(C)C 7a_100000765024_100000757444 [0,3,0,0,0,0|1,0,0]=4 35385 B12R0.137 C[C@@H](N)CCOCCCC(C)(C)O 34a_100000706166_100009888830 [0,3,0,0,0,0|0,0,0]=3 35386 B12R0.137 C[C@@H](N)CCOCCCC(F)(F)F 34a_100000706166_100011215983 [0,3,0,0,0,0|1,0,0]=4 35387 B12R0.137 C[C@@H](N)CCOCCCS(=O)(=O)C 34a_100000706166_100000754308 [0,3,0,0,0,0|1,0,0]=4 35388 B12R0.137 C[C@@H](N)CCOCCC[N+](C)(C)C 34a_100000706166_100016990835 [0,3,0,0,0,0|1,0,0]=4 35389 B12R0.137 C[C@@H](N)CCOCCC[Si](C)(C)C 34a_100000706166_100011219597 [0,3,0,0,0,0|0,1,0]=4 35390 B12R0.184 C=C(C)CCOCCCC(C)CC 7a_100011216074_100000730704 [0,3,0,0,0,0|0,0,1]=4 35391 B12R0.184 C=C(C)CCOCCC[C@@H](C)CN 34a_100160569302_100000730704 [0,3,0,0,0,0|0,0,1]=4 35392 B12R0.184 CC(=O)CCCCOCC(C)CN 34a_100000744482_100009817362 [0,3,0,0,0,0|1,0,0]=4 35393 B12R0.184 CC(=O)CCCCOCC(Cl)CCl 34a_100000033668_100009817362 [0,3,0,0,0,0|1,0,0]=4 35394 B12R0.184 CC(=O)CCCCOC[C@H](F)CN 34a_100015665980_100009817362 [0,3,0,0,0,0|1,0,0]=4 35395 B12R0.184 CC(C)CCCCOCC(C)CN 34a_100000744482_100011216152 [0,3,0,0,0,0|1,0,0]=4 35396 B12R0.184 CC(C)CCCCOCC(Cl)CCl 34a_100000033668_100011216152 [0,3,0,0,0,0|1,0,0]=4 35397 B12R0.184 CC(C)CCCCOCC(O)CO 34a_100011214890_100011219619 [0,3,0,0,0,0|1,0,0]=4 35398 B12R0.184 CC(C)CCCCOCC(O)CO 7a_100011214890_100011219619 [0,3,0,0,0,0|1,0,0]=4 35399 B12R0.184 CC(C)CCCCOC[C@@H](C)CO 34a_100011214890_100000059175 [0,3,0,0,0,0|1,0,0]=4 35400 B12R0.184 CC(C)CCCCOC[C@@H](C)CO 7a_100011214890_100000059175 [0,3,0,0,0,0|1,0,0]=4 35401 B12R0.184 CC(C)CCCCOC[C@@H](O)CF 34a_100011214890_100015614560 [0,3,0,0,0,0|1,0,0]=4 35402 B12R0.184 CC(C)CCCCOC[C@@H](O)CF 7a_100011214890_100015614560 [0,3,0,0,0,0|1,0,0]=4 35403 B12R0.184 CC(C)CCCCOC[C@@H](O)CO 34a_100011214890_100009815848 [0,3,0,0,0,0|1,0,0]=4 35404 B12R0.184 CC(C)CCCCOC[C@@H](O)CO 7a_100011214890_100009815848 [0,3,0,0,0,0|1,0,0]=4 35405 B12R0.184 CC(C)CCCCOC[C@H](F)CN 34a_100015665980_100011216152 [0,3,0,0,0,0|1,0,0]=4 35406 B12R0.184 CC(C)CCCNCCC(C)CO 2230a_106354213184_100011214892 [0,3,0,0,0,0|1,0,0]=4 35407 B12R0.184 CC(C)CCCNCCC(C)CO 34a_106354213184_100011214892 [0,3,0,0,0,0|1,0,0]=4 35408 B12R0.184 CC(C)CCOCCC[C@@H](C)CN 34a_100160569302_100000210312 [0,3,0,0,0,0|0,0,0]=3 35409 B12R0.184 CC(C)CNCCOCC(O)CO 34a_100015185251_100011219619 [0,3,0,0,0,0|1,0,0]=4 35410 B12R0.184 CC(C)CNCCOC[C@@H](C)CO 34a_100015185251_100000059175 [0,3,0,0,0,0|1,0,0]=4 35411 B12R0.184 CC(C)CNCCOC[C@@H](O)CF 34a_100015185251_100015614560 [0,3,0,0,0,0|1,0,0]=4 35412 B12R0.184 CC(C)CNCCOC[C@@H](O)CO 34a_100015185251_100009815848 [0,3,0,0,0,0|1,0,0]=4 35413 B12R0.184 CC(C)COCCOCC(O)CO 34a_100000703358_100011219619 [0,3,0,0,0,0|1,0,0]=4 35414 B12R0.184 CC(C)COCCOCC(O)CO 7a_100000703358_100011219619 [0,3,0,0,0,0|1,0,0]=4 35415 B12R0.184 CC(C)COCCOC[C@@H](C)CO 34a_100000703358_100000059175 [0,3,0,0,0,0|1,0,0]=4 35416 B12R0.184 CC(C)COCCOC[C@@H](C)CO 7a_100000703358_100000059175 [0,3,0,0,0,0|1,0,0]=4 35417 B12R0.184 CC(C)COCCOC[C@@H](O)CF 34a_100000703358_100015614560 [0,3,0,0,0,0|1,0,0]=4 35418 B12R0.184 CC(C)COCCOC[C@@H](O)CF 7a_100000703358_100015614560 [0,3,0,0,0,0|1,0,0]=4 35419 B12R0.184 CC(C)COCCOC[C@@H](O)CO 34a_100000703358_100009815848 [0,3,0,0,0,0|1,0,0]=4 35420 B12R0.184 CC(C)COCCOC[C@@H](O)CO 7a_100000703358_100009815848 [0,3,0,0,0,0|1,0,0]=4 35421 B12R0.184 CC(C)CSCCOCC(O)CO 34a_200000230437_100011219619 [0,3,0,0,0,0|1,0,0]=4 35422 B12R0.184 CC(C)CSCCOCC(O)CO 7a_200000230437_100011219619 [0,3,0,0,0,0|1,0,0]=4 35423 B12R0.184 CC(C)CSCCOC[C@@H](C)CO 34a_200000230437_100000059175 [0,3,0,0,0,0|1,0,0]=4 35424 B12R0.184 CC(C)CSCCOC[C@@H](C)CO 7a_200000230437_100000059175 [0,3,0,0,0,0|1,0,0]=4 35425 B12R0.184 CC(C)CSCCOC[C@@H](O)CF 34a_200000230437_100015614560 [0,3,0,0,0,0|1,0,0]=4 35426 B12R0.184 CC(C)CSCCOC[C@@H](O)CF 7a_200000230437_100015614560 [0,3,0,0,0,0|1,0,0]=4 35427 B12R0.184 CC(C)CSCCOC[C@@H](O)CO 34a_200000230437_100009815848 [0,3,0,0,0,0|1,0,0]=4 35428 B12R0.184 CC(C)CSCCOC[C@@H](O)CO 7a_200000230437_100009815848 [0,3,0,0,0,0|1,0,0]=4 35429 B12R0.184 CC(C)NCCCOCC(O)CO 34a_100000182298_100011219619 [0,3,0,0,0,0|1,0,0]=4 35430 B12R0.184 CC(C)NCCCOC[C@@H](C)CO 34a_100000182298_100000059175 [0,3,0,0,0,0|1,0,0]=4 35431 B12R0.184 CC(C)NCCCOC[C@@H](O)CF 34a_100000182298_100015614560 [0,3,0,0,0,0|1,0,0]=4 35432 B12R0.184 CC(C)NCCCOC[C@@H](O)CO 34a_100000182298_100009815848 [0,3,0,0,0,0|1,0,0]=4 35433 B12R0.184 CC(C)OCOCCC[C@@H](C)CN 34a_100160569302_100000709892 [0,3,0,0,0,0|1,0,0]=4 35434 B12R0.184 CC(O)CCCNCCC(C)CO 2230a_106354213184_200000718107 [0,3,0,0,0,0|1,0,0]=4 35435 B12R0.184 CC(O)CCCNCCC(C)CO 34a_106354213184_200000718107 [0,3,0,0,0,0|1,0,0]=4 35436 B12R0.184 CC(O)CCOCCC[C@@H](C)CN 34a_100160569302_100012276601 [0,3,0,0,0,0|0,0,0]=3 35437 B12R0.184 CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210202 [0,3,0,0,0,0|1,0,0]=4 35438 B12R0.184 CCC(=O)COCCCCC(=O)C 34a_100000725409_100009817362 [0,3,0,0,0,0|0,0,1]=4 35439 B12R0.184 CCC(=O)COCCCCC(C)C 34a_100000725409_100011216152 [0,3,0,0,0,0|0,0,1]=4 35440 B12R0.184 CCC(=O)COCCCCC(C)C 7a_100011214890_100000747405 [0,3,0,0,0,0|0,0,1]=4 35441 B12R0.184 CCC(=O)COCCOCC(C)C 7a_100000703358_100000747405 [0,3,0,0,0,0|0,0,1]=4 35442 B12R0.184 CCC(=O)COCCSCC(C)C 7a_200000230437_100000747405 [0,3,0,0,0,0|0,0,1]=4 35443 B12R0.184 CCC(=O)NCCOCCC(C)C 34a_200000158885_100000210312 [0,3,0,0,0,0|0,0,1]=4 35444 B12R0.184 CCC(=O)NCCOCCC(C)C 7a_200000158885_100000210626 [0,3,0,0,0,0|0,0,1]=4 35445 B12R0.184 CCC(=O)NCCOCCC(C)O 34a_200000158885_100012276601 [0,3,0,0,0,0|0,0,1]=4 35446 B12R0.184 CCC(=O)NCCOCCC(C)O 7a_200000158885_100012276601 [0,3,0,0,0,0|0,0,1]=4 35447 B12R0.184 CCC(=O)OCCOCCC(C)C 7a_200000031056_100000210626 [0,3,0,0,0,0|0,0,1]=4 35448 B12R0.184 CCC(=O)OCCOCCC(C)O 7a_200000031056_100012276601 [0,3,0,0,0,0|0,0,1]=4 35449 B12R0.184 CCC(C)CCCCCOC(C)C 7a_200000035636_100000210206 [0,3,0,0,0,0|1,0,0]=4 35450 B12R0.184 CCC(C)CCCOCCC(=O)C 7a_100011216074_100000053229 [0,3,0,0,0,0|0,0,1]=4 35451 B12R0.184 CCC(C)CCCOCCC(C)C 7a_100011216074_100000210626 [0,3,0,0,0,0|0,0,0]=3 35452 B12R0.184 CCC(C)CCCOCCC(C)O 7a_100011216074_100012276601 [0,3,0,0,0,0|0,0,0]=3 35453 B12R0.184 CCC(C)CCCOCCN(C)C 7a_100011216074_100000755713 [0,3,0,0,0,0|1,0,0]=4 35454 B12R0.184 CCC(C)CCNCCCC(C)C 2230a_100020591266_100011214892 [0,3,0,0,0,0|1,0,0]=4 35455 B12R0.184 CCC(C)CCNCCCC(C)O 2230a_100020591266_200000718107 [0,3,0,0,0,0|1,0,0]=4 35456 B12R0.184 CCC(C)CCNCCOC(C)C 2230a_100020591266_100000211751 [0,3,0,0,0,0|1,0,0]=4 35457 B12R0.184 CCC(C)CCNCCSC(C)C 2230a_100020591266_100000730970 [0,3,0,0,0,0|1,0,0]=4 35458 B12R0.184 CCC(C)CCOCCC=C(C)C 7a_100011215188_100011217483 [0,3,0,0,0,0|0,0,1]=4 35459 B12R0.184 CCC(C)CCOCCCC(=O)C 7a_100011215188_100011215641 [0,3,0,0,0,0|0,0,0]=3 35460 B12R0.184 CCC(C)CCOCCCC(=O)N 7a_100011215188_100102525003 [0,3,0,0,0,0|0,0,1]=4 35461 B12R0.184 CCC(C)CCOCCCC(C)C 7a_100011215188_100011214892 [0,3,0,0,0,0|0,0,0]=3 35462 B12R0.184 CCC(C)CCOCCCC(C)O 7a_100011215188_200000718107 [0,3,0,0,0,0|0,0,0]=3 35463 B12R0.184 CCC(C)CCOCCCN(C)C 7a_100011215188_100000757444 [0,3,0,0,0,0|0,0,0]=3 35464 B12R0.184 CCC(C)CCOCCNC(=O)C 7a_100011215188_100000189650 [0,3,0,0,0,0|0,0,1]=4 35465 B12R0.184 CCC(C)CCOCCOC(=O)C 7a_100011215188_100009814007 [0,3,0,0,0,0|0,0,1]=4 35466 B12R0.184 CCC(C)CCOCCOC(C)C 7a_100011215188_100000211751 [0,3,0,0,0,0|0,0,0]=3 35467 B12R0.184 CCC(C)CCOCCSC(C)C 7a_100011215188_100000730970 [0,3,0,0,0,0|0,0,0]=3 35468 B12R0.184 CCC(C)CNCCCCC(C)C 2230a_100020588543_100011216152 [0,3,0,0,0,0|1,0,0]=4 35469 B12R0.184 CCC(C)CNCCCOC(C)C 2230a_100000737246_100000748023 [0,3,0,0,0,0|1,0,0]=4 35470 B12R0.184 CCC(C)CNCCCOC(C)C 270004a_100000737246_100000243153 [0,3,0,0,0,0|1,0,0]=4 35471 B12R0.184 CCC(C)CNCCCOC(C)C 34a_100000737246_100000748023 [0,3,0,0,0,0|1,0,0]=4 35472 B12R0.184 CCC(C)COCCCCC(=O)N 34a_100012022536_100000748023 [0,3,0,0,0,0|0,0,1]=4 35473 B12R0.184 CCC(C)COCCCCC(=O)N 7a_100012022536_100000748023 [0,3,0,0,0,0|0,0,1]=4 35474 B12R0.184 CCC(C)COCCCCC(C)C 34a_100011214890_100000748023 [0,3,0,0,0,0|0,0,0]=3 35475 B12R0.184 CCC(C)COCCCCC(C)C 7a_100011214890_100000748023 [0,3,0,0,0,0|0,0,0]=3 35476 B12R0.184 CCC(C)COCCCC[N+](=O)[O-] 34a_200015379883_100000748023 [0,3,0,0,0,0|1,0,0]=4 35477 B12R0.184 CCC(C)COCCCC[N+](=O)[O-] 7a_200015379883_100000748023 [0,3,0,0,0,0|1,0,0]=4 35478 B12R0.184 CCC(C)COCCCNC(=O)C 34a_100000752032_100000748023 [0,3,0,0,0,0|0,0,1]=4 35479 B12R0.184 CCC(C)COCCCNC(C)C 34a_100000182298_100000748023 [0,3,0,0,0,0|0,0,0]=3 35480 B12R0.184 CCC(C)COCCNCC(C)C 34a_100015185251_100000748023 [0,3,0,0,0,0|0,0,0]=3 35481 B12R0.184 CCC(C)COCCOCC(C)C 34a_100000703358_100000748023 [0,3,0,0,0,0|0,0,0]=3 35482 B12R0.184 CCC(C)COCCOCC(C)C 7a_100000703358_100000748023 [0,3,0,0,0,0|0,0,0]=3 35483 B12R0.184 CCC(C)COCCOCC(F)F 34a_100000704375_100000748023 [0,3,0,0,0,0|1,0,0]=4 35484 B12R0.184 CCC(C)COCCOCC(F)F 7a_100000704375_100000748023 [0,3,0,0,0,0|1,0,0]=4 35485 B12R0.184 CCC(C)COCCSCC(C)C 34a_200000230437_100000748023 [0,3,0,0,0,0|0,0,0]=3 35486 B12R0.184 CCC(C)COCCSCC(C)C 7a_200000230437_100000748023 [0,3,0,0,0,0|0,0,0]=3 35487 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000735457_100000748023 [0,3,0,0,0,0|0,1,0]=4 35488 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000748023_100000735457 [0,3,0,0,0,0|0,1,0]=4 35489 B12R0.184 CCC(C)CSCCCCC(C)C 62a_100000748023_100011216152 [0,3,0,0,0,0|0,1,0]=4 35490 B12R0.184 CCC(C)CSCCCCC(C)C 62a_100011216152_100000748023 [0,3,0,0,0,0|0,1,0]=4 35491 B12R0.184 CCC(C)CSCCCCN(C)C 62a_100000748023_100000690147 [0,3,0,0,0,0|0,1,0]=4 35492 B12R0.184 CCC(C)NCCCCCC(C)C 2230a_100000209981_100000210682 [0,3,0,0,0,0|1,0,0]=4 35493 B12R0.184 CCC(C)NCCCCCC(C)C 2230a_100011290863_100000758301 [0,3,0,0,0,0|1,0,0]=4 35494 B12R0.184 CCC(C)NCCCCCC(C)C 34a_100011290863_100011215416 [0,3,0,0,0,0|1,0,0]=4 35495 B12R0.184 CCC(C)OCCCCCC(C)C 34a_100011995859_100011215416 [0,3,0,0,0,0|1,0,0]=4 35496 B12R0.184 CCC(C)OCCCCCC(C)C 7a_100000210228_100000210682 [0,3,0,0,0,0|1,0,0]=4 35497 B12R0.184 CCC(C)OCCCCCC(C)C 7a_100011995859_100000758301 [0,3,0,0,0,0|1,0,0]=4 35498 B12R0.184 CCC(C)SCCCCCC(C)C 62a_100000210682_100000758301 [0,3,0,0,0,0|1,0,0]=4 35499 B12R0.184 CCC(C)SCCCCCC(C)C 62a_100000758301_100000210682 [0,3,0,0,0,0|1,0,0]=4 35500 B12R0.184 CCC(O)CNCCCCC(C)C 2230a_100011218483_100011216152 [0,3,0,0,0,0|1,0,0]=4 35501 B12R0.184 CCC(O)CNCCCOC(C)C 2230a_100000737246_100011218378 [0,3,0,0,0,0|1,0,0]=4 35502 B12R0.184 CCC(O)CNCCCOC(C)C 34a_100000737246_100011218378 [0,3,0,0,0,0|1,0,0]=4 35503 B12R0.184 CCC(O)COCCCCC(=O)N 34a_100012022536_100011218378 [0,3,0,0,0,0|0,0,1]=4 35504 B12R0.184 CCC(O)COCCCCC(=O)N 7a_100012022536_100011218378 [0,3,0,0,0,0|0,0,1]=4 35505 B12R0.184 CCC(O)COCCCCC(C)C 34a_100011214890_100011218378 [0,3,0,0,0,0|0,0,0]=3 35506 B12R0.184 CCC(O)COCCCCC(C)C 7a_100011214890_100011218378 [0,3,0,0,0,0|0,0,0]=3 35507 B12R0.184 CCC(O)COCCCC[N+](=O)[O-] 34a_200015379883_100011218378 [0,3,0,0,0,0|1,0,0]=4 35508 B12R0.184 CCC(O)COCCCC[N+](=O)[O-] 7a_200015379883_100011218378 [0,3,0,0,0,0|1,0,0]=4 35509 B12R0.184 CCC(O)COCCCNC(=O)C 34a_100000752032_100011218378 [0,3,0,0,0,0|0,0,1]=4 35510 B12R0.184 CCC(O)COCCCNC(C)C 34a_100000182298_100011218378 [0,3,0,0,0,0|0,0,0]=3 35511 B12R0.184 CCC(O)COCCNCC(C)C 34a_100015185251_100011218378 [0,3,0,0,0,0|0,0,0]=3 35512 B12R0.184 CCC(O)COCCOCC(C)C 34a_100000703358_100011218378 [0,3,0,0,0,0|0,0,0]=3 35513 B12R0.184 CCC(O)COCCOCC(C)C 7a_100000703358_100011218378 [0,3,0,0,0,0|0,0,0]=3 35514 B12R0.184 CCC(O)COCCOCC(F)F 34a_100000704375_100011218378 [0,3,0,0,0,0|1,0,0]=4 35515 B12R0.184 CCC(O)COCCOCC(F)F 7a_100000704375_100011218378 [0,3,0,0,0,0|1,0,0]=4 35516 B12R0.184 CCC(O)COCCSCC(C)C 34a_200000230437_100011218378 [0,3,0,0,0,0|0,0,0]=3 35517 B12R0.184 CCC(O)COCCSCC(C)C 7a_200000230437_100011218378 [0,3,0,0,0,0|0,0,0]=3 35518 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100000735457_100011218378 [0,3,0,0,0,0|0,1,0]=4 35519 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100011218378_100000735457 [0,3,0,0,0,0|0,1,0]=4 35520 B12R0.184 CCC(O)CSCCCCC(C)C 62a_100011216152_100011218378 [0,3,0,0,0,0|0,1,0]=4 35521 B12R0.184 CCC(O)CSCCCCC(C)C 62a_100011218378_100011216152 [0,3,0,0,0,0|0,1,0]=4 35522 B12R0.184 CCC(O)CSCCCCN(C)C 62a_100011218378_100000690147 [0,3,0,0,0,0|0,1,0]=4 35523 B12R0.184 CCN(C)CCCNCCC(C)O 2230a_200000755665_100015186262 [0,3,0,0,0,0|1,0,0]=4 35524 B12R0.184 CCN(C)CCCOCCC(=O)C 7a_100000759926_100015186262 [0,3,0,0,0,0|0,0,1]=4 35525 B12R0.184 CCN(C)CCCOCCC(C)C 7a_100000210254_100015186262 [0,3,0,0,0,0|0,0,0]=3 35526 B12R0.184 CCN(C)CCCSCCC(C)C 62a_100000210312_100015186262 [0,3,0,0,0,0|0,1,0]=4 35527 B12R0.184 CCN(C)CCCSCCC(C)O 62a_100012276601_100015186262 [0,3,0,0,0,0|0,1,0]=4 35528 B12R0.184 CC[C@H](C)CNCCCOC(C)C 2230a_100000737246_100009816398 [0,3,0,0,0,0|1,0,0]=4 35529 B12R0.184 CC[C@H](C)CNCCCOC(C)C 34a_100000737246_100009816398 [0,3,0,0,0,0|1,0,0]=4 35530 B12R0.184 CC[C@H](C)COCCCCB(O)O 7a_100009816381_200009817182 [0,3,0,0,0,0|1,0,0]=4 35531 B12R0.184 CC[C@H](C)COCCCCC(=O)C 7a_100009816381_100000735457 [0,3,0,0,0,0|0,0,0]=3 35532 B12R0.184 CC[C@H](C)COCCCCC(=O)N 34a_100012022536_100009816398 [0,3,0,0,0,0|0,0,1]=4 35533 B12R0.184 CC[C@H](C)COCCCCC(=O)N 7a_100012022536_100009816398 [0,3,0,0,0,0|0,0,1]=4 35534 B12R0.184 CC[C@H](C)COCCCCC(C)C 34a_100011214890_100009816398 [0,3,0,0,0,0|0,0,0]=3 35535 B12R0.184 CC[C@H](C)COCCCCC(C)C 7a_100009816381_100011216152 [0,3,0,0,0,0|0,0,0]=3 35536 B12R0.184 CC[C@H](C)COCCCCC(C)C 7a_100011214890_100009816398 [0,3,0,0,0,0|0,0,0]=3 35537 B12R0.184 CC[C@H](C)COCCCC[N+](=O)[O-] 34a_200015379883_100009816398 [0,3,0,0,0,0|1,0,0]=4 35538 B12R0.184 CC[C@H](C)COCCCC[N+](=O)[O-] 7a_200015379883_100009816398 [0,3,0,0,0,0|1,0,0]=4 35539 B12R0.184 CC[C@H](C)COCCCNC(=O)C 34a_100000752032_100009816398 [0,3,0,0,0,0|0,0,1]=4 35540 B12R0.184 CC[C@H](C)COCCCNC(C)C 34a_100000182298_100009816398 [0,3,0,0,0,0|0,0,0]=3 35541 B12R0.184 CC[C@H](C)COCCCOC(=O)C 7a_100009816381_100000042594 [0,3,0,0,0,0|0,0,1]=4 35542 B12R0.184 CC[C@H](C)COCCCOC(=S)C 7a_100009816381_200135323944 [0,3,0,0,0,0|0,0,1]=4 35543 B12R0.184 CC[C@H](C)COCCCSC(=O)C 7a_100009816381_100000038929 [0,3,0,0,0,0|0,0,1]=4 35544 B12R0.184 CC[C@H](C)COCCNCC(C)C 34a_100015185251_100009816398 [0,3,0,0,0,0|0,0,0]=3 35545 B12R0.184 CC[C@H](C)COCCOCC(C)C 34a_100000703358_100009816398 [0,3,0,0,0,0|0,0,0]=3 35546 B12R0.184 CC[C@H](C)COCCOCC(C)C 7a_100000703358_100009816398 [0,3,0,0,0,0|0,0,0]=3 35547 B12R0.184 CC[C@H](C)COCCOCC(F)F 34a_100000704375_100009816398 [0,3,0,0,0,0|1,0,0]=4 35548 B12R0.184 CC[C@H](C)COCCOCC(F)F 7a_100000704375_100009816398 [0,3,0,0,0,0|1,0,0]=4 35549 B12R0.184 CC[C@H](C)COCCOCC(F)F 7a_100009816381_200012177212 [0,3,0,0,0,0|1,0,0]=4 35550 B12R0.184 CC[C@H](C)COCCSCC(C)C 34a_200000230437_100009816398 [0,3,0,0,0,0|0,0,0]=3 35551 B12R0.184 CC[C@H](C)COCCSCC(C)C 7a_200000230437_100009816398 [0,3,0,0,0,0|0,0,0]=3 35552 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100000735457_100009816398 [0,3,0,0,0,0|0,1,0]=4 35553 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100009816398_100000735457 [0,3,0,0,0,0|0,1,0]=4 35554 B12R0.184 CC[C@H](C)CSCCCCC(C)C 62a_100009816398_100011216152 [0,3,0,0,0,0|0,1,0]=4 35555 B12R0.184 CC[C@H](C)CSCCCCC(C)C 62a_100011216152_100009816398 [0,3,0,0,0,0|0,1,0]=4 35556 B12R0.184 CC[C@H](C)CSCCCCN(C)C 62a_100009816398_100000690147 [0,3,0,0,0,0|0,1,0]=4 35557 B12R0.184 CNC(=O)CCCOCCC(C)Br 34a_100009893172_100000741757 [0,3,0,0,0,0|0,0,1]=4 35558 B12R0.184 CNC(=O)CCCOCCC(C)C 34a_100000210254_100000741757 [0,3,0,0,0,0|0,0,1]=4 35559 B12R0.184 CNC(=O)CCCOCCC(C)C 7a_100000210254_100000741757 [0,3,0,0,0,0|0,0,1]=4 35560 B12R0.184 CNC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000741757 [0,3,0,0,0,0|0,0,1]=4 35561 B12R0.184 CNC(=O)CCOCCCC(C)C 34a_100000210774_100012179268 [0,3,0,0,0,0|0,0,1]=4 35562 B12R0.184 CNC(=O)CCOCCCC(C)C 34a_100000754576_100011214892 [0,3,0,0,0,0|0,0,1]=4 35563 B12R0.184 CNC(=O)CCOCCCC(C)C 7a_100000210774_100000737683 [0,3,0,0,0,0|0,0,1]=4 35564 B12R0.184 CNC(=O)CCOCCCC(C)O 34a_100000754576_200000718107 [0,3,0,0,0,0|0,0,1]=4 35565 B12R0.184 COC(=O)CCCOCCC(C)Br 34a_100009893172_100000742333 [0,3,0,0,0,0|0,0,1]=4 35566 B12R0.184 COC(=O)CCCOCCC(C)C 34a_100000210254_100000742333 [0,3,0,0,0,0|0,0,1]=4 35567 B12R0.184 COC(=O)CCCOCCC(C)C 7a_100000210254_100011218270 [0,3,0,0,0,0|0,0,1]=4 35568 B12R0.184 COC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000742333 [0,3,0,0,0,0|0,0,1]=4 35569 B12R0.184 COC(=O)CCOCCCC(C)C 34a_100000210774_100000742370 [0,3,0,0,0,0|0,0,1]=4 35570 B12R0.184 COC(=O)CCOCCCC(C)C 7a_100000210774_100000204255 [0,3,0,0,0,0|0,0,1]=4 35571 B12R0.184 COC(C)CCOCCCC(=O)C 7a_100000764861_100011215641 [0,3,0,0,0,0|0,0,1]=4 35572 B12R0.184 COC(C)CCOCCCC(C)C 7a_100000764861_100011214892 [0,3,0,0,0,0|0,0,0]=3 35573 B12R0.184 COC(C)CCOCCCC(C)O 7a_100000764861_200000718107 [0,3,0,0,0,0|0,0,0]=3 35574 B12R0.184 COC(C)CCOCCCN(C)C 7a_100000764861_100000757444 [0,3,0,0,0,0|1,0,0]=4 35575 B12R0.184 COC(C)CCOCCOC(C)C 7a_100000764861_100000211751 [0,3,0,0,0,0|1,0,0]=4 35576 B12R0.184 COC(C)CCOCCSC(C)C 7a_100000764861_100000730970 [0,3,0,0,0,0|1,0,0]=4 35577 B12R0.184 COC(C)COCCCCC(=O)C 34a_100000690652_100009817362 [0,3,0,0,0,0|1,0,0]=4 35578 B12R0.184 COC(C)COCCCCC(C)C 34a_100000690652_100011216152 [0,3,0,0,0,0|1,0,0]=4 35579 B12R0.57 C#CC(CC)OCCCCCCC 34a_100000758843_100000210614 [0,3,0,0,0,0|1,0,0]=4 35580 B12R0.57 C#CC(CC)OCCCCCCC 7a_100000758843_100000210614 [0,3,0,0,0,0|1,0,0]=4 35581 B12R0.57 C#CC(CC)OCCOCCCC 34a_100000758843_100000743108 [0,3,0,0,0,0|0,0,0]=3 35582 B12R0.57 C#CC(CC)OCCOCCCC 7a_100000758843_100000743108 [0,3,0,0,0,0|0,0,0]=3 35583 B12R0.57 C#CC(CC)OCCOCCOC 34a_100000758843_100000695917 [0,3,0,0,0,0|1,0,0]=4 35584 B12R0.57 C#CC(CC)OCCOCCOC 7a_100000758843_100000695917 [0,3,0,0,0,0|1,0,0]=4 35585 B12R0.57 C#CCCCCOCC(CC)CC 34a_100000766709_100011215472 [0,3,0,0,0,0|0,0,1]=4 35586 B12R0.57 C#CCCCCOCC(CC)CC 7a_100000703878_100010269958 [0,3,0,0,0,0|0,0,1]=4 35587 B12R0.57 C#CCCCCOCC(CC)CC 7a_100000766709_100011215472 [0,3,0,0,0,0|0,0,1]=4 35588 B12R0.57 C#CCCCCOCC(CC)OC 34a_100011934954_100010269958 [0,3,0,0,0,0|0,0,1]=4 35589 B12R0.57 C#CCCCCOCC(CC)OC 7a_100011934954_100010269958 [0,3,0,0,0,0|0,0,1]=4 35590 B12R0.57 C=CC(CC)OCCCCCCC 34a_100000766422_100000210614 [0,3,0,0,0,0|1,0,0]=4 35591 B12R0.57 C=CC(CC)OCCCCCCC 7a_100000766422_100000210614 [0,3,0,0,0,0|1,0,0]=4 35592 B12R0.57 C=CC(CC)OCCOCCCC 34a_100000766422_100000743108 [0,3,0,0,0,0|0,0,0]=3 35593 B12R0.57 C=CC(CC)OCCOCCCC 7a_100000766422_100000743108 [0,3,0,0,0,0|0,0,0]=3 35594 B12R0.57 C=CC(CC)OCCOCCOC 34a_100000766422_100000695917 [0,3,0,0,0,0|1,0,0]=4 35595 B12R0.57 C=CC(CC)OCCOCCOC 7a_100000766422_100000695917 [0,3,0,0,0,0|1,0,0]=4 35596 B12R0.57 C=CCCCCOCC(CC)CC 34a_100000766645_100011215472 [0,3,0,0,0,0|0,0,1]=4 35597 B12R0.57 C=CCCCCOCC(CC)CC 7a_100000703878_100011215482 [0,3,0,0,0,0|0,0,1]=4 35598 B12R0.57 C=CCCCCOCC(CC)CC 7a_100000766645_100011215472 [0,3,0,0,0,0|0,0,1]=4 35599 B12R0.57 C=CCCCCOCC(CC)OC 34a_100011934954_100011215482 [0,3,0,0,0,0|0,0,1]=4 35600 B12R0.57 C=CCCCCOCC(CC)OC 7a_100011934954_100011215482 [0,3,0,0,0,0|0,0,1]=4 35601 B12R0.57 C=C[C@@H](CO)NCCOCCCC 2230a_100016989147_100000743108 [0,3,0,0,0,0|1,0,0]=4 35602 B12R0.57 C=C[C@@H](CO)NCCOCCCC 34a_100016989147_100000743108 [0,3,0,0,0,0|1,0,0]=4 35603 B12R0.57 CC/C=C\CCOCC(CC)CC 34a_100016288707_100011215472 [0,3,0,0,0,0|0,0,1]=4 35604 B12R0.57 CC/C=C\CCOCC(CC)CC 7a_100000703878_100015370543 [0,3,0,0,0,0|0,0,1]=4 35605 B12R0.57 CC/C=C\CCOCC(CC)CC 7a_100016288707_100011215472 [0,3,0,0,0,0|0,0,1]=4 35606 B12R0.57 CC/C=C\CCOCC(CC)OC 34a_100011934954_100015370543 [0,3,0,0,0,0|0,0,1]=4 35607 B12R0.57 CC/C=C\CCOCC(CC)OC 7a_100011934954_100015370543 [0,3,0,0,0,0|0,0,1]=4 35608 B12R0.57 CC=CCCCOCC(CC)CC 34a_100020645299_100011215472 [0,3,0,0,0,0|0,0,1]=4 35609 B12R0.57 CCC#CCCOCC(CC)CC 34a_100000036655_100011215472 [0,3,0,0,0,0|0,0,1]=4 35610 B12R0.57 CCC#CCCOCC(CC)CC 7a_100000036655_100011215472 [0,3,0,0,0,0|0,0,1]=4 35611 B12R0.57 CCC(CC)CNCCCCCF 2230a_100102946423_100000729378 [0,3,0,0,0,0|1,0,0]=4 35612 B12R0.57 CCC(CC)CNCCCCCO 2230a_100000762737_100011215472 [0,3,0,0,0,0|1,0,0]=4 35613 B12R0.57 CCC(CC)CNCCCCCO 2230a_100102946423_100000746330 [0,3,0,0,0,0|1,0,0]=4 35614 B12R0.57 CCC(CC)CNCCCCCO 269862a_100000762737_100000211137 [0,3,0,0,0,0|1,0,0]=4 35615 B12R0.57 CCC(CC)CNCCCCCO 270004a_100000762737_100000211137 [0,3,0,0,0,0|1,0,0]=4 35616 B12R0.57 CCC(CC)CNCCCCCO 34a_100000762737_100011215472 [0,3,0,0,0,0|1,0,0]=4 35617 B12R0.57 CCC(CC)CNCCCCOC 2230a_100102946423_100000730899 [0,3,0,0,0,0|1,0,0]=4 35618 B12R0.57 CCC(CC)CNCOCCOC 2230a_100102946423_100000231047 [0,3,0,0,0,0|1,0,0]=4 35619 B12R0.57 CCC(CC)COCCCCC#N 7a_100000703878_100000211819 [0,3,0,0,0,0|0,0,1]=4 35620 B12R0.57 CCC(CC)COCCCCC=O 7a_100000703878_100000139335 [0,3,0,0,0,0|0,0,1]=4 35621 B12R0.57 CCC(CC)COCCCCCBr 34a_100000746331_100011215472 [0,3,0,0,0,0|0,0,0]=3 35622 B12R0.57 CCC(CC)COCCCCCBr 7a_100000746331_100011215472 [0,3,0,0,0,0|0,0,0]=3 35623 B12R0.57 CCC(CC)COCCCCCCl 34a_100000746330_100011215472 [0,3,0,0,0,0|0,0,0]=3 35624 B12R0.57 CCC(CC)COCCCCCCl 7a_100000746330_100011215472 [0,3,0,0,0,0|0,0,0]=3 35625 B12R0.57 CCC(CC)COCCCCCF 7a_100000703878_100000729378 [0,3,0,0,0,0|0,0,0]=3 35626 B12R0.57 CCC(CC)COCCCCCI 34a_200012148887_100011215472 [0,3,0,0,0,0|0,0,0]=3 35627 B12R0.57 CCC(CC)COCCCCCI 7a_200012148887_100011215472 [0,3,0,0,0,0|0,0,0]=3 35628 B12R0.57 CCC(CC)COCCCCCN 34a_100000762737_100011215472 [0,3,0,0,0,0|0,0,0]=3 35629 B12R0.57 CCC(CC)COCCCCCO 7a_100000703878_100000746330 [0,3,0,0,0,0|0,0,0]=3 35630 B12R0.57 CCC(CC)COCCCCOC 34a_100000740925_100011215472 [0,3,0,0,0,0|0,0,0]=3 35631 B12R0.57 CCC(CC)COCCCCOC 7a_100000703878_100000730899 [0,3,0,0,0,0|0,0,0]=3 35632 B12R0.57 CCC(CC)COCCCCSC 34a_100011217163_100011215472 [0,3,0,0,0,0|0,0,0]=3 35633 B12R0.57 CCC(CC)COCCCCSC 7a_100011217163_100011215472 [0,3,0,0,0,0|0,0,0]=3 35634 B12R0.57 CCC(CC)COCCOCCBr 34a_100000692535_100011215472 [0,3,0,0,0,0|1,0,0]=4 35635 B12R0.57 CCC(CC)COCCOCCBr 7a_100000692535_100011215472 [0,3,0,0,0,0|1,0,0]=4 35636 B12R0.57 CCC(CC)COCCOCCCl 34a_100011215305_100011215472 [0,3,0,0,0,0|1,0,0]=4 35637 B12R0.57 CCC(CC)COCCOCCCl 7a_100011215305_100011215472 [0,3,0,0,0,0|1,0,0]=4 35638 B12R0.57 CCC(CC)COCCOCCF 34a_200015357709_100011215472 [0,3,0,0,0,0|1,0,0]=4 35639 B12R0.57 CCC(CC)COCCOCCF 7a_200015357709_100011215472 [0,3,0,0,0,0|1,0,0]=4 35640 B12R0.57 CCC(CC)COCCOCCI 34a_100012149058_100011215472 [0,3,0,0,0,0|1,0,0]=4 35641 B12R0.57 CCC(CC)COCCOCCI 7a_100012149058_100011215472 [0,3,0,0,0,0|1,0,0]=4 35642 B12R0.57 CCC(CC)COCCOCCN 34a_100000211614_100011215472 [0,3,0,0,0,0|1,0,0]=4 35643 B12R0.57 CCC(CC)COCCOCCO 7a_100000703878_100011215305 [0,3,0,0,0,0|1,0,0]=4 35644 B12R0.57 CCC(CC)CSCCCCCF 62a_100000729378_100011215472 [0,3,0,0,0,0|0,1,0]=4 35645 B12R0.57 CCC(CC)CSCCCCCF 62a_100011215472_100000729378 [0,3,0,0,0,0|0,1,0]=4 35646 B12R0.57 CCC(CC)CSCCCCCO 62a_100000746330_100011215472 [0,3,0,0,0,0|0,1,0]=4 35647 B12R0.57 CCC(CC)CSCCCCCO 62a_100011215472_100000746330 [0,3,0,0,0,0|0,1,0]=4 35648 B12R0.57 CCC(CC)CSCCCCOC 62a_100000730899_100011215472 [0,3,0,0,0,0|0,1,0]=4 35649 B12R0.57 CCC(CC)CSCCCCOC 62a_100011215472_100000730899 [0,3,0,0,0,0|0,1,0]=4 35650 B12R0.57 CCC(CC)CSCOCCOC 62a_100000231047_100011215472 [0,3,0,0,0,0|1,0,0]=4 35651 B12R0.57 CCC(CC)CSCOCCOC 62a_100011215472_100000231047 [0,3,0,0,0,0|1,0,0]=4 35652 B12R0.57 CCC(CC)NCCOCCOC 2230a_100000199018_100000695917 [0,3,0,0,0,0|1,0,0]=4 35653 B12R0.57 CCC(CC)NCCOCCOC 270004a_100000745349_100000210860 [0,3,0,0,0,0|1,0,0]=4 35654 B12R0.57 CCC(CC)OCCOCCOC 7a_100000688536_100000695917 [0,3,0,0,0,0|1,0,0]=4 35655 B12R0.57 CCC(CC)OCCOCCOC 7a_100011215163_100000210505 [0,3,0,0,0,0|1,0,0]=4 35656 B12R0.57 CCC(CC)SCCOCCOC 62a_100000210505_100000695917 [0,3,0,0,0,0|1,0,0]=4 35657 B12R0.57 CCC(CC)SCCOCCOC 62a_100000695917_100000210505 [0,3,0,0,0,0|1,0,0]=4 35658 B12R0.57 CCC(COCCCCC#N)OC 7a_100011934954_100000211819 [0,3,0,0,0,0|0,0,1]=4 35659 B12R0.57 CCC(COCCCCC=O)OC 7a_100011934954_100000139335 [0,3,0,0,0,0|0,0,1]=4 35660 B12R0.57 CCC(COCCCCCF)OC 34a_100011934954_100000729378 [0,3,0,0,0,0|0,0,0]=3 35661 B12R0.57 CCC(COCCCCCF)OC 7a_100011934954_100000729378 [0,3,0,0,0,0|0,0,0]=3 35662 B12R0.57 CCC(COCCCCCO)OC 34a_100011934954_100000746330 [0,3,0,0,0,0|0,0,0]=3 35663 B12R0.57 CCC(COCCCCCO)OC 7a_100011934954_100000746330 [0,3,0,0,0,0|0,0,0]=3 35664 B12R0.57 CCC(COCCCCOC)OC 34a_100011934954_100000755781 [0,3,0,0,0,0|0,0,0]=3 35665 B12R0.57 CCC(COCCCCOC)OC 7a_100011934954_100000730899 [0,3,0,0,0,0|0,0,0]=3 35666 B12R0.57 CCC(COCCOCCO)OC 34a_100011934954_100000692535 [0,3,0,0,0,0|1,0,0]=4 35667 B12R0.57 CCC(COCCOCCO)OC 7a_100011934954_100011215305 [0,3,0,0,0,0|1,0,0]=4 35668 B12R0.57 CCC/C=C/COCC(CC)CC 34a_100016278788_100011215472 [0,3,0,0,0,0|0,0,1]=4 35669 B12R0.57 CCC/C=C/COCC(CC)CC 7a_100016278788_100011215472 [0,3,0,0,0,0|0,0,1]=4 35670 B12R0.57 CCCC#CCOCC(CC)CC 34a_100000034806_100011215472 [0,3,0,0,0,0|0,0,1]=4 35671 B12R0.57 CCCC#CCOCC(CC)CC 7a_100000034806_100011215472 [0,3,0,0,0,0|0,0,1]=4 35672 B12R0.57 CCCCCCCCC(CC)NC 270004a_106832991635_200011217995 [0,3,0,0,0,0|1,0,0]=4 35673 B12R0.57 CCCCCCCCC(CC)OC 34a_200011216270_200000210301 [0,3,0,0,0,0|1,0,0]=4 35674 B12R0.57 CCCCCCCCC(CC)OC 7a_200011216270_200000210301 [0,3,0,0,0,0|1,0,0]=4 35675 B12R0.57 CCCCCCCCC(CC)O[13CH3] 34a_200011216270_200025704644 [0,3,0,0,0,0|1,0,0]=4 35676 B12R0.57 CCCCCCCCC(CC)O[13CH3] 7a_200011216270_200025704644 [0,3,0,0,0,0|1,0,0]=4 35677 B12R0.57 CCCCCCCCN(CC)CC 2230a_100000724800_100000210759 [0,3,0,0,0,0|1,0,0]=4 35678 B12R0.57 CCCCCCCCN(CC)CC 269956a_100000042499_100000210759 [0,3,0,0,0,0|1,0,0]=4 35679 B12R0.57 CCCCCCCCN(CC)CC 269982a_100000724800_100000210759 [0,3,0,0,0,0|1,0,0]=4 35680 B12R0.57 CCCCCCCNC(CC)CC 2230a_100000199018_100000210681 [0,3,0,0,0,0|1,0,0]=4 35681 B12R0.57 CCCCCCCNC(CC)CC 270004a_100000229938_100000210860 [0,3,0,0,0,0|1,0,0]=4 35682 B12R0.57 CCCCCCCN[C@@H](CC)CO 2230a_100000709445_100000210681 [0,3,0,0,0,0|1,0,0]=4 35683 B12R0.57 CCCCCCCOC(CC)CC 7a_100000210272_100000210505 [0,3,0,0,0,0|1,0,0]=4 35684 B12R0.57 CCCCCCCOC(CC)CC 7a_100000688536_100000210614 [0,3,0,0,0,0|1,0,0]=4 35685 B12R0.57 CCCCCCCSC(CC)CC 62a_100000210505_100000210316 [0,3,0,0,0,0|1,0,0]=4 35686 B12R0.57 CCCCCCCSC(CC)CC 62a_100000210614_100000210505 [0,3,0,0,0,0|1,0,0]=4 35687 B12R0.57 CCCCCCNCC(CC)CC 2230a_100000210581_100011215472 [0,3,0,0,0,0|1,0,0]=4 35688 B12R0.57 CCCCCCNCC(CC)CC 2230a_100102946423_100000210314 [0,3,0,0,0,0|1,0,0]=4 35689 B12R0.57 CCCCCCNCC(CC)CC 269862a_100000210581_100000211137 [0,3,0,0,0,0|1,0,0]=4 35690 B12R0.57 CCCCCCNCC(CC)CC 270004a_100000210581_100000211137 [0,3,0,0,0,0|1,0,0]=4 35691 B12R0.57 CCCCCCOCC(CC)CC 34a_100000210259_100011215472 [0,3,0,0,0,0|0,0,0]=3 35692 B12R0.57 CCCCCCOCC(CC)CC 7a_100000210259_100011215472 [0,3,0,0,0,0|0,0,0]=3 35693 B12R0.57 CCCCCCOCC(CC)CC 7a_100000703878_100000210314 [0,3,0,0,0,0|0,0,0]=3 35694 B12R0.57 CCCCCCOCC(CC)OC 34a_100011934954_100000210314 [0,3,0,0,0,0|0,0,0]=3 35695 B12R0.57 CCCCCCOCC(CC)OC 7a_100011934954_100000210314 [0,3,0,0,0,0|0,0,0]=3 35696 B12R0.57 CCCCCCOCC(OC)OC 34a_100000210259_100000211822 [0,3,0,0,0,0|1,0,0]=4 35697 B12R0.57 CCCCCCOCC(OC)OC 34a_100011216393_100000210314 [0,3,0,0,0,0|1,0,0]=4 35698 B12R0.57 CCCCCCOCC(OC)OC 7a_100000210259_100000751394 [0,3,0,0,0,0|1,0,0]=4 35699 B12R0.57 CCCCCCOCN(CC)CC 7a_200015374951_100000210314 [0,3,0,0,0,0|1,0,0]=4 35700 B12R0.57 CCCCCCSCC(CC)CC 62a_100000210314_100011215472 [0,3,0,0,0,0|0,1,0]=4 35701 B12R0.57 CCCCCCSCC(CC)CC 62a_100011215472_100000210757 [0,3,0,0,0,0|0,1,0]=4 35702 B12R0.57 CCCCCNCCC(OC)OC 2230a_100000209983_100009813347 [0,3,0,0,0,0|1,0,0]=4 35703 B12R0.57 CCCCCNCCN(CC)CC 2230a_100000209983_100000700428 [0,3,0,0,0,0|1,0,0]=4 35704 B12R0.57 CCCCCNCCN(CC)CC 2230a_100015382049_100000210326 [0,3,0,0,0,0|1,0,0]=4 35705 B12R0.57 CCCCCOCCC(OC)OC 34a_100000210253_100000139399 [0,3,0,0,0,0|0,0,0]=3 35706 B12R0.57 CCCCCOCCC(OC)OC 7a_100000210253_100009813347 [0,3,0,0,0,0|0,0,0]=3 35707 B12R0.57 CCCCCOCCN(CC)CC 7a_100000210253_100000700428 [0,3,0,0,0,0|0,0,0]=3 35708 B12R0.57 CCCCCOCCN(CC)CC 7a_100016990331_100000210326 [0,3,0,0,0,0|0,0,0]=3 35709 B12R0.57 CCCCCSCCC(OC)OC 62a_100000139399_100000210326 [0,3,0,0,0,0|0,1,0]=4 35710 B12R0.57 CCCCCSCCC(OC)OC 62a_100000210326_100000139399 [0,3,0,0,0,0|0,1,0]=4 35711 B12R0.57 CCCCCSCCN(CC)CC 62a_100000210326_100000700428 [0,3,0,0,0,0|0,1,0]=4 35712 B12R0.57 CCCCNCCCC(OC)OC 2230a_100000102301_100000069011 [0,3,0,0,0,0|1,0,0]=4 35713 B12R0.57 CCCCNCCCC(OC)OC 7a_106832991798_100000069011 [0,3,0,0,0,0|1,0,0]=4 35714 B12R0.57 CCCCNCCCN(CC)CC 2230a_100000102301_100000709985 [0,3,0,0,0,0|1,0,0]=4 35715 B12R0.57 CCCCNCCCN(CC)CC 7a_106832991798_100000709985 [0,3,0,0,0,0|1,0,0]=4 35716 B12R0.57 CCCCOCCCC(OC)OC 34a_100000210227_100000069011 [0,3,0,0,0,0|0,0,0]=3 35717 B12R0.57 CCCCOCCCC(OC)OC 7a_100000210227_100000069011 [0,3,0,0,0,0|0,0,0]=3 35718 B12R0.57 CCCCOCCCN(CC)CC 7a_100000210227_100000709985 [0,3,0,0,0,0|0,0,0]=3 35719 B12R0.57 CCCCOCCCN(CC)CC 7a_100000212844_100000210211 [0,3,0,0,0,0|0,0,0]=3 35720 B12R0.57 CCCCOCCNC(CC)CC 2230a_100000199018_100000743108 [0,3,0,0,0,0|0,0,0]=3 35721 B12R0.57 CCCCOCCNC(CO)CO 2230a_100000759517_100000743108 [0,3,0,0,0,0|1,0,0]=4 35722 B12R0.57 CCCCOCCN[C@@H](CC)CO 2230a_100000709445_100000743108 [0,3,0,0,0,0|0,0,0]=3 35723 B12R0.57 CCCCOCCOC(CC)CC 7a_100000210238_100000210505 [0,3,0,0,0,0|0,0,0]=3 35724 B12R0.57 CCCCOCCOC(CC)CC 7a_100000688536_100000743108 [0,3,0,0,0,0|0,0,0]=3 35725 B12R0.57 CCCCOCCOC(CCl)CCl 7a_100000737055_100000743108 [0,3,0,0,0,0|1,0,0]=4 35726 B12R0.57 CCCCOCCOC(CF)CF 34a_100000032261_100000743108 [0,3,0,0,0,0|1,0,0]=4 35727 B12R0.57 CCCCOCCOC(CF)CF 7a_100000032261_100000743108 [0,3,0,0,0,0|1,0,0]=4 35728 B12R0.57 CCCCOCCOC(CN)CN 34a_100000031598_100000743108 [0,3,0,0,0,0|1,0,0]=4 35729 B12R0.57 CCCCOCCO[C@@H](CF)CCl 34a_100015614560_100000743108 [0,3,0,0,0,0|1,0,0]=4 35730 B12R0.57 CCCCOCCO[C@@H](CF)CCl 7a_100015614560_100000743108 [0,3,0,0,0,0|1,0,0]=4 35731 B12R0.57 CCCCOCCSC(CC)CC 62a_100000210505_100000743108 [0,3,0,0,0,0|0,0,0]=3 35732 B12R0.57 CCCCOCCSC(CC)CC 62a_100000743108_100000210505 [0,3,0,0,0,0|0,0,0]=3 35733 B12R0.57 CCCCOCNCC(CC)CC 2230a_100102946423_100011995733 [0,3,0,0,0,0|0,0,0]=3 35734 B12R0.57 CCCCOCOCC(CC)OC 34a_100011934954_100011995733 [0,3,0,0,0,0|0,0,0]=3 35735 B12R0.57 CCCCOCOCC(OC)OC 34a_100011216393_100011995733 [0,3,0,0,0,0|1,0,0]=4 35736 B12R0.57 CCCCOCSCC(CC)CC 62a_100011215472_100011995733 [0,3,0,0,0,0|0,0,0]=3 35737 B12R0.57 CCCCOCSCC(CC)CC 62a_100011995733_100011215472 [0,3,0,0,0,0|0,0,0]=3 35738 B12R0.57 CCCCOCSCC(OC)OC 62a_100000751394_100011995733 [0,3,0,0,0,0|1,0,0]=4 35739 B12R0.57 CCCCOCSCC(OC)OC 62a_100011995733_100000751394 [0,3,0,0,0,0|1,0,0]=4 35740 B12R0.57 CCCCSCCCC(OC)OC 62a_100000069011_100000210210 [0,3,0,0,0,0|0,1,0]=4 35741 B12R0.57 CCCCSCCCC(OC)OC 62a_100000210211_100000069011 [0,3,0,0,0,0|0,1,0]=4 35742 B12R0.57 CCCCSCCCN(CC)CC 62a_100000210211_100000709985 [0,3,0,0,0,0|0,1,0]=4 35743 B12R0.57 CCCCSCCNC(CC)CC 270004a_100025743550_100000210860 [0,3,0,0,0,0|0,1,0]=4 35744 B12R0.57 CCCCSCCOC(CC)CC 7a_200000230436_100000210505 [0,3,0,0,0,0|0,1,0]=4 35745 B12R0.57 CCCOCCNCC(CC)CC 2230a_100102946423_100011215938 [0,3,0,0,0,0|1,0,0]=4 35746 B12R0.57 CCCOCCNCC(CC)CC 2230a_100161115042_100011215472 [0,3,0,0,0,0|1,0,0]=4 35747 B12R0.57 CCCOCCNCC(CC)CC 269862a_100161115042_100000211137 [0,3,0,0,0,0|1,0,0]=4 35748 B12R0.57 CCCOCCNCC(CC)CC 270004a_100161115042_100000211137 [0,3,0,0,0,0|1,0,0]=4 35749 B12R0.57 CCCOCCNCC(CC)CC 34a_100161115042_100011215472 [0,3,0,0,0,0|1,0,0]=4 35750 B12R0.57 CCCOCCOCC(CC)CC 34a_100000752267_100011215472 [0,3,0,0,0,0|0,0,0]=3 35751 B12R0.57 CCCOCCOCC(CC)CC 7a_100000703878_100011215938 [0,3,0,0,0,0|0,0,0]=3 35752 B12R0.57 CCCOCCOCC(CC)CC 7a_100000752267_100011215472 [0,3,0,0,0,0|0,0,0]=3 35753 B12R0.57 CCCOCCOCC(CC)OC 34a_100011934954_100011215938 [0,3,0,0,0,0|0,0,0]=3 35754 B12R0.57 CCCOCCOCC(CC)OC 7a_100011934954_100011215938 [0,3,0,0,0,0|0,0,0]=3 35755 B12R0.57 CCCOCCOCC(OC)OC 34a_100000752267_100000211822 [0,3,0,0,0,0|1,0,0]=4 35756 B12R0.57 CCCOCCOCC(OC)OC 34a_100011216393_100011215938 [0,3,0,0,0,0|1,0,0]=4 35757 B12R0.57 CCCOCCOCC(OC)OC 7a_100000752267_100000751394 [0,3,0,0,0,0|1,0,0]=4 35758 B12R0.57 CCCOCCOCN(CC)CC 7a_200015374951_100011215938 [0,3,0,0,0,0|1,0,0]=4 35759 B12R0.57 CCCOCCSCC(CC)CC 62a_100011215472_100011215938 [0,3,0,0,0,0|0,1,0]=4 35760 B12R0.57 CCCOCCSCC(CC)CC 62a_100011215938_100011215472 [0,3,0,0,0,0|0,1,0]=4 35761 B12R0.57 CCCSCCNCC(CC)CC 2230a_100020603323_100011215472 [0,3,0,0,0,0|1,0,0]=4 35762 B12R0.57 CCCSCCNCC(CC)CC 269862a_100020603323_100000211137 [0,3,0,0,0,0|1,0,0]=4 35763 B12R0.57 CCCSCCNCC(CC)CC 270004a_100020603323_100000211137 [0,3,0,0,0,0|1,0,0]=4 35764 B12R0.57 CCCSCCOCC(CC)CC 34a_200000230433_100011215472 [0,3,0,0,0,0|0,0,0]=3 35765 B12R0.57 CCCSCCOCC(CC)CC 7a_200000230433_100011215472 [0,3,0,0,0,0|0,0,0]=3 35766 B12R0.57 CCCSCCOCC(OC)OC 34a_200000230433_100000211822 [0,3,0,0,0,0|1,0,0]=4 35767 B12R0.57 CCCSCCOCC(OC)OC 7a_200000230433_100000751394 [0,3,0,0,0,0|1,0,0]=4 35768 B12R0.57 CCN(CC)CCCOCCCF 7a_100000212844_100011934791 [0,3,0,0,0,0|1,0,0]=4 35769 B12R0.57 CCN(CC)CCCOCCCO 7a_100000212844_100011215043 [0,3,0,0,0,0|1,0,0]=4 35770 B12R0.57 CCN(CC)CCCOCCOC 2230a_100000724800_100011216529 [0,3,0,0,0,0|1,0,0]=4 35771 B12R0.57 CCN(CC)CCCOCCOC 269956a_100000042499_100011216529 [0,3,0,0,0,0|1,0,0]=4 35772 B12R0.57 CCN(CC)CCCOCCOC 269982a_100000724800_100011216529 [0,3,0,0,0,0|1,0,0]=4 35773 B12R0.57 CCN(CC)CCCOCCOC 7a_100000212844_100000233755 [0,3,0,0,0,0|1,0,0]=4 35774 B12R0.57 CCN(CC)CCCOCCSC 7a_100000212844_100000212216 [0,3,0,0,0,0|1,0,0]=4 35775 B12R0.57 CCN(CC)CCCOCCSC 7a_100000230434_100000709985 [0,3,0,0,0,0|1,0,0]=4 35776 B12R0.57 CCN(CC)CCOCCCCCl 7a_100000210776_100000700428 [0,3,0,0,0,0|1,0,0]=4 35777 B12R0.57 CCN(CC)CCOCCCCF 7a_100011995726_100000700428 [0,3,0,0,0,0|1,0,0]=4 35778 B12R0.57 CCN(CC)CCOCCCCF 7a_100016990331_100000729493 [0,3,0,0,0,0|1,0,0]=4 35779 B12R0.57 CCN(CC)CCOCCCCO 7a_100016990331_100000210776 [0,3,0,0,0,0|1,0,0]=4 35780 B12R0.57 CCN(CC)CCOCCCOC 7a_100016990331_100000740836 [0,3,0,0,0,0|1,0,0]=4 35781 B12R0.57 CCN(CC)CCOCCCSC 7a_100000690336_100000700428 [0,3,0,0,0,0|1,0,0]=4 35782 B12R0.57 CCN(CC)COCCCCCF 7a_200015374951_100000729378 [0,3,0,0,0,0|1,0,0]=4 35783 B12R0.57 CCN(CC)COCCCCCO 7a_200015374951_100000746330 [0,3,0,0,0,0|1,0,0]=4 35784 B12R0.57 CCN(CC)COCCCCOC 7a_200015374951_100000730899 [0,3,0,0,0,0|1,0,0]=4 35785 B12R0.57 CCOCCCNCC(CC)CC 2230a_100000210961_100011215472 [0,3,0,0,0,0|1,0,0]=4 35786 B12R0.57 CCOCCCNCC(CC)CC 2230a_100102946423_100012232248 [0,3,0,0,0,0|1,0,0]=4 35787 B12R0.57 CCOCCCNCC(CC)CC 269862a_100000210961_100000211137 [0,3,0,0,0,0|1,0,0]=4 35788 B12R0.57 CCOCCCNCC(CC)CC 270004a_100000210961_100000211137 [0,3,0,0,0,0|1,0,0]=4 35789 B12R0.57 CCOCCCNCC(CC)CC 34a_100000210961_100011215472 [0,3,0,0,0,0|1,0,0]=4 35790 B12R0.57 CCOCCCOCC(CC)CC 34a_100000757476_100011215472 [0,3,0,0,0,0|0,0,0]=3 35791 B12R0.57 CCOCCCOCC(CC)CC 7a_100000703878_100012232248 [0,3,0,0,0,0|0,0,0]=3 35792 B12R0.57 CCOCCCOCC(CC)CC 7a_100000757476_100011215472 [0,3,0,0,0,0|0,0,0]=3 35793 B12R0.57 CCOCCCOCC(CC)OC 34a_100011934954_100012232248 [0,3,0,0,0,0|0,0,0]=3 35794 B12R0.57 CCOCCCOCC(CC)OC 7a_100011934954_100012232248 [0,3,0,0,0,0|0,0,0]=3 35795 B12R0.57 CCOCCCOCC(OC)OC 34a_100000757476_100000211822 [0,3,0,0,0,0|1,0,0]=4 35796 B12R0.57 CCOCCCOCC(OC)OC 34a_100011216393_100012232248 [0,3,0,0,0,0|1,0,0]=4 35797 B12R0.57 CCOCCCOCC(OC)OC 7a_100000757476_100000751394 [0,3,0,0,0,0|1,0,0]=4 35798 B12R0.57 CCOCCCOCN(CC)CC 7a_200015374951_100012232248 [0,3,0,0,0,0|1,0,0]=4 35799 B12R0.57 CCOCCCSCC(CC)CC 62a_100011215472_100012232248 [0,3,0,0,0,0|0,1,0]=4 35800 B12R0.57 CCOCCCSCC(CC)CC 62a_100012232248_100011215472 [0,3,0,0,0,0|0,1,0]=4 35801 B12R0.57 CCOCCOCCC(OC)OC 34a_100000210136_100000139399 [0,3,0,0,0,0|1,0,0]=4 35802 B12R0.57 CCOCCOCCC(OC)OC 7a_100000210136_100009813347 [0,3,0,0,0,0|1,0,0]=4 35803 B12R0.57 CCOCCOCCN(CC)CC 2230a_100000724800_100011211534 [0,3,0,0,0,0|1,0,0]=4 35804 B12R0.57 CCOCCOCCN(CC)CC 269956a_100000042499_100011211534 [0,3,0,0,0,0|1,0,0]=4 35805 B12R0.57 CCOCCOCCN(CC)CC 269982a_100000724800_100011211534 [0,3,0,0,0,0|1,0,0]=4 35806 B12R0.57 CCOCCOCCN(CC)CC 7a_100000210136_100000700428 [0,3,0,0,0,0|1,0,0]=4 35807 B12R0.57 CCOCCOCCN(CC)CC 7a_100011217740_100000210202 [0,3,0,0,0,0|1,0,0]=4 35808 B12R0.57 CCOCCOCCN(CC)CC 7a_100016990331_100011215890 [0,3,0,0,0,0|1,0,0]=4 35809 B12R0.57 CCSCCCOCC(CC)CC 34a_100011216438_100011215472 [0,3,0,0,0,0|0,0,0]=3 35810 B12R0.57 CCSCCCOCC(CC)CC 7a_100011216438_100011215472 [0,3,0,0,0,0|0,0,0]=3 35811 B12R0.57 CCSCCCOCC(OC)OC 34a_100011216438_100000211822 [0,3,0,0,0,0|1,0,0]=4 35812 B12R0.57 CCSCCCOCC(OC)OC 7a_100011216438_100000751394 [0,3,0,0,0,0|1,0,0]=4 35813 B12R0.57 CCSCCOCCC(OC)OC 34a_100000212035_100000139399 [0,3,0,0,0,0|1,0,0]=4 35814 B12R0.57 CCSCCOCCC(OC)OC 7a_100000212035_100009813347 [0,3,0,0,0,0|1,0,0]=4 35815 B12R0.57 CCSCCOCCN(CC)CC 7a_100000212035_100000700428 [0,3,0,0,0,0|1,0,0]=4 35816 B12R0.57 CCSCCOCCN(CC)CC 7a_100016990331_100000757381 [0,3,0,0,0,0|1,0,0]=4 35817 B12R0.57 CC[C@@H](CO)NCCOCCOC 2230a_100000709445_100000695917 [0,3,0,0,0,0|1,0,0]=4 35818 B12R0.57 CNCCCOCCC(OC)OC 34a_100000213112_100000139399 [0,3,0,0,0,0|1,0,0]=4 35819 B12R0.57 COC(CCCOCCCBr)OC 34a_100011217188_100000069011 [0,3,0,0,0,0|1,0,0]=4 35820 B12R0.57 COC(CCCOCCCCl)OC 34a_100000230001_100000069011 [0,3,0,0,0,0|1,0,0]=4 35821 B12R0.57 COC(CCCOCCCF)OC 34a_100000759539_100000069011 [0,3,0,0,0,0|1,0,0]=4 35822 B12R0.57 COC(CCCOCCCN)OC 34a_100000182051_100000069011 [0,3,0,0,0,0|1,0,0]=4 35823 B12R0.57 COC(CCCOCCSC)OC 34a_100000230434_100000069011 [0,3,0,0,0,0|1,0,0]=4 35824 B12R0.57 COC(CCCOCCSC)OC 7a_100000230434_100000069011 [0,3,0,0,0,0|1,0,0]=4 35825 B12R0.57 COC(CCOCCCCBr)OC 34a_100011216708_100000139399 [0,3,0,0,0,0|1,0,0]=4 35826 B12R0.57 COC(CCOCCCCCl)OC 34a_100000210776_100000139399 [0,3,0,0,0,0|1,0,0]=4 35827 B12R0.57 COC(CCOCCCCCl)OC 7a_100000210776_100009813347 [0,3,0,0,0,0|1,0,0]=4 35828 B12R0.57 COC(CCOCCCCF)OC 34a_100011995726_100000139399 [0,3,0,0,0,0|1,0,0]=4 35829 B12R0.57 COC(CCOCCCCF)OC 7a_100011995726_100009813347 [0,3,0,0,0,0|1,0,0]=4 35830 B12R0.57 COC(CCOCCCCI)OC 34a_200012148704_100000139399 [0,3,0,0,0,0|1,0,0]=4 35831 B12R0.57 COC(CCOCCCCN)OC 34a_100000750430_100000139399 [0,3,0,0,0,0|1,0,0]=4 35832 B12R0.57 COC(CCOCCCSC)OC 34a_100000690336_100000139399 [0,3,0,0,0,0|1,0,0]=4 35833 B12R0.57 COC(CCOCCCSC)OC 7a_100000690336_100009813347 [0,3,0,0,0,0|1,0,0]=4 35834 B12R0.57 COC(COCCCCCBr)OC 34a_100000746331_100000211822 [0,3,0,0,0,0|1,0,0]=4 35835 B12R0.57 COC(COCCCCCBr)OC 7a_100000746331_100000751394 [0,3,0,0,0,0|1,0,0]=4 35836 B12R0.57 COC(COCCCCCCl)OC 34a_100000746330_100000211822 [0,3,0,0,0,0|1,0,0]=4 35837 B12R0.57 COC(COCCCCCCl)OC 7a_100000746330_100000751394 [0,3,0,0,0,0|1,0,0]=4 35838 B12R0.57 COC(COCCCCCF)OC 34a_100011216393_100000729378 [0,3,0,0,0,0|1,0,0]=4 35839 B12R0.57 COC(COCCCCCI)OC 34a_200012148887_100000211822 [0,3,0,0,0,0|1,0,0]=4 35840 B12R0.57 COC(COCCCCCI)OC 7a_200012148887_100000751394 [0,3,0,0,0,0|1,0,0]=4 35841 B12R0.57 COC(COCCCCCN)OC 34a_100000762737_100000211822 [0,3,0,0,0,0|1,0,0]=4 35842 B12R0.57 COC(COCCCCCO)OC 34a_100011216393_100000746330 [0,3,0,0,0,0|1,0,0]=4 35843 B12R0.57 COC(COCCCCSC)OC 34a_100011217163_100000211822 [0,3,0,0,0,0|1,0,0]=4 35844 B12R0.57 COC(COCCCCSC)OC 7a_100011217163_100000751394 [0,3,0,0,0,0|1,0,0]=4 35845 B12R0.57 COCCCCOCC(OC)OC 34a_100000740925_100000211822 [0,3,0,0,0,0|1,0,0]=4 35846 B12R0.57 COCCCCOCC(OC)OC 34a_100011216393_100000755781 [0,3,0,0,0,0|1,0,0]=4 35847 B12R0.57 COCCCOCCC(OC)OC 34a_100000740835_100000139399 [0,3,0,0,0,0|1,0,0]=4 35848 B12R0.57 COCCOCCCC(OC)OC 34a_100000210237_100000069011 [0,3,0,0,0,0|1,0,0]=4 35849 B12R0.142 CCC#CCC(C)OCC(C)CC 34a_200000035118_100000748023 [0,3,0,0,0,0|0,0,1]=4 35850 B12R0.142 CCC#CCC(C)OCC(C)CC 7a_200000035118_100000748023 [0,3,0,0,0,0|0,0,1]=4 35851 B12R0.142 CCC#CCC(C)OCC(O)CC 34a_200000035118_100011218378 [0,3,0,0,0,0|0,0,1]=4 35852 B12R0.142 CCC#CCC(C)OCC(O)CC 7a_200000035118_100011218378 [0,3,0,0,0,0|0,0,1]=4 35853 B12R0.142 CCC#CCC(C)OC[C@@H](C)CC 34a_200000035118_100009816398 [0,3,0,0,0,0|0,0,1]=4 35854 B12R0.142 CCC#CCC(C)OC[C@@H](C)CC 7a_200000035118_100009816398 [0,3,0,0,0,0|0,0,1]=4 35855 B12R0.142 CCC(=O)COC(C)CCCOC 7a_200011539412_100000747405 [0,3,0,0,0,0|0,0,1]=4 35856 B12R0.142 CCC(C)CCC(=O)CCCCF 1458a_100000701222_100000729493 [0,3,0,0,0,0|1,0,0]=4 35857 B12R0.142 CCC(C)CCC(=O)CCCCO 1458a_100000701222_100000210776 [0,3,0,0,0,0|1,0,0]=4 35858 B12R0.142 CCC(C)CCC(=O)CCCOC 1458a_100000701222_100000740836 [0,3,0,0,0,0|1,0,0]=4 35859 B12R0.142 CCC(C)CCC(C)OCCCF 7a_200011216552_100011934791 [0,3,0,0,0,0|1,0,0]=4 35860 B12R0.142 CCC(C)CCC(C)OCCCO 7a_200011216552_100011215043 [0,3,0,0,0,0|1,0,0]=4 35861 B12R0.142 CCC(C)CCC(C)OCCOC 7a_200011216552_100000233755 [0,3,0,0,0,0|1,0,0]=4 35862 B12R0.142 CCC(C)CCC(C)OCCSC 7a_200011216552_100000212216 [0,3,0,0,0,0|1,0,0]=4 35863 B12R0.142 CCC(C)CNC(C)CCCSC 270004a_100020588543_100011399439 [0,3,0,0,0,0|1,0,0]=4 35864 B12R0.142 CCC(C)COC(C)CCCOC 34a_200011539412_100000748023 [0,3,0,0,0,0|0,0,0]=3 35865 B12R0.142 CCC(C)COC(C)CCCOC 7a_200011539412_100000748023 [0,3,0,0,0,0|0,0,0]=3 35866 B12R0.142 CCC(O)CNC(C)CCCSC 270004a_100011218483_100011399439 [0,3,0,0,0,0|1,0,0]=4 35867 B12R0.142 CCC(O)COC(C)CCCOC 34a_200011539412_100011218378 [0,3,0,0,0,0|0,0,0]=3 35868 B12R0.142 CCC(O)COC(C)CCCOC 7a_200011539412_100011218378 [0,3,0,0,0,0|0,0,0]=3 35869 B12R0.142 CCCCCC(=O)CCC(C)CC 1458a_100000701222_100000210326 [0,3,0,0,0,0|1,0,0]=4 35870 B12R0.142 CCCCCC(=O)CCN(C)CC 1458a_100000755305_100000210326 [0,3,0,0,0,0|1,0,0]=4 35871 B12R0.142 CCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210326 [0,3,0,0,0,0|1,0,0]=4 35872 B12R0.142 CCCCCC(=O)CNC(C)CC 2230a_100000209981_200012276598 [0,3,0,0,0,0|1,0,0]=4 35873 B12R0.142 CCCCCC(=O)COC(C)CC 7a_100000210228_200012276598 [0,3,0,0,0,0|1,0,0]=4 35874 B12R0.142 CCCCCC(=O)CSC(C)CC 62a_100000758301_200012276598 [0,3,0,0,0,0|1,0,0]=4 35875 B12R0.142 CCCCCC(=O)CSC(C)CC 62a_200012276598_100000758301 [0,3,0,0,0,0|1,0,0]=4 35876 B12R0.142 CCCCCC(=O)NCC(C)CC 11a_100020588543_100000212188 [0,3,0,0,0,0|1,0,0]=4 35877 B12R0.142 CCCCCC(=O)NCC(C)CC 1626a_100020588543_100000212188 [0,3,0,0,0,0|1,0,0]=4 35878 B12R0.142 CCCCCC(=O)NCC(C)CC 240690a_100020588543_100000212188 [0,3,0,0,0,0|1,0,0]=4 35879 B12R0.142 CCCCCC(=O)NCC(C)CC 527a_100020588543_100000212188 [0,3,0,0,0,0|1,0,0]=4 35880 B12R0.142 CCCCCC(=O)NCC(O)CC 11a_100011218483_100000212188 [0,3,0,0,0,0|1,0,0]=4 35881 B12R0.142 CCCCCC(=O)NCC(O)CC 240690a_100011218483_100000212188 [0,3,0,0,0,0|1,0,0]=4 35882 B12R0.142 CCCCCC(=O)NCC(O)CC 527a_100011218483_100000212188 [0,3,0,0,0,0|1,0,0]=4 35883 B12R0.142 CCCCCC(C)CCC(=O)CC 1458a_100000034243_100000210202 [0,3,0,0,0,0|1,0,0]=4 35884 B12R0.142 CCCCCC(C)NCC(C)CC 2230a_100000211957_100000748023 [0,3,0,0,0,0|1,0,0]=4 35885 B12R0.142 CCCCCC(C)NCC(C)CC 2230a_100020588543_200011218191 [0,3,0,0,0,0|1,0,0]=4 35886 B12R0.142 CCCCCC(C)NCC(C)CC 270004a_100000211957_100000243153 [0,3,0,0,0,0|1,0,0]=4 35887 B12R0.142 CCCCCC(C)NCC(C)CC 270004a_100020588543_100000211708 [0,3,0,0,0,0|1,0,0]=4 35888 B12R0.142 CCCCCC(C)NCC(O)CC 2230a_100000211957_100011218378 [0,3,0,0,0,0|1,0,0]=4 35889 B12R0.142 CCCCCC(C)NCC(O)CC 2230a_100011218483_200011218191 [0,3,0,0,0,0|1,0,0]=4 35890 B12R0.142 CCCCCC(C)NCC(O)CC 270004a_100011218483_100000211708 [0,3,0,0,0,0|1,0,0]=4 35891 B12R0.142 CCCCCC(C)NC[C@@H](C)CC 2230a_100000211957_100009816398 [0,3,0,0,0,0|1,0,0]=4 35892 B12R0.142 CCCCCC(C)OCC(=O)CC 34a_100000725409_200011218191 [0,3,0,0,0,0|0,0,1]=4 35893 B12R0.142 CCCCCC(C)OCC(=O)CC 7a_100011215632_100000747405 [0,3,0,0,0,0|0,0,1]=4 35894 B12R0.142 CCCCCC(C)OCC(C)CC 34a_100011215632_100000748023 [0,3,0,0,0,0|0,0,0]=3 35895 B12R0.142 CCCCCC(C)OCC(C)CC 7a_100011215632_100000748023 [0,3,0,0,0,0|0,0,0]=3 35896 B12R0.142 CCCCCC(C)OCC(C)CN 34a_100000744482_200011218191 [0,3,0,0,0,0|1,0,0]=4 35897 B12R0.142 CCCCCC(C)OCC(C)OC 34a_100000690652_200011218191 [0,3,0,0,0,0|1,0,0]=4 35898 B12R0.142 CCCCCC(C)OCC(Cl)CCl 34a_100000033668_200011218191 [0,3,0,0,0,0|1,0,0]=4 35899 B12R0.142 CCCCCC(C)OCC(O)CC 34a_100011215632_100011218378 [0,3,0,0,0,0|0,0,0]=3 35900 B12R0.142 CCCCCC(C)OCC(O)CC 7a_100011215632_100011218378 [0,3,0,0,0,0|0,0,0]=3 35901 B12R0.142 CCCCCC(C)OCC(O)CO 34a_100011215632_100011219619 [0,3,0,0,0,0|1,0,0]=4 35902 B12R0.142 CCCCCC(C)OCC(O)CO 7a_100011215632_100011219619 [0,3,0,0,0,0|1,0,0]=4 35903 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 34a_100011215632_100009816398 [0,3,0,0,0,0|0,0,0]=3 35904 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 7a_100009816381_200011218191 [0,3,0,0,0,0|0,0,0]=3 35905 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 7a_100011215632_100009816398 [0,3,0,0,0,0|0,0,0]=3 35906 B12R0.142 CCCCCC(C)OC[C@@H](C)CO 34a_100011215632_100000059175 [0,3,0,0,0,0|1,0,0]=4 35907 B12R0.142 CCCCCC(C)OC[C@@H](C)CO 7a_100011215632_100000059175 [0,3,0,0,0,0|1,0,0]=4 35908 B12R0.142 CCCCCC(C)OC[C@@H](O)CF 34a_100011215632_100015614560 [0,3,0,0,0,0|1,0,0]=4 35909 B12R0.142 CCCCCC(C)OC[C@@H](O)CF 7a_100011215632_100015614560 [0,3,0,0,0,0|1,0,0]=4 35910 B12R0.142 CCCCCC(C)OC[C@@H](O)CO 34a_100011215632_100009815848 [0,3,0,0,0,0|1,0,0]=4 35911 B12R0.142 CCCCCC(C)OC[C@@H](O)CO 7a_100011215632_100009815848 [0,3,0,0,0,0|1,0,0]=4 35912 B12R0.142 CCCCCC(C)OC[C@H](F)CN 34a_100015665980_200011218191 [0,3,0,0,0,0|1,0,0]=4 35913 B12R0.142 CCCCCC(C)SCC(C)CC 62a_100000748023_200011218191 [0,3,0,0,0,0|0,1,0]=4 35914 B12R0.142 CCCCCC(C)SCC(C)CC 62a_200011218191_100000748023 [0,3,0,0,0,0|0,1,0]=4 35915 B12R0.142 CCCCCC(C)SCC(O)CC 62a_100011218378_200011218191 [0,3,0,0,0,0|0,1,0]=4 35916 B12R0.142 CCCCCC(C)SCC(O)CC 62a_200011218191_100011218378 [0,3,0,0,0,0|0,1,0]=4 35917 B12R0.142 CCCCCC(C)SC[C@@H](C)CC 62a_100009816398_200011218191 [0,3,0,0,0,0|0,1,0]=4 35918 B12R0.142 CCCCCC(C)SC[C@@H](C)CC 62a_200011218191_100009816398 [0,3,0,0,0,0|0,1,0]=4 35919 B12R0.142 CCCCCN(C)CCC(=O)CC 1458a_100016987678_100000210202 [0,3,0,0,0,0|1,0,0]=4 35920 B12R0.142 CCCCNC(=O)CCC(C)CC 11a_100000102301_100000701222 [0,3,0,0,0,0|1,0,0]=4 35921 B12R0.142 CCCCNC(=O)CCC(C)CC 1626a_100000102301_100000701222 [0,3,0,0,0,0|1,0,0]=4 35922 B12R0.142 CCCCNC(=O)CCC(C)CC 240690a_100000102301_100000701222 [0,3,0,0,0,0|1,0,0]=4 35923 B12R0.142 CCCCNC(=O)CCC(C)CC 527a_100000102301_100000701222 [0,3,0,0,0,0|1,0,0]=4 35924 B12R0.142 CCCCNC(=O)CCC(O)CC 1626a_100000102301_203496584001 [0,3,0,0,0,0|1,0,0]=4 35925 B12R0.142 CCCCNC(=O)CCC(O)CC 240690a_100000102301_203496584001 [0,3,0,0,0,0|1,0,0]=4 35926 B12R0.142 CCCCOC(=O)CNC(C)CC 2230a_100000209981_100000211628 [0,3,0,0,0,0|0,0,1]=4 35927 B12R0.142 CCCCOC(=O)COC(C)CC 7a_100000210228_100000211628 [0,3,0,0,0,0|0,0,1]=4 35928 B12R0.142 CCCCOC(=O)CSC(C)CC 62a_100000211628_100000758301 [0,3,0,0,0,0|0,0,1]=4 35929 B12R0.142 CCCCOC(=O)CSC(C)CC 62a_100000758301_100000211628 [0,3,0,0,0,0|0,0,1]=4 35930 B12R0.142 CCCCOC(C)CCC(C)CC 7a_200011216552_100000210211 [0,3,0,0,0,0|0,0,0]=3 35931 B12R0.142 CCCSCC(C)NCC(C)CC 270004a_100020588543_100011343953 [0,3,0,0,0,0|1,0,0]=4 35932 B12R0.142 CCCSCC(C)NCC(O)CC 270004a_100011218483_100011343953 [0,3,0,0,0,0|1,0,0]=4 35933 B12R0.142 CCOCCC(=O)CCC(C)CC 1458a_100000701222_100011215890 [0,3,0,0,0,0|1,0,0]=4 35934 B12R0.142 CCOCCC(C)NCC(C)CC 270004a_100020588543_200011216536 [0,3,0,0,0,0|1,0,0]=4 35935 B12R0.142 CCOCCC(C)NCC(O)CC 270004a_100011218483_200011216536 [0,3,0,0,0,0|1,0,0]=4 35936 B12R0.142 CCSCCC(=O)CCC(C)CC 1458a_100000701222_100000757381 [0,3,0,0,0,0|1,0,0]=4 35937 B12R0.142 CC[C@H](C)COC(C)CCCOC 34a_200011539412_100009816398 [0,3,0,0,0,0|0,0,0]=3 35938 B12R0.142 CC[C@H](C)COC(C)CCCOC 7a_200011539412_100009816398 [0,3,0,0,0,0|0,0,0]=3 35939 B12R0.142 COCCCC(C)OCC(O)CO 34a_200011539412_100011219619 [0,3,0,0,0,0|1,0,0]=4 35940 B12R0.142 COCCCC(C)OCC(O)CO 7a_200011539412_100011219619 [0,3,0,0,0,0|1,0,0]=4 35941 B12R0.142 COCCCC(C)OC[C@@H](C)CO 34a_200011539412_100000059175 [0,3,0,0,0,0|1,0,0]=4 35942 B12R0.142 COCCCC(C)OC[C@@H](C)CO 7a_200011539412_100000059175 [0,3,0,0,0,0|1,0,0]=4 35943 B12R0.142 COCCCC(C)OC[C@@H](O)CF 34a_200011539412_100015614560 [0,3,0,0,0,0|1,0,0]=4 35944 B12R0.142 COCCCC(C)OC[C@@H](O)CF 7a_200011539412_100015614560 [0,3,0,0,0,0|1,0,0]=4 35945 B12R0.142 COCCCC(C)OC[C@@H](O)CO 34a_200011539412_100009815848 [0,3,0,0,0,0|1,0,0]=4 35946 B12R0.142 COCCCC(C)OC[C@@H](O)CO 7a_200011539412_100009815848 [0,3,0,0,0,0|1,0,0]=4 35947 B12R0.183 CCC(=O)COCCCC(C)CC 7a_100011216074_100000747405 [0,3,0,0,0,0|0,0,1]=4 35948 B12R0.183 CCC(=O)NCCOCC(C)CC 34a_200000158885_100000748023 [0,3,0,0,0,0|0,0,1]=4 35949 B12R0.183 CCC(=O)NCCOCC(C)CC 7a_200000158885_100000748023 [0,3,0,0,0,0|0,0,1]=4 35950 B12R0.183 CCC(=O)NCCOCC(O)CC 34a_200000158885_100011218378 [0,3,0,0,0,0|0,0,1]=4 35951 B12R0.183 CCC(=O)NCCOCC(O)CC 7a_200000158885_100011218378 [0,3,0,0,0,0|0,0,1]=4 35952 B12R0.183 CCC(=O)NCCOC[C@@H](C)CC 34a_200000158885_100009816398 [0,3,0,0,0,0|0,0,1]=4 35953 B12R0.183 CCC(=O)NCCOC[C@@H](C)CC 7a_200000158885_100009816398 [0,3,0,0,0,0|0,0,1]=4 35954 B12R0.183 CCC(=O)OCCOCC(C)CC 7a_200000031056_100000748023 [0,3,0,0,0,0|0,0,1]=4 35955 B12R0.183 CCC(=O)OCCOCC(O)CC 7a_200000031056_100011218378 [0,3,0,0,0,0|0,0,1]=4 35956 B12R0.183 CCC(=O)OCCOC[C@@H](C)CC 7a_200000031056_100009816398 [0,3,0,0,0,0|0,0,1]=4 35957 B12R0.183 CCC(C)CCCOCC(C)CC 7a_100011216074_100000748023 [0,3,0,0,0,0|0,0,0]=3 35958 B12R0.183 CCC(C)CCCOCC(O)CC 7a_100011216074_100011218378 [0,3,0,0,0,0|0,0,0]=3 35959 B12R0.183 CCC(C)CCCOCC(O)CO 7a_100011216074_100011219619 [0,3,0,0,0,0|1,0,0]=4 35960 B12R0.183 CCC(C)CCCOC[C@@H](C)CC 7a_100011216074_100009816398 [0,3,0,0,0,0|0,0,0]=3 35961 B12R0.183 CCC(C)CCCOC[C@@H](C)CO 7a_100011216074_100000059175 [0,3,0,0,0,0|1,0,0]=4 35962 B12R0.183 CCC(C)CCCOC[C@@H](O)CF 7a_100011216074_100015614560 [0,3,0,0,0,0|1,0,0]=4 35963 B12R0.183 CCC(C)CCCOC[C@@H](O)CO 7a_100011216074_100009815848 [0,3,0,0,0,0|1,0,0]=4 35964 B12R0.183 CCC(C)CCOCCC(=O)NC 7a_100011215188_100000737683 [0,3,0,0,0,0|0,0,1]=4 35965 B12R0.183 CCC(C)CCOCCC(=O)OC 7a_100011215188_100000204255 [0,3,0,0,0,0|0,0,1]=4 35966 B12R0.183 CCC(C)CNCCCN(C)CC 2230a_100020588543_100015186262 [0,3,0,0,0,0|1,0,0]=4 35967 B12R0.183 CCC(C)COCCC[C@@H](C)CN 34a_100160569302_100000748023 [0,3,0,0,0,0|0,0,0]=3 35968 B12R0.183 CCC(C)CSCCCN(C)CC 62a_100000748023_100015186262 [0,3,0,0,0,0|0,1,0]=4 35969 B12R0.183 CCC(O)CNCCCN(C)CC 2230a_100011218483_100015186262 [0,3,0,0,0,0|1,0,0]=4 35970 B12R0.183 CCC(O)COCCC[C@@H](C)CN 34a_100160569302_100011218378 [0,3,0,0,0,0|0,0,0]=3 35971 B12R0.183 CCC(O)CSCCCN(C)CC 62a_100011218378_100015186262 [0,3,0,0,0,0|0,1,0]=4 35972 B12R0.183 CC[C@H](C)COCCCC(=O)NC 7a_100009816381_100000741757 [0,3,0,0,0,0|0,0,1]=4 35973 B12R0.183 CC[C@H](C)COCCCC(=O)OC 7a_100009816381_100011218270 [0,3,0,0,0,0|0,0,1]=4 35974 B12R0.183 CC[C@H](C)COCCCN(C)CC 7a_100009816381_100015186262 [0,3,0,0,0,0|0,0,0]=3 35975 B12R0.183 CC[C@H](C)COCCC[C@@H](C)CN 34a_100160569302_100009816398 [0,3,0,0,0,0|0,0,0]=3 35976 B12R0.183 CC[C@H](C)CSCCCN(C)CC 62a_100009816398_100015186262 [0,3,0,0,0,0|0,1,0]=4 35977 B12R0.183 C[C@@H](CN)CCCOCC(O)CO 34a_100160569302_100011219619 [0,3,0,0,0,0|1,0,0]=4 35978 B12R0.183 C[C@@H](CN)CCCOC[C@@H](C)CO 34a_100160569302_100000059175 [0,3,0,0,0,0|1,0,0]=4 35979 B12R0.183 C[C@@H](CN)CCCOC[C@@H](O)CF 34a_100160569302_100015614560 [0,3,0,0,0,0|1,0,0]=4 35980 B12R0.183 C[C@@H](CN)CCCOC[C@@H](O)CO 34a_100160569302_100009815848 [0,3,0,0,0,0|1,0,0]=4 35981 B12R0.248 C#CC(C)NCCCCCCCC 2230a_100000707721_100000210759 [0,3,0,0,0,0|1,0,0]=4 35982 B12R0.248 C#CC(C)NCCCCCCCC 34a_100000229939_200000035995 [0,3,0,0,0,0|1,0,0]=4 35983 B12R0.248 C#CC(C)NCCCCCCCC 34a_100000707721_100000210759 [0,3,0,0,0,0|1,0,0]=4 35984 B12R0.248 C#CC(C)NCCCOCCCC 34a_200000211371_200000035995 [0,3,0,0,0,0|0,0,0]=3 35985 B12R0.248 C#CC(C)NCCCOCCCO 34a_100011310245_200000035995 [0,3,0,0,0,0|1,0,0]=4 35986 B12R0.248 C#CC(C)NCCCOCCOC 2230a_100000707721_100011216529 [0,3,0,0,0,0|1,0,0]=4 35987 B12R0.248 C#CC(C)NCCCOCCOC 34a_100000206027_200000035995 [0,3,0,0,0,0|1,0,0]=4 35988 B12R0.248 C#CC(C)NCCCOCCOC 34a_100000707721_100011216529 [0,3,0,0,0,0|1,0,0]=4 35989 B12R0.248 C#CC(C)NCCOCCOCC 2230a_100000707721_100011211534 [0,3,0,0,0,0|1,0,0]=4 35990 B12R0.248 C#CC(C)NCCOCCOCC 34a_100000707721_100011211534 [0,3,0,0,0,0|1,0,0]=4 35991 B12R0.248 C#CC(C)NCCOCCOCC 34a_100102712874_200000035995 [0,3,0,0,0,0|1,0,0]=4 35992 B12R0.248 C#CC(C)OCCCCCCCC 34a_100000210232_200000035995 [0,3,0,0,0,0|1,0,0]=4 35993 B12R0.248 C#CC(C)OCCCOCCCC 34a_200011215613_200000035995 [0,3,0,0,0,0|0,0,0]=3 35994 B12R0.248 C#CC(C)OCCCOCCCN 34a_100011310245_200000035995 [0,3,0,0,0,0|1,0,0]=4 35995 B12R0.248 C#CC(C)OCCNCCCCC 34a_100000224656_200000035995 [0,3,0,0,0,0|1,0,0]=4 35996 B12R0.248 C#CC(C)OCCOCCCCC 34a_100011215259_200000035995 [0,3,0,0,0,0|0,0,0]=3 35997 B12R0.248 C#CC(C)OCCOCCOCC 34a_100000210240_200000035995 [0,3,0,0,0,0|1,0,0]=4 35998 B12R0.248 C#CC(C)SCCCCCCCC 62a_200000035995_100000210317 [0,3,0,0,0,0|1,0,0]=4 35999 B12R0.248 C#CC(C)SCCCOCCOC 62a_200000035995_100011216529 [0,3,0,0,0,0|1,0,0]=4 36000 B12R0.248 C#CC(C)SCCOCCOCC 62a_200000035995_100011211534 [0,3,0,0,0,0|1,0,0]=4 36001 B12R0.248 C#CCCCCCNCC(C)CC 2230a_100020588543_100012094781 [0,3,0,0,0,0|1,0,0]=4 36002 B12R0.248 C#CCCCCCNCC(O)CC 2230a_100011218483_100012094781 [0,3,0,0,0,0|1,0,0]=4 36003 B12R0.248 C#CCCCCCOCC(=O)CC 34a_100000725409_100012094781 [0,3,0,0,0,0|0,0,1]=4 36004 B12R0.248 C#CCCCCCOCC(=O)CC 7a_100000766912_100000747405 [0,3,0,0,0,0|0,0,1]=4 36005 B12R0.248 C#CCCCCCOCC(C)CC 34a_100000766912_100000748023 [0,3,0,0,0,0|0,0,0]=3 36006 B12R0.248 C#CCCCCCOCC(C)CC 7a_100000766912_100000748023 [0,3,0,0,0,0|0,0,0]=3 36007 B12R0.248 C#CCCCCCOCC(C)CN 34a_100000744482_100012094781 [0,3,0,0,0,0|1,0,0]=4 36008 B12R0.248 C#CCCCCCOCC(C)OC 34a_100000690652_100012094781 [0,3,0,0,0,0|1,0,0]=4 36009 B12R0.248 C#CCCCCCOCC(Cl)CCl 34a_100000033668_100012094781 [0,3,0,0,0,0|1,0,0]=4 36010 B12R0.248 C#CCCCCCOCC(O)CC 34a_100000766912_100011218378 [0,3,0,0,0,0|0,0,0]=3 36011 B12R0.248 C#CCCCCCOCC(O)CC 7a_100000766912_100011218378 [0,3,0,0,0,0|0,0,0]=3 36012 B12R0.248 C#CCCCCCOCC(O)CO 34a_100000766912_100011219619 [0,3,0,0,0,0|1,0,0]=4 36013 B12R0.248 C#CCCCCCOCC(O)CO 7a_100000766912_100011219619 [0,3,0,0,0,0|1,0,0]=4 36014 B12R0.248 C#CCCCCCOC[C@@H](C)CC 34a_100000766912_100009816398 [0,3,0,0,0,0|0,0,0]=3 36015 B12R0.248 C#CCCCCCOC[C@@H](C)CC 7a_100000766912_100009816398 [0,3,0,0,0,0|0,0,0]=3 36016 B12R0.248 C#CCCCCCOC[C@@H](C)CC 7a_100009816381_100012094781 [0,3,0,0,0,0|0,0,0]=3 36017 B12R0.248 C#CCCCCCOC[C@@H](C)CO 34a_100000766912_100000059175 [0,3,0,0,0,0|1,0,0]=4 36018 B12R0.248 C#CCCCCCOC[C@@H](C)CO 7a_100000766912_100000059175 [0,3,0,0,0,0|1,0,0]=4 36019 B12R0.248 C#CCCCCCOC[C@@H](O)CF 34a_100000766912_100015614560 [0,3,0,0,0,0|1,0,0]=4 36020 B12R0.248 C#CCCCCCOC[C@@H](O)CF 7a_100000766912_100015614560 [0,3,0,0,0,0|1,0,0]=4 36021 B12R0.248 C#CCCCCCOC[C@@H](O)CO 34a_100000766912_100009815848 [0,3,0,0,0,0|1,0,0]=4 36022 B12R0.248 C#CCCCCCOC[C@@H](O)CO 7a_100000766912_100009815848 [0,3,0,0,0,0|1,0,0]=4 36023 B12R0.248 C#CCCCCCOC[C@H](F)CN 34a_100015665980_100012094781 [0,3,0,0,0,0|1,0,0]=4 36024 B12R0.248 C#CCCCCCSCC(C)CC 62a_100000748023_100012094781 [0,3,0,0,0,0|0,1,0]=4 36025 B12R0.248 C#CCCCCCSCC(C)CC 62a_100012094781_100000748023 [0,3,0,0,0,0|0,1,0]=4 36026 B12R0.248 C#CCCCCCSCC(O)CC 62a_100011218378_100012094781 [0,3,0,0,0,0|0,1,0]=4 36027 B12R0.248 C#CCCCCCSCC(O)CC 62a_100012094781_100011218378 [0,3,0,0,0,0|0,1,0]=4 36028 B12R0.248 C#CCCCCCSC[C@@H](C)CC 62a_100009816398_100012094781 [0,3,0,0,0,0|0,1,0]=4 36029 B12R0.248 C#CCCCCCSC[C@@H](C)CC 62a_100012094781_100009816398 [0,3,0,0,0,0|0,1,0]=4 36030 B12R0.248 C#CCCCCNCCC(C)CC 2230a_100020591266_100010269958 [0,3,0,0,0,0|1,0,0]=4 36031 B12R0.248 C#CCCCCOCCC(C)CC 7a_100011215188_100010269958 [0,3,0,0,0,0|0,0,0]=3 36032 B12R0.248 C#CCCCCOCCC(C)OC 7a_100000764861_100010269958 [0,3,0,0,0,0|0,0,1]=4 36033 B12R0.248 C#CCCCOCCCC(C)CC 7a_100011216074_100011215417 [0,3,0,0,0,0|0,0,1]=4 36034 B12R0.248 C#CCCCOCCCN(C)CC 7a_100000215630_100015186262 [0,3,0,0,0,0|0,0,1]=4 36035 B12R0.248 C#CCCCOCCC[C@@H](C)CN 34a_100160569302_100000695029 [0,3,0,0,0,0|0,0,1]=4 36036 B12R0.248 C#CCOCCOCCC(C)CC 7a_100011215188_100010402529 [0,3,0,0,0,0|0,0,1]=4 36037 B12R0.248 C#C[C@@H](C)OCCCCCCCC 34a_100009815206_100000210759 [0,3,0,0,0,0|1,0,0]=4 36038 B12R0.248 C#C[C@@H](C)OCCCCCCCC 7a_100009815206_100000210759 [0,3,0,0,0,0|1,0,0]=4 36039 B12R0.248 C#C[C@@H](C)OCCCOCCOC 34a_100009815206_100011216529 [0,3,0,0,0,0|1,0,0]=4 36040 B12R0.248 C#C[C@@H](C)OCCCOCCOC 7a_100009815206_100011216529 [0,3,0,0,0,0|1,0,0]=4 36041 B12R0.248 C#C[C@@H](C)OCCOCCOCC 34a_100009815206_100011211534 [0,3,0,0,0,0|1,0,0]=4 36042 B12R0.248 C#C[C@@H](C)OCCOCCOCC 7a_100009815206_100011211534 [0,3,0,0,0,0|1,0,0]=4 36043 B12R0.248 C=CC(C)COCCCCCCC 34a_100011215527_100000210614 [0,3,0,0,0,0|1,0,0]=4 36044 B12R0.248 C=CC(C)COCCCCCCC 7a_100011215527_100000210614 [0,3,0,0,0,0|1,0,0]=4 36045 B12R0.248 C=CC(C)COCCOCCCC 34a_100011215527_100000743108 [0,3,0,0,0,0|0,0,0]=3 36046 B12R0.248 C=CC(C)COCCOCCCC 7a_100011215527_100000743108 [0,3,0,0,0,0|0,0,0]=3 36047 B12R0.248 C=CC(C)COCCOCCOC 34a_100011215527_100000695917 [0,3,0,0,0,0|1,0,0]=4 36048 B12R0.248 C=CC(C)COCCOCCOC 7a_100011215527_100000695917 [0,3,0,0,0,0|1,0,0]=4 36049 B12R0.248 C=CC(C)OCCCCCCCC 34a_100000695699_100000210759 [0,3,0,0,0,0|1,0,0]=4 36050 B12R0.248 C=CC(C)OCCCOCCOC 34a_100000695699_100011216529 [0,3,0,0,0,0|1,0,0]=4 36051 B12R0.248 C=CC(C)OCCOCCOCC 34a_100000695699_100011211534 [0,3,0,0,0,0|1,0,0]=4 36052 B12R0.248 C=CC(C)SCCCCCCCC 62a_100011215867_100000210317 [0,3,0,0,0,0|1,0,0]=4 36053 B12R0.248 C=CC(C)SCCCOCCOC 62a_100011215867_100011216529 [0,3,0,0,0,0|1,0,0]=4 36054 B12R0.248 C=CC(C)SCCOCCOCC 62a_100011215867_100011211534 [0,3,0,0,0,0|1,0,0]=4 36055 B12R0.248 C=CC(O)COCCOCCCC 34a_100000210238_100000730141 [0,3,0,0,0,0|0,0,1]=4 36056 B12R0.248 C=CC(O)COCCOCCCC 7a_100000210238_100000730141 [0,3,0,0,0,0|0,0,1]=4 36057 B12R0.248 C=CC(O)CSCCOCCCC 62a_100000730141_100000743108 [0,3,0,0,0,0|0,0,1]=4 36058 B12R0.248 C=CC(O)CSCCOCCCC 62a_100000743108_100000730141 [0,3,0,0,0,0|0,0,1]=4 36059 B12R0.248 C=CCCCCCNCC(C)CC 2230a_100020588543_100000700193 [0,3,0,0,0,0|1,0,0]=4 36060 B12R0.248 C=CCCCCCNCC(O)CC 2230a_100011218483_100000700193 [0,3,0,0,0,0|1,0,0]=4 36061 B12R0.248 C=CCCCCCOCC(=O)CC 34a_100000725409_100000700193 [0,3,0,0,0,0|0,0,1]=4 36062 B12R0.248 C=CCCCCCOCC(=O)CC 7a_100011216702_100000747405 [0,3,0,0,0,0|0,0,1]=4 36063 B12R0.248 C=CCCCCCOCC(C)CC 34a_100011216702_100000748023 [0,3,0,0,0,0|0,0,0]=3 36064 B12R0.248 C=CCCCCCOCC(C)CC 7a_100011216702_100000748023 [0,3,0,0,0,0|0,0,0]=3 36065 B12R0.248 C=CCCCCCOCC(C)CN 34a_100000744482_100000700193 [0,3,0,0,0,0|1,0,0]=4 36066 B12R0.248 C=CCCCCCOCC(C)OC 34a_100000690652_100000700193 [0,3,0,0,0,0|1,0,0]=4 36067 B12R0.248 C=CCCCCCOCC(Cl)CCl 34a_100000033668_100000700193 [0,3,0,0,0,0|1,0,0]=4 36068 B12R0.248 C=CCCCCCOCC(O)CC 34a_100011216702_100011218378 [0,3,0,0,0,0|0,0,0]=3 36069 B12R0.248 C=CCCCCCOCC(O)CC 7a_100011216702_100011218378 [0,3,0,0,0,0|0,0,0]=3 36070 B12R0.248 C=CCCCCCOCC(O)CO 34a_100011216702_100011219619 [0,3,0,0,0,0|1,0,0]=4 36071 B12R0.248 C=CCCCCCOCC(O)CO 7a_100011216702_100011219619 [0,3,0,0,0,0|1,0,0]=4 36072 B12R0.248 C=CCCCCCOC[C@@H](C)CC 34a_100011216702_100009816398 [0,3,0,0,0,0|0,0,0]=3 36073 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100009816381_100000700193 [0,3,0,0,0,0|0,0,0]=3 36074 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100011216702_100009816398 [0,3,0,0,0,0|0,0,0]=3 36075 B12R0.248 C=CCCCCCOC[C@@H](C)CO 34a_100011216702_100000059175 [0,3,0,0,0,0|1,0,0]=4 36076 B12R0.248 C=CCCCCCOC[C@@H](C)CO 7a_100011216702_100000059175 [0,3,0,0,0,0|1,0,0]=4 36077 B12R0.248 C=CCCCCCOC[C@@H](O)CF 34a_100011216702_100015614560 [0,3,0,0,0,0|1,0,0]=4 36078 B12R0.248 C=CCCCCCOC[C@@H](O)CF 7a_100011216702_100015614560 [0,3,0,0,0,0|1,0,0]=4 36079 B12R0.248 C=CCCCCCOC[C@@H](O)CO 34a_100011216702_100009815848 [0,3,0,0,0,0|1,0,0]=4 36080 B12R0.248 C=CCCCCCOC[C@@H](O)CO 7a_100011216702_100009815848 [0,3,0,0,0,0|1,0,0]=4 36081 B12R0.248 C=CCCCCCOC[C@H](F)CN 34a_100015665980_100000700193 [0,3,0,0,0,0|1,0,0]=4 36082 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000700193_100000748023 [0,3,0,0,0,0|0,1,0]=4 36083 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000748023_100000700193 [0,3,0,0,0,0|0,1,0]=4 36084 B12R0.248 C=CCCCCCSCC(O)CC 62a_100000700193_100011218378 [0,3,0,0,0,0|0,1,0]=4 36085 B12R0.248 C=CCCCCCSCC(O)CC 62a_100011218378_100000700193 [0,3,0,0,0,0|0,1,0]=4 36086 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100000700193_100009816398 [0,3,0,0,0,0|0,1,0]=4 36087 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100009816398_100000700193 [0,3,0,0,0,0|0,1,0]=4 36088 B12R0.248 C=CCCCCNCCC(C)CC 2230a_100020591266_100011215482 [0,3,0,0,0,0|1,0,0]=4 36089 B12R0.248 C=CCCCCOCCC(C)CC 7a_100011215188_100011215482 [0,3,0,0,0,0|0,0,0]=3 36090 B12R0.248 C=CCCCCOCCC(C)OC 7a_100000764861_100011215482 [0,3,0,0,0,0|0,0,1]=4 36091 B12R0.248 C=CCCCOCCCC(C)CC 7a_100011216074_100000757094 [0,3,0,0,0,0|0,0,1]=4 36092 B12R0.248 C=CCCCOCCCN(C)CC 7a_100000758997_100015186262 [0,3,0,0,0,0|0,0,1]=4 36093 B12R0.248 C=CCCCOCCC[C@@H](C)CN 34a_100160569302_100000757094 [0,3,0,0,0,0|0,0,1]=4 36094 B12R0.248 C=COCCCCOCC(C)CC 34a_100000031558_100000748023 [0,3,0,0,0,0|0,0,1]=4 36095 B12R0.248 C=COCCCCOCC(C)CC 7a_100000031558_100000748023 [0,3,0,0,0,0|0,0,1]=4 36096 B12R0.248 C=COCCCCOCC(O)CC 34a_100000031558_100011218378 [0,3,0,0,0,0|0,0,1]=4 36097 B12R0.248 C=COCCCCOCC(O)CC 7a_100000031558_100011218378 [0,3,0,0,0,0|0,0,1]=4 36098 B12R0.248 C=COCCCCOC[C@@H](C)CC 34a_100000031558_100009816398 [0,3,0,0,0,0|0,0,1]=4 36099 B12R0.248 C=COCCCCOC[C@@H](C)CC 7a_100000031558_100009816398 [0,3,0,0,0,0|0,0,1]=4 36100 B12R0.248 C=C[C@H](N)COCCOCCCC 34a_100016989147_100000743108 [0,3,0,0,0,0|0,0,1]=4 36101 B12R0.248 CC(C#N)NCCCOCCCO 2230a_100011310245_100000184139 [0,3,0,0,0,0|1,0,0]=4 36102 B12R0.248 CC(CN)COCCCCCCF 34a_100000744482_100015922095 [0,3,0,0,0,0|1,0,0]=4 36103 B12R0.248 CC(CN)COCCCCCCO 34a_100000744482_100000766143 [0,3,0,0,0,0|1,0,0]=4 36104 B12R0.248 CC(CO)CCNCCCCCF 2230a_106354213184_100000729378 [0,3,0,0,0,0|1,0,0]=4 36105 B12R0.248 CC(CO)CCNCCCCCF 34a_106354213184_100000729378 [0,3,0,0,0,0|1,0,0]=4 36106 B12R0.248 CC(CO)CCNCCCCCO 2230a_106354213184_100000746330 [0,3,0,0,0,0|1,0,0]=4 36107 B12R0.248 CC(CO)CCNCCCCCO 34a_106354213184_100000746330 [0,3,0,0,0,0|1,0,0]=4 36108 B12R0.248 CC(CO)NCCCOCCCO 2230a_100011310245_100012180447 [0,3,0,0,0,0|1,0,0]=4 36109 B12R0.248 CC(CO)NCCCOCCCO 34a_100011310245_100012180447 [0,3,0,0,0,0|1,0,0]=4 36110 B12R0.248 CC(CO)OCCCOCCCN 34a_100011310245_100012180447 [0,3,0,0,0,0|1,0,0]=4 36111 B12R0.248 CC/C=C/CCCOCC(=O)CC 7a_100016287902_100000747405 [0,3,0,0,0,0|0,0,1]=4 36112 B12R0.248 CC/C=C/CCCOCC(C)CC 34a_100016287902_100000748023 [0,3,0,0,0,0|0,0,0]=3 36113 B12R0.248 CC/C=C/CCCOCC(C)CC 7a_100016287902_100000748023 [0,3,0,0,0,0|0,0,0]=3 36114 B12R0.248 CC/C=C/CCCOCC(O)CC 34a_100016287902_100011218378 [0,3,0,0,0,0|0,0,0]=3 36115 B12R0.248 CC/C=C/CCCOCC(O)CC 7a_100016287902_100011218378 [0,3,0,0,0,0|0,0,0]=3 36116 B12R0.248 CC/C=C/CCCOCC(O)CO 34a_100016287902_100011219619 [0,3,0,0,0,0|1,0,0]=4 36117 B12R0.248 CC/C=C/CCCOCC(O)CO 7a_100016287902_100011219619 [0,3,0,0,0,0|1,0,0]=4 36118 B12R0.248 CC/C=C/CCCOC[C@@H](C)CC 34a_100016287902_100009816398 [0,3,0,0,0,0|0,0,0]=3 36119 B12R0.248 CC/C=C/CCCOC[C@@H](C)CC 7a_100016287902_100009816398 [0,3,0,0,0,0|0,0,0]=3 36120 B12R0.248 CC/C=C/CCCOC[C@@H](C)CO 34a_100016287902_100000059175 [0,3,0,0,0,0|1,0,0]=4 36121 B12R0.248 CC/C=C/CCCOC[C@@H](C)CO 7a_100016287902_100000059175 [0,3,0,0,0,0|1,0,0]=4 36122 B12R0.248 CC/C=C/CCCOC[C@@H](O)CF 34a_100016287902_100015614560 [0,3,0,0,0,0|1,0,0]=4 36123 B12R0.248 CC/C=C/CCCOC[C@@H](O)CF 7a_100016287902_100015614560 [0,3,0,0,0,0|1,0,0]=4 36124 B12R0.248 CC/C=C/CCCOC[C@@H](O)CO 34a_100016287902_100009815848 [0,3,0,0,0,0|1,0,0]=4 36125 B12R0.248 CC/C=C/CCCOC[C@@H](O)CO 7a_100016287902_100009815848 [0,3,0,0,0,0|1,0,0]=4 36126 B12R0.248 CC/C=C\CCNCCC(C)CC 2230a_100020591266_100015370543 [0,3,0,0,0,0|1,0,0]=4 36127 B12R0.248 CC/C=C\CCOCCC(C)CC 7a_100011215188_100015370543 [0,3,0,0,0,0|0,0,0]=3 36128 B12R0.248 CC/C=C\CCOCCC(C)OC 7a_100000764861_100015370543 [0,3,0,0,0,0|0,0,1]=4 36129 B12R0.248 CC/C=C\COCCCC(C)CC 7a_100011216074_100103147603 [0,3,0,0,0,0|0,0,1]=4 36130 B12R0.248 CC/C=C\COCCC[C@@H](C)CN 34a_100160569302_100103147603 [0,3,0,0,0,0|0,0,1]=4 36131 B12R0.248 CCC#CCOCCCC(C)CC 7a_100011216074_100009813939 [0,3,0,0,0,0|0,0,1]=4 36132 B12R0.248 CCC#CCOCCC[C@@H](C)CN 34a_100160569302_100009813939 [0,3,0,0,0,0|0,0,1]=4 36133 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,3,0,0,0,0|1,0,0]=4 36134 B12R0.248 CCC(=O)CCOCCOCCO 1458a_100000210414_100000032323 [0,3,0,0,0,0|0,0,1]=4 36135 B12R0.248 CCC(=O)CCOCCOCCO 1458a_100009915118_100000210202 [0,3,0,0,0,0|0,0,1]=4 36136 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [0,3,0,0,0,0|0,0,1]=4 36137 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [0,3,0,0,0,0|0,0,1]=4 36138 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [0,3,0,0,0,0|0,0,1]=4 36139 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [0,3,0,0,0,0|0,0,1]=4 36140 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [0,3,0,0,0,0|0,0,1]=4 36141 B12R0.248 CCC(=O)COCCOCCOC 1458a_100011214951_100000210202 [0,3,0,0,0,0|0,0,1]=4 36142 B12R0.248 CCC(=O)COCCOCCOC 34a_100000725409_100000695917 [0,3,0,0,0,0|0,0,1]=4 36143 B12R0.248 CCC(=O)COCCOCCOC 7a_100011215163_100000747405 [0,3,0,0,0,0|0,0,1]=4 36144 B12R0.248 CCC(=O)CSCCOCCOC 62a_100000695917_100000747405 [0,3,0,0,0,0|1,0,0]=4 36145 B12R0.248 CCC(=O)CSCCOCCOC 62a_100000747405_100000695917 [0,3,0,0,0,0|1,0,0]=4 36146 B12R0.248 CCC(=O)NCCCOCCCO 240690a_100011310245_100000210414 [0,3,0,0,0,0|1,0,0]=4 36147 B12R0.248 CCC(=O)NCCCOCCOC 1626a_100000206027_100000210414 [0,3,0,0,0,0|1,0,0]=4 36148 B12R0.248 CCC(=O)NCCCOCCOC 240690a_100000206027_100000210414 [0,3,0,0,0,0|1,0,0]=4 36149 B12R0.248 CCC(=O)NCCOCCCCF 34a_200000158885_100000729493 [0,3,0,0,0,0|0,0,1]=4 36150 B12R0.248 CCC(=O)NCCOCCCCF 7a_200000158885_100000729493 [0,3,0,0,0,0|0,0,1]=4 36151 B12R0.248 CCC(=O)NCCOCCCCO 34a_200000158885_100011216708 [0,3,0,0,0,0|0,0,1]=4 36152 B12R0.248 CCC(=O)NCCOCCCCO 7a_200000158885_100000210776 [0,3,0,0,0,0|0,0,1]=4 36153 B12R0.248 CCC(=O)NCCOCCCOC 34a_200000158885_100000740836 [0,3,0,0,0,0|0,0,1]=4 36154 B12R0.248 CCC(=O)NCCOCCCOC 7a_200000158885_100000740836 [0,3,0,0,0,0|0,0,1]=4 36155 B12R0.248 CCC(=O)OCCOCCCCF 7a_200000031056_100000729493 [0,3,0,0,0,0|0,0,1]=4 36156 B12R0.248 CCC(=O)OCCOCCCCO 7a_200000031056_100000210776 [0,3,0,0,0,0|0,0,1]=4 36157 B12R0.248 CCC(=O)OCCOCCCOC 7a_200000031056_100000740836 [0,3,0,0,0,0|0,0,1]=4 36158 B12R0.248 CCC(C)CCCCCOCCF 7a_200000035636_100011217306 [0,3,0,0,0,0|1,0,0]=4 36159 B12R0.248 CCC(C)CCCCCOCCO 7a_200000035636_100000211926 [0,3,0,0,0,0|1,0,0]=4 36160 B12R0.248 CCC(C)CCCOCCCC#N 7a_100011216074_100000687738 [0,3,0,0,0,0|0,0,1]=4 36161 B12R0.248 CCC(C)CCCOCCCC=O 7a_100011216074_200011292268 [0,3,0,0,0,0|0,0,1]=4 36162 B12R0.248 CCC(C)CCCOCCCCF 7a_100011216074_100000729493 [0,3,0,0,0,0|0,0,0]=3 36163 B12R0.248 CCC(C)CCCOCCCCO 7a_100011216074_100000210776 [0,3,0,0,0,0|0,0,0]=3 36164 B12R0.248 CCC(C)CCCOCCCOC 7a_100011216074_100000740836 [0,3,0,0,0,0|0,0,0]=3 36165 B12R0.248 CCC(C)CCNCCCCC#N 2230a_100020591266_100000211819 [0,3,0,0,0,0|1,0,0]=4 36166 B12R0.248 CCC(C)CCNCCCCC=O 2230a_100020591266_100000139335 [0,3,0,0,0,0|1,0,0]=4 36167 B12R0.248 CCC(C)CCNCCCCCF 2230a_100020591266_100000729378 [0,3,0,0,0,0|1,0,0]=4 36168 B12R0.248 CCC(C)CCNCCCCCO 2230a_100020591266_100000746330 [0,3,0,0,0,0|1,0,0]=4 36169 B12R0.248 CCC(C)CCNCCCCOC 2230a_100020591266_100000730899 [0,3,0,0,0,0|1,0,0]=4 36170 B12R0.248 CCC(C)CCNCCOCCO 2230a_100020591266_100011215305 [0,3,0,0,0,0|1,0,0]=4 36171 B12R0.248 CCC(C)CCNCOCCOC 2230a_100020591266_100000231047 [0,3,0,0,0,0|1,0,0]=4 36172 B12R0.248 CCC(C)CCOCCCCC#N 7a_100011215188_100000211819 [0,3,0,0,0,0|0,0,0]=3 36173 B12R0.248 CCC(C)CCOCCCCC=O 7a_100011215188_100000139335 [0,3,0,0,0,0|0,0,0]=3 36174 B12R0.248 CCC(C)CCOCCCCCF 7a_100011215188_100000729378 [0,3,0,0,0,0|0,0,0]=3 36175 B12R0.248 CCC(C)CCOCCCCCO 7a_100011215188_100000746330 [0,3,0,0,0,0|0,0,0]=3 36176 B12R0.248 CCC(C)CCOCCCCOC 7a_100011215188_100000730899 [0,3,0,0,0,0|0,0,0]=3 36177 B12R0.248 CCC(C)CCOCCOCC#N 7a_100011215188_200000047693 [0,3,0,0,0,0|0,0,1]=4 36178 B12R0.248 CCC(C)CCOCCOCCO 7a_100011215188_100011215305 [0,3,0,0,0,0|0,0,0]=3 36179 B12R0.248 CCC(C)CNCCCCCC#N 2230a_100020588543_100009813376 [0,3,0,0,0,0|1,0,0]=4 36180 B12R0.248 CCC(C)CNCCCCCC#N 270004a_100000061152_100000243153 [0,3,0,0,0,0|1,0,0]=4 36181 B12R0.248 CCC(C)CNCCCCCC=O 2230a_100020588543_100000139337 [0,3,0,0,0,0|1,0,0]=4 36182 B12R0.248 CCC(C)CNCCCCCCF 2230a_100020588543_100015922095 [0,3,0,0,0,0|1,0,0]=4 36183 B12R0.248 CCC(C)CNCCCCCCO 2230a_100000686447_100000748023 [0,3,0,0,0,0|1,0,0]=4 36184 B12R0.248 CCC(C)CNCCCCCCO 2230a_100020588543_100000766143 [0,3,0,0,0,0|1,0,0]=4 36185 B12R0.248 CCC(C)CNCCCCCCO 270004a_100000686447_100000243153 [0,3,0,0,0,0|1,0,0]=4 36186 B12R0.248 CCC(C)CNCCCCCCO 34a_100000686447_100000748023 [0,3,0,0,0,0|1,0,0]=4 36187 B12R0.248 CCC(C)CNCCCCCOC 2230a_100000747528_100000748023 [0,3,0,0,0,0|1,0,0]=4 36188 B12R0.248 CCC(C)CNCCCCCOC 270004a_100000747528_100000243153 [0,3,0,0,0,0|1,0,0]=4 36189 B12R0.248 CCC(C)CNCCCCCOC 34a_100000747528_100000748023 [0,3,0,0,0,0|1,0,0]=4 36190 B12R0.248 CCC(C)CNCCOCCOC 2230a_100000745349_100000748023 [0,3,0,0,0,0|1,0,0]=4 36191 B12R0.248 CCC(C)CNCCOCCOC 2230a_100020588543_100000695917 [0,3,0,0,0,0|1,0,0]=4 36192 B12R0.248 CCC(C)CNCCOCCOC 270004a_100000745349_100000243153 [0,3,0,0,0,0|1,0,0]=4 36193 B12R0.248 CCC(C)CNCCOCCOC 34a_100000745349_100000748023 [0,3,0,0,0,0|1,0,0]=4 36194 B12R0.248 CCC(C)COCCCCCCBr 34a_100011215345_100000748023 [0,3,0,0,0,0|0,0,0]=3 36195 B12R0.248 CCC(C)COCCCCCCBr 7a_100011215345_100000748023 [0,3,0,0,0,0|0,0,0]=3 36196 B12R0.248 CCC(C)COCCCCCCCl 34a_100000766143_100000748023 [0,3,0,0,0,0|0,0,0]=3 36197 B12R0.248 CCC(C)COCCCCCCCl 7a_100000766143_100000748023 [0,3,0,0,0,0|0,0,0]=3 36198 B12R0.248 CCC(C)COCCCCCCF 34a_100000732779_100000748023 [0,3,0,0,0,0|0,0,0]=3 36199 B12R0.248 CCC(C)COCCCCCCF 7a_100000732779_100000748023 [0,3,0,0,0,0|0,0,0]=3 36200 B12R0.248 CCC(C)COCCCCCCN 34a_100000686447_100000748023 [0,3,0,0,0,0|0,0,0]=3 36201 B12R0.248 CCC(C)COCCCCCNC 34a_100000722520_100000748023 [0,3,0,0,0,0|0,0,0]=3 36202 B12R0.248 CCC(C)COCCOCCNC 34a_100000228057_100000748023 [0,3,0,0,0,0|0,0,0]=3 36203 B12R0.248 CCC(C)COCCOCCOC 34a_100011215163_100000748023 [0,3,0,0,0,0|0,0,0]=3 36204 B12R0.248 CCC(C)COCCOCCOC 7a_100011215163_100000748023 [0,3,0,0,0,0|0,0,0]=3 36205 B12R0.248 CCC(C)CSCCCCCC#N 62a_100000748023_100009813376 [0,3,0,0,0,0|0,1,0]=4 36206 B12R0.248 CCC(C)CSCCCCCC#N 62a_100009813376_100000748023 [0,3,0,0,0,0|0,1,0]=4 36207 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000139337_100000748023 [0,3,0,0,0,0|0,1,0]=4 36208 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000748023_100000139337 [0,3,0,0,0,0|0,1,0]=4 36209 B12R0.248 CCC(C)CSCCCCCCF 62a_100000748023_100015922095 [0,3,0,0,0,0|0,1,0]=4 36210 B12R0.248 CCC(C)CSCCCCCCF 62a_100015922095_100000748023 [0,3,0,0,0,0|0,1,0]=4 36211 B12R0.248 CCC(C)CSCCCCCCO 62a_100000748023_100000766143 [0,3,0,0,0,0|0,1,0]=4 36212 B12R0.248 CCC(C)CSCCCCCCO 62a_100000766143_100000748023 [0,3,0,0,0,0|0,1,0]=4 36213 B12R0.248 CCC(C)CSCCOCCOC 62a_100000695917_100000748023 [0,3,0,0,0,0|0,1,0]=4 36214 B12R0.248 CCC(C)CSCCOCCOC 62a_100000748023_100000695917 [0,3,0,0,0,0|0,1,0]=4 36215 B12R0.248 CCC(C)NCCCCCCCO 2230a_100000209981_100000760002 [0,3,0,0,0,0|1,0,0]=4 36216 B12R0.248 CCC(C)NCCCCCCCO 2230a_100011996573_100000758301 [0,3,0,0,0,0|1,0,0]=4 36217 B12R0.248 CCC(C)NCCCCCCCO 34a_100011996573_100011215416 [0,3,0,0,0,0|1,0,0]=4 36218 B12R0.248 CCC(C)NCCCCCCOC 2230a_100000209981_100011998445 [0,3,0,0,0,0|1,0,0]=4 36219 B12R0.248 CCC(C)NCCCOCCCO 2230a_100011310245_100000758301 [0,3,0,0,0,0|1,0,0]=4 36220 B12R0.248 CCC(C)NCCCOCCCO 34a_100011310245_100011215416 [0,3,0,0,0,0|1,0,0]=4 36221 B12R0.248 CCC(C)NCCCOCCOC 2230a_100000206027_100000758301 [0,3,0,0,0,0|1,0,0]=4 36222 B12R0.248 CCC(C)NCCCOCCOC 2230a_100000209981_100011216529 [0,3,0,0,0,0|1,0,0]=4 36223 B12R0.248 CCC(C)NCCCOCCOC 34a_100000206027_100011215416 [0,3,0,0,0,0|1,0,0]=4 36224 B12R0.248 CCC(C)OCCCCCCCBr 34a_100000760002_100011215416 [0,3,0,0,0,0|1,0,0]=4 36225 B12R0.248 CCC(C)OCCCCCCCBr 7a_100000760002_100000758301 [0,3,0,0,0,0|1,0,0]=4 36226 B12R0.248 CCC(C)OCCCCCCCN 34a_100011996573_100011215416 [0,3,0,0,0,0|1,0,0]=4 36227 B12R0.248 CCC(C)OCCCCCCCO 7a_100000210228_100000760002 [0,3,0,0,0,0|1,0,0]=4 36228 B12R0.248 CCC(C)OCCCCCCOC 34a_200012092642_100011215416 [0,3,0,0,0,0|1,0,0]=4 36229 B12R0.248 CCC(C)OCCCCCCOC 7a_100000210228_100011998445 [0,3,0,0,0,0|1,0,0]=4 36230 B12R0.248 CCC(C)OCCCCCCOC 7a_200012092642_100000758301 [0,3,0,0,0,0|1,0,0]=4 36231 B12R0.248 CCC(C)OCCCOCCCN 34a_100011310245_100011215416 [0,3,0,0,0,0|1,0,0]=4 36232 B12R0.248 CCC(C)OCCCOCCOC 7a_100000210228_100011216529 [0,3,0,0,0,0|1,0,0]=4 36233 B12R0.248 CCC(C)SCCCCCCCO 62a_100000758301_100000760002 [0,3,0,0,0,0|1,0,0]=4 36234 B12R0.248 CCC(C)SCCCCCCCO 62a_100000760002_100000758301 [0,3,0,0,0,0|1,0,0]=4 36235 B12R0.248 CCC(C)SCCCCCCOC 62a_100000758301_100011998445 [0,3,0,0,0,0|1,0,0]=4 36236 B12R0.248 CCC(C)SCCCCCCOC 62a_100011998445_100000758301 [0,3,0,0,0,0|1,0,0]=4 36237 B12R0.248 CCC(C)SCCCOCCOC 62a_100000758301_100011216529 [0,3,0,0,0,0|1,0,0]=4 36238 B12R0.248 CCC(C)SCCCOCCOC 62a_100011216529_100000758301 [0,3,0,0,0,0|1,0,0]=4 36239 B12R0.248 CCC(O)CNCCCCCC#N 2230a_100011218483_100009813376 [0,3,0,0,0,0|1,0,0]=4 36240 B12R0.248 CCC(O)CNCCCCCC=O 2230a_100011218483_100000139337 [0,3,0,0,0,0|1,0,0]=4 36241 B12R0.248 CCC(O)CNCCCCCCF 2230a_100011218483_100015922095 [0,3,0,0,0,0|1,0,0]=4 36242 B12R0.248 CCC(O)CNCCCCCCO 2230a_100000686447_100011218378 [0,3,0,0,0,0|1,0,0]=4 36243 B12R0.248 CCC(O)CNCCCCCCO 2230a_100011218483_100000766143 [0,3,0,0,0,0|1,0,0]=4 36244 B12R0.248 CCC(O)CNCCCCCCO 34a_100000686447_100011218378 [0,3,0,0,0,0|1,0,0]=4 36245 B12R0.248 CCC(O)CNCCCCCOC 2230a_100000747528_100011218378 [0,3,0,0,0,0|1,0,0]=4 36246 B12R0.248 CCC(O)CNCCCCCOC 34a_100000747528_100011218378 [0,3,0,0,0,0|1,0,0]=4 36247 B12R0.248 CCC(O)CNCCOCCOC 2230a_100000745349_100011218378 [0,3,0,0,0,0|1,0,0]=4 36248 B12R0.248 CCC(O)CNCCOCCOC 2230a_100011218483_100000695917 [0,3,0,0,0,0|1,0,0]=4 36249 B12R0.248 CCC(O)CNCCOCCOC 34a_100000745349_100011218378 [0,3,0,0,0,0|1,0,0]=4 36250 B12R0.248 CCC(O)COCCCCCCBr 34a_100011215345_100011218378 [0,3,0,0,0,0|0,0,0]=3 36251 B12R0.248 CCC(O)COCCCCCCBr 7a_100011215345_100011218378 [0,3,0,0,0,0|0,0,0]=3 36252 B12R0.248 CCC(O)COCCCCCCCl 34a_100000766143_100011218378 [0,3,0,0,0,0|0,0,0]=3 36253 B12R0.248 CCC(O)COCCCCCCCl 7a_100000766143_100011218378 [0,3,0,0,0,0|0,0,0]=3 36254 B12R0.248 CCC(O)COCCCCCCF 34a_100000732779_100011218378 [0,3,0,0,0,0|0,0,0]=3 36255 B12R0.248 CCC(O)COCCCCCCF 7a_100000732779_100011218378 [0,3,0,0,0,0|0,0,0]=3 36256 B12R0.248 CCC(O)COCCCCCCN 34a_100000686447_100011218378 [0,3,0,0,0,0|0,0,0]=3 36257 B12R0.248 CCC(O)COCCCCCNC 34a_100000722520_100011218378 [0,3,0,0,0,0|0,0,0]=3 36258 B12R0.248 CCC(O)COCCOCCNC 34a_100000228057_100011218378 [0,3,0,0,0,0|0,0,0]=3 36259 B12R0.248 CCC(O)COCCOCCOC 34a_100011215163_100011218378 [0,3,0,0,0,0|0,0,0]=3 36260 B12R0.248 CCC(O)COCCOCCOC 7a_100011215163_100011218378 [0,3,0,0,0,0|0,0,0]=3 36261 B12R0.248 CCC(O)CSCCCCCC#N 62a_100009813376_100011218378 [0,3,0,0,0,0|0,1,0]=4 36262 B12R0.248 CCC(O)CSCCCCCC#N 62a_100011218378_100009813376 [0,3,0,0,0,0|0,1,0]=4 36263 B12R0.248 CCC(O)CSCCCCCC=O 62a_100000139337_100011218378 [0,3,0,0,0,0|0,1,0]=4 36264 B12R0.248 CCC(O)CSCCCCCC=O 62a_100011218378_100000139337 [0,3,0,0,0,0|0,1,0]=4 36265 B12R0.248 CCC(O)CSCCCCCCF 62a_100011218378_100015922095 [0,3,0,0,0,0|0,1,0]=4 36266 B12R0.248 CCC(O)CSCCCCCCF 62a_100015922095_100011218378 [0,3,0,0,0,0|0,1,0]=4 36267 B12R0.248 CCC(O)CSCCCCCCO 62a_100000766143_100011218378 [0,3,0,0,0,0|0,1,0]=4 36268 B12R0.248 CCC(O)CSCCCCCCO 62a_100011218378_100000766143 [0,3,0,0,0,0|0,1,0]=4 36269 B12R0.248 CCC(O)CSCCOCCOC 62a_100000695917_100011218378 [0,3,0,0,0,0|0,1,0]=4 36270 B12R0.248 CCC(O)CSCCOCCOC 62a_100011218378_100000695917 [0,3,0,0,0,0|0,1,0]=4 36271 B12R0.248 CCCC#CCCOCC(=O)CC 7a_100000042726_100000747405 [0,3,0,0,0,0|0,0,1]=4 36272 B12R0.248 CCCC#CCCOCC(C)CC 34a_100000042726_100000748023 [0,3,0,0,0,0|0,0,0]=3 36273 B12R0.248 CCCC#CCCOCC(C)CC 7a_100000042726_100000748023 [0,3,0,0,0,0|0,0,0]=3 36274 B12R0.248 CCCC#CCCOCC(O)CC 34a_100000042726_100011218378 [0,3,0,0,0,0|0,0,0]=3 36275 B12R0.248 CCCC#CCCOCC(O)CC 7a_100000042726_100011218378 [0,3,0,0,0,0|0,0,0]=3 36276 B12R0.248 CCCC#CCCOCC(O)CO 34a_100000042726_100011219619 [0,3,0,0,0,0|1,0,0]=4 36277 B12R0.248 CCCC#CCCOCC(O)CO 7a_100000042726_100011219619 [0,3,0,0,0,0|1,0,0]=4 36278 B12R0.248 CCCC#CCCOC[C@@H](C)CC 34a_100000042726_100009816398 [0,3,0,0,0,0|0,0,0]=3 36279 B12R0.248 CCCC#CCCOC[C@@H](C)CC 7a_100000042726_100009816398 [0,3,0,0,0,0|0,0,0]=3 36280 B12R0.248 CCCC#CCCOC[C@@H](C)CO 34a_100000042726_100000059175 [0,3,0,0,0,0|1,0,0]=4 36281 B12R0.248 CCCC#CCCOC[C@@H](C)CO 7a_100000042726_100000059175 [0,3,0,0,0,0|1,0,0]=4 36282 B12R0.248 CCCC#CCCOC[C@@H](O)CF 34a_100000042726_100015614560 [0,3,0,0,0,0|1,0,0]=4 36283 B12R0.248 CCCC#CCCOC[C@@H](O)CF 7a_100000042726_100015614560 [0,3,0,0,0,0|1,0,0]=4 36284 B12R0.248 CCCC#CCCOC[C@@H](O)CO 34a_100000042726_100009815848 [0,3,0,0,0,0|1,0,0]=4 36285 B12R0.248 CCCC#CCCOC[C@@H](O)CO 7a_100000042726_100009815848 [0,3,0,0,0,0|1,0,0]=4 36286 B12R0.248 CCCC/C=C/COCC(=O)CC 7a_200016272032_100000747405 [0,3,0,0,0,0|0,0,1]=4 36287 B12R0.248 CCCC/C=C/COCC(C)CC 34a_200016272032_100000748023 [0,3,0,0,0,0|0,0,0]=3 36288 B12R0.248 CCCC/C=C/COCC(C)CC 7a_200016272032_100000748023 [0,3,0,0,0,0|0,0,0]=3 36289 B12R0.248 CCCC/C=C/COCC(O)CC 34a_200016272032_100011218378 [0,3,0,0,0,0|0,0,0]=3 36290 B12R0.248 CCCC/C=C/COCC(O)CC 7a_200016272032_100011218378 [0,3,0,0,0,0|0,0,0]=3 36291 B12R0.248 CCCC/C=C/COCC(O)CO 34a_200016272032_100011219619 [0,3,0,0,0,0|1,0,0]=4 36292 B12R0.248 CCCC/C=C/COCC(O)CO 7a_200016272032_100011219619 [0,3,0,0,0,0|1,0,0]=4 36293 B12R0.248 CCCC/C=C/COC[C@@H](C)CC 34a_200016272032_100009816398 [0,3,0,0,0,0|0,0,0]=3 36294 B12R0.248 CCCC/C=C/COC[C@@H](C)CC 7a_200016272032_100009816398 [0,3,0,0,0,0|0,0,0]=3 36295 B12R0.248 CCCC/C=C/COC[C@@H](C)CO 34a_200016272032_100000059175 [0,3,0,0,0,0|1,0,0]=4 36296 B12R0.248 CCCC/C=C/COC[C@@H](C)CO 7a_200016272032_100000059175 [0,3,0,0,0,0|1,0,0]=4 36297 B12R0.248 CCCC/C=C/COC[C@@H](O)CF 34a_200016272032_100015614560 [0,3,0,0,0,0|1,0,0]=4 36298 B12R0.248 CCCC/C=C/COC[C@@H](O)CF 7a_200016272032_100015614560 [0,3,0,0,0,0|1,0,0]=4 36299 B12R0.248 CCCC/C=C/COC[C@@H](O)CO 34a_200016272032_100009815848 [0,3,0,0,0,0|1,0,0]=4 36300 B12R0.248 CCCC/C=C/COC[C@@H](O)CO 7a_200016272032_100009815848 [0,3,0,0,0,0|1,0,0]=4 36301 B12R0.248 CCCC/C=C\CCOC(C)CC 34a_200016286491_100011215416 [0,3,0,0,0,0|1,0,0]=4 36302 B12R0.248 CCCC/C=C\CCOC(C)CC 7a_200016286491_100000758301 [0,3,0,0,0,0|1,0,0]=4 36303 B12R0.248 CCCCC#CCCCC(=O)CC 1458a_100000210414_200000047210 [0,3,0,0,0,0|1,0,0]=4 36304 B12R0.248 CCCCC#CCCCN(C)CC 2230a_100000225621_200000047210 [0,3,0,0,0,0|1,0,0]=4 36305 B12R0.248 CCCCC#CCCCN(C)CC 269982a_100000225621_200000047210 [0,3,0,0,0,0|1,0,0]=4 36306 B12R0.248 CCCCC#CCCOC(C)CC 34a_100000037610_100011215416 [0,3,0,0,0,0|1,0,0]=4 36307 B12R0.248 CCCCC#CCCOC(C)CC 7a_100000037610_100000758301 [0,3,0,0,0,0|1,0,0]=4 36308 B12R0.248 CCCCC#CCOCC(=O)CC 7a_200000034558_100000747405 [0,3,0,0,0,0|0,0,1]=4 36309 B12R0.248 CCCCC#CCOCC(C)CC 34a_200000034558_100000748023 [0,3,0,0,0,0|0,0,0]=3 36310 B12R0.248 CCCCC#CCOCC(C)CC 7a_200000034558_100000748023 [0,3,0,0,0,0|0,0,0]=3 36311 B12R0.248 CCCCC#CCOCC(O)CC 34a_200000034558_100011218378 [0,3,0,0,0,0|0,0,0]=3 36312 B12R0.248 CCCCC#CCOCC(O)CC 7a_200000034558_100011218378 [0,3,0,0,0,0|0,0,0]=3 36313 B12R0.248 CCCCC#CCOCC(O)CO 34a_200000034558_100011219619 [0,3,0,0,0,0|1,0,0]=4 36314 B12R0.248 CCCCC#CCOCC(O)CO 7a_200000034558_100011219619 [0,3,0,0,0,0|1,0,0]=4 36315 B12R0.248 CCCCC#CCOC[C@@H](C)CC 34a_200000034558_100009816398 [0,3,0,0,0,0|0,0,0]=3 36316 B12R0.248 CCCCC#CCOC[C@@H](C)CC 7a_200000034558_100009816398 [0,3,0,0,0,0|0,0,0]=3 36317 B12R0.248 CCCCC#CCOC[C@@H](C)CO 34a_200000034558_100000059175 [0,3,0,0,0,0|1,0,0]=4 36318 B12R0.248 CCCCC#CCOC[C@@H](C)CO 7a_200000034558_100000059175 [0,3,0,0,0,0|1,0,0]=4 36319 B12R0.248 CCCCC#CCOC[C@@H](O)CF 34a_200000034558_100015614560 [0,3,0,0,0,0|1,0,0]=4 36320 B12R0.248 CCCCC#CCOC[C@@H](O)CF 7a_200000034558_100015614560 [0,3,0,0,0,0|1,0,0]=4 36321 B12R0.248 CCCCC#CCOC[C@@H](O)CO 34a_200000034558_100009815848 [0,3,0,0,0,0|1,0,0]=4 36322 B12R0.248 CCCCC#CCOC[C@@H](O)CO 7a_200000034558_100009815848 [0,3,0,0,0,0|1,0,0]=4 36323 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [0,3,0,0,0,0|1,0,0]=4 36324 B12R0.248 CCCCC/C=C/COC(C)CC 34a_100016258190_100011215416 [0,3,0,0,0,0|1,0,0]=4 36325 B12R0.248 CCCCC/C=C/COC(C)CC 7a_100016258190_100000758301 [0,3,0,0,0,0|1,0,0]=4 36326 B12R0.248 CCCCCC#CCNC(C)CC 2230a_100000209981_100009816472 [0,3,0,0,0,0|1,0,0]=4 36327 B12R0.248 CCCCCC#CCOC(C)CC 34a_200000033628_100011215416 [0,3,0,0,0,0|1,0,0]=4 36328 B12R0.248 CCCCCC#CCOC(C)CC 7a_100000210228_100009816472 [0,3,0,0,0,0|1,0,0]=4 36329 B12R0.248 CCCCCC#CCOC(C)CC 7a_200000033628_100000758301 [0,3,0,0,0,0|1,0,0]=4 36330 B12R0.248 CCCCCC#CCSC(C)CC 62a_100000758301_100009816472 [0,3,0,0,0,0|1,0,0]=4 36331 B12R0.248 CCCCCC#CCSC(C)CC 62a_100009816472_100000758301 [0,3,0,0,0,0|1,0,0]=4 36332 B12R0.248 CCCCCC=NNCC(O)CC 4a_100015206393_100000737632 [0,3,0,0,0,0|1,0,0]=4 36333 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,3,0,0,0,0|1,0,0]=4 36334 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,3,0,0,0,0|1,0,0]=4 36335 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,3,0,0,0,0|1,0,0]=4 36336 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,3,0,0,0,0|1,0,0]=4 36337 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,3,0,0,0,0|1,0,0]=4 36338 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,3,0,0,0,0|1,0,0]=4 36339 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,3,0,0,0,0|1,0,0]=4 36340 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,3,0,0,0,0|1,0,0]=4 36341 B12R0.248 CCCCCCCCCC(C)NC 270004a_106832991635_100011215753 [0,3,0,0,0,0|1,0,0]=4 36342 B12R0.248 CCCCCCCCCC(C)OC 34a_100011218016_200000210301 [0,3,0,0,0,0|1,0,0]=4 36343 B12R0.248 CCCCCCCCCC(C)OC 7a_100011218016_200000210301 [0,3,0,0,0,0|1,0,0]=4 36344 B12R0.248 CCCCCCCCCC(C)O[13CH3] 34a_100011218016_200025704644 [0,3,0,0,0,0|1,0,0]=4 36345 B12R0.248 CCCCCCCCCC(C)O[13CH3] 7a_100011218016_200025704644 [0,3,0,0,0,0|1,0,0]=4 36346 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000225621_100011214924 [0,3,0,0,0,0|1,0,0]=4 36347 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000232482_100000210202 [0,3,0,0,0,0|1,0,0]=4 36348 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000225621_100000210670 [0,3,0,0,0,0|1,0,0]=4 36349 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000232482_100000204670 [0,3,0,0,0,0|1,0,0]=4 36350 B12R0.248 CCCCCCCCCN(C)CF 269982a_100000232482_100015361967 [0,3,0,0,0,0|1,0,0]=4 36351 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [0,3,0,0,0,0|1,0,0]=4 36352 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [0,3,0,0,0,0|1,0,0]=4 36353 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [0,3,0,0,0,0|1,0,0]=4 36354 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [0,3,0,0,0,0|1,0,0]=4 36355 B12R0.248 CCCCCCCCNC(C)C#N 2230a_100000229939_100000184139 [0,3,0,0,0,0|1,0,0]=4 36356 B12R0.248 CCCCCCCCNC(C)C#N 2230a_100000737613_100000210759 [0,3,0,0,0,0|1,0,0]=4 36357 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000209981_100000210759 [0,3,0,0,0,0|1,0,0]=4 36358 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000229939_100000758301 [0,3,0,0,0,0|1,0,0]=4 36359 B12R0.248 CCCCCCCCNC(C)CC 34a_100000229939_100011215416 [0,3,0,0,0,0|1,0,0]=4 36360 B12R0.248 CCCCCCCCNC(C)CO 2230a_100000229939_100012180447 [0,3,0,0,0,0|1,0,0]=4 36361 B12R0.248 CCCCCCCCNC(C)CO 34a_100000229939_100012180447 [0,3,0,0,0,0|1,0,0]=4 36362 B12R0.248 CCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210759 [0,3,0,0,0,0|1,0,0]=4 36363 B12R0.248 CCCCCCCCOC(C)C#N 34a_100011218135_100000210759 [0,3,0,0,0,0|1,0,0]=4 36364 B12R0.248 CCCCCCCCOC(C)C#N 7a_100000210232_100000703298 [0,3,0,0,0,0|1,0,0]=4 36365 B12R0.248 CCCCCCCCOC(C)CC 34a_100000210232_100011215416 [0,3,0,0,0,0|1,0,0]=4 36366 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210228_100000210759 [0,3,0,0,0,0|1,0,0]=4 36367 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210232_100000758301 [0,3,0,0,0,0|1,0,0]=4 36368 B12R0.248 CCCCCCCCOC(C)CF 34a_100016041109_100000210759 [0,3,0,0,0,0|1,0,0]=4 36369 B12R0.248 CCCCCCCCOC(C)CF 7a_100016041109_100000210759 [0,3,0,0,0,0|1,0,0]=4 36370 B12R0.248 CCCCCCCCOC(C)CN 34a_100000210904_100000210759 [0,3,0,0,0,0|1,0,0]=4 36371 B12R0.248 CCCCCCCCOC(C)CO 34a_100000210232_100012180447 [0,3,0,0,0,0|1,0,0]=4 36372 B12R0.248 CCCCCCCCOC(C)CO 7a_100000210232_100012180447 [0,3,0,0,0,0|1,0,0]=4 36373 B12R0.248 CCCCCCCCSC(C)C#N 62a_100000210759_100000703298 [0,3,0,0,0,0|1,0,0]=4 36374 B12R0.248 CCCCCCCCSC(C)C#N 62a_100000703298_100000210317 [0,3,0,0,0,0|1,0,0]=4 36375 B12R0.248 CCCCCCCCSC(C)CC 62a_100000210759_100000758301 [0,3,0,0,0,0|1,0,0]=4 36376 B12R0.248 CCCCCCCCSC(C)CC 62a_100000758301_100000210317 [0,3,0,0,0,0|1,0,0]=4 36377 B12R0.248 CCCCCCCCSC(C)CO 62a_100012180447_100000210317 [0,3,0,0,0,0|1,0,0]=4 36378 B12R0.248 CCCCCCCCSC(C)OC 62a_100000210759_100009879195 [0,3,0,0,0,0|1,0,0]=4 36379 B12R0.248 CCCCCCCCSC(C)OC 62a_100009879195_100000210317 [0,3,0,0,0,0|1,0,0]=4 36380 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100000210759_100016084084 [0,3,0,0,0,0|1,0,0]=4 36381 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100016084084_100000210317 [0,3,0,0,0,0|1,0,0]=4 36382 B12R0.248 CCCCCCCNCC(C)CC 2230a_100000229938_100000748023 [0,3,0,0,0,0|1,0,0]=4 36383 B12R0.248 CCCCCCCNCC(C)CC 2230a_100020588543_100000210681 [0,3,0,0,0,0|1,0,0]=4 36384 B12R0.248 CCCCCCCNCC(C)CC 270004a_100000229938_100000243153 [0,3,0,0,0,0|1,0,0]=4 36385 B12R0.248 CCCCCCCNCC(C)CO 34a_100000744482_100000210614 [0,3,0,0,0,0|1,0,0]=4 36386 B12R0.248 CCCCCCCNCC(O)CC 2230a_100000229938_100011218378 [0,3,0,0,0,0|1,0,0]=4 36387 B12R0.248 CCCCCCCNCC(O)CC 2230a_100011218483_100000210681 [0,3,0,0,0,0|1,0,0]=4 36388 B12R0.248 CCCCCCCNCC(O)CO 2230a_100000229938_100011219619 [0,3,0,0,0,0|1,0,0]=4 36389 B12R0.248 CCCCCCCNC[C@@H](C)CC 2230a_100000229938_100009816398 [0,3,0,0,0,0|1,0,0]=4 36390 B12R0.248 CCCCCCCNC[C@@H](C)CO 2230a_100000229938_100000059175 [0,3,0,0,0,0|1,0,0]=4 36391 B12R0.248 CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210681 [0,3,0,0,0,0|1,0,0]=4 36392 B12R0.248 CCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210614 [0,3,0,0,0,0|1,0,0]=4 36393 B12R0.248 CCCCCCCNC[C@@H](O)CF 2230a_100000229938_100015614560 [0,3,0,0,0,0|1,0,0]=4 36394 B12R0.248 CCCCCCCNC[C@@H](O)CO 2230a_100000229938_100009815848 [0,3,0,0,0,0|1,0,0]=4 36395 B12R0.248 CCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210681 [0,3,0,0,0,0|1,0,0]=4 36396 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,3,0,0,0,0|0,0,1]=4 36397 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,3,0,0,0,0|0,0,1]=4 36398 B12R0.248 CCCCCCCOCC(C)CC 34a_100000210272_100000748023 [0,3,0,0,0,0|0,0,0]=3 36399 B12R0.248 CCCCCCCOCC(C)CC 7a_100000210272_100000748023 [0,3,0,0,0,0|0,0,0]=3 36400 B12R0.248 CCCCCCCOCC(C)CN 34a_100000744482_100000210614 [0,3,0,0,0,0|1,0,0]=4 36401 B12R0.248 CCCCCCCOCC(C)OC 34a_100000690652_100000210614 [0,3,0,0,0,0|1,0,0]=4 36402 B12R0.248 CCCCCCCOCC(Cl)CCl 34a_100000033668_100000210614 [0,3,0,0,0,0|1,0,0]=4 36403 B12R0.248 CCCCCCCOCC(O)CC 34a_100000210272_100011218378 [0,3,0,0,0,0|0,0,0]=3 36404 B12R0.248 CCCCCCCOCC(O)CC 7a_100000210272_100011218378 [0,3,0,0,0,0|0,0,0]=3 36405 B12R0.248 CCCCCCCOCC(O)CO 34a_100000210272_100011219619 [0,3,0,0,0,0|1,0,0]=4 36406 B12R0.248 CCCCCCCOCC(O)CO 7a_100000210272_100011219619 [0,3,0,0,0,0|1,0,0]=4 36407 B12R0.248 CCCCCCCOC[C@@H](C)CC 34a_100000210272_100009816398 [0,3,0,0,0,0|0,0,0]=3 36408 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100000210272_100009816398 [0,3,0,0,0,0|0,0,0]=3 36409 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210614 [0,3,0,0,0,0|0,0,0]=3 36410 B12R0.248 CCCCCCCOC[C@@H](C)CO 34a_100000210272_100000059175 [0,3,0,0,0,0|1,0,0]=4 36411 B12R0.248 CCCCCCCOC[C@@H](C)CO 7a_100000210272_100000059175 [0,3,0,0,0,0|1,0,0]=4 36412 B12R0.248 CCCCCCCOC[C@@H](O)CF 34a_100000210272_100015614560 [0,3,0,0,0,0|1,0,0]=4 36413 B12R0.248 CCCCCCCOC[C@@H](O)CF 7a_100000210272_100015614560 [0,3,0,0,0,0|1,0,0]=4 36414 B12R0.248 CCCCCCCOC[C@@H](O)CO 34a_100000210272_100009815848 [0,3,0,0,0,0|1,0,0]=4 36415 B12R0.248 CCCCCCCOC[C@@H](O)CO 7a_100000210272_100009815848 [0,3,0,0,0,0|1,0,0]=4 36416 B12R0.248 CCCCCCCOC[C@H](F)CN 34a_100015665980_100000210614 [0,3,0,0,0,0|1,0,0]=4 36417 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [0,3,0,0,0,0|1,0,0]=4 36418 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [0,3,0,0,0,0|1,0,0]=4 36419 B12R0.248 CCCCCCCSCC(C)CC 62a_100000210614_100000748023 [0,3,0,0,0,0|0,1,0]=4 36420 B12R0.248 CCCCCCCSCC(C)CC 62a_100000748023_100000210316 [0,3,0,0,0,0|0,1,0]=4 36421 B12R0.248 CCCCCCCSCC(O)CC 62a_100000210614_100011218378 [0,3,0,0,0,0|0,1,0]=4 36422 B12R0.248 CCCCCCCSCC(O)CC 62a_100011218378_100000210316 [0,3,0,0,0,0|0,1,0]=4 36423 B12R0.248 CCCCCCCSCC(O)CO 62a_100000210614_100011219619 [0,3,0,0,0,0|1,0,0]=4 36424 B12R0.248 CCCCCCCSCC(O)CO 62a_100011219619_100000210316 [0,3,0,0,0,0|1,0,0]=4 36425 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100000210614_100009816398 [0,3,0,0,0,0|0,1,0]=4 36426 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210316 [0,3,0,0,0,0|0,1,0]=4 36427 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210316 [0,3,0,0,0,0|1,0,0]=4 36428 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000210614_100000059175 [0,3,0,0,0,0|1,0,0]=4 36429 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100000210614_100015614560 [0,3,0,0,0,0|1,0,0]=4 36430 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210316 [0,3,0,0,0,0|1,0,0]=4 36431 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100000210614_100009815848 [0,3,0,0,0,0|1,0,0]=4 36432 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210316 [0,3,0,0,0,0|1,0,0]=4 36433 B12R0.248 CCCCCCNCCC(C)CC 2230a_100020591266_100000210314 [0,3,0,0,0,0|1,0,0]=4 36434 B12R0.248 CCCCCCNCCC(C)CO 2230a_106354213184_100000210314 [0,3,0,0,0,0|1,0,0]=4 36435 B12R0.248 CCCCCCNCCC(C)CO 34a_106354213184_100000210314 [0,3,0,0,0,0|1,0,0]=4 36436 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000210259_100012179268 [0,3,0,0,0,0|0,0,1]=4 36437 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000754576_100000210314 [0,3,0,0,0,0|0,0,1]=4 36438 B12R0.248 CCCCCCOCCC(=O)NC 7a_100000210259_100000737683 [0,3,0,0,0,0|0,0,1]=4 36439 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [0,3,0,0,0,0|0,0,1]=4 36440 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [0,3,0,0,0,0|0,0,1]=4 36441 B12R0.248 CCCCCCOCCC(C)CC 7a_100011215188_100000210314 [0,3,0,0,0,0|0,0,0]=3 36442 B12R0.248 CCCCCCOCCC(C)OC 7a_100000764861_100000210314 [0,3,0,0,0,0|0,0,0]=3 36443 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [0,3,0,0,0,0|1,0,0]=4 36444 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [0,3,0,0,0,0|1,0,0]=4 36445 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [0,3,0,0,0,0|1,0,0]=4 36446 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [0,3,0,0,0,0|1,0,0]=4 36447 B12R0.248 CCCCCNCCCN(C)CC 2230a_100000209983_100015186262 [0,3,0,0,0,0|1,0,0]=4 36448 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [0,3,0,0,0,0|1,0,0]=4 36449 B12R0.248 CCCCCNCCOC(C)CC 34a_100000224656_100011215416 [0,3,0,0,0,0|1,0,0]=4 36450 B12R0.248 CCCCCNCCOC(C)CO 34a_100000224656_100012180447 [0,3,0,0,0,0|1,0,0]=4 36451 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [0,3,0,0,0,0|0,0,0]=3 36452 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [0,3,0,0,0,0|0,0,0]=3 36453 B12R0.248 CCCCCOCCCC(=O)NN 34a_100000211488_100000718602 [0,3,0,0,0,0|0,0,1]=4 36454 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [0,3,0,0,0,0|0,0,0]=3 36455 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [0,3,0,0,0,0|0,0,0]=3 36456 B12R0.248 CCCCCOCCCC(C)CC 7a_100011216074_100000210326 [0,3,0,0,0,0|0,0,0]=3 36457 B12R0.248 CCCCCOCCCN(C)CC 7a_100000210253_100015186262 [0,3,0,0,0,0|0,0,0]=3 36458 B12R0.248 CCCCCOCCC[C@@H](C)CN 34a_100160569302_100000718602 [0,3,0,0,0,0|0,0,0]=3 36459 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [0,3,0,0,0,0|0,0,0]=3 36460 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [0,3,0,0,0,0|0,0,0]=3 36461 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [0,3,0,0,0,0|0,0,1]=4 36462 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [0,3,0,0,0,0|0,0,0]=3 36463 B12R0.248 CCCCCOCCOC(=O)NC 34a_100000210253_200011997002 [0,3,0,0,0,0|0,0,1]=4 36464 B12R0.248 CCCCCOCCOC(=O)NC 7a_100000210253_200011997002 [0,3,0,0,0,0|0,0,1]=4 36465 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [0,3,0,0,0,0|0,0,1]=4 36466 B12R0.248 CCCCCOCCOC(C)C#N 7a_100011215259_100000703298 [0,3,0,0,0,0|0,0,0]=3 36467 B12R0.248 CCCCCOCCOC(C)CC 34a_100011215259_100011215416 [0,3,0,0,0,0|0,0,0]=3 36468 B12R0.248 CCCCCOCCOC(C)CC 7a_100011215259_100000758301 [0,3,0,0,0,0|0,0,0]=3 36469 B12R0.248 CCCCCOCCOC(C)CO 34a_100011215259_100012180447 [0,3,0,0,0,0|0,0,0]=3 36470 B12R0.248 CCCCCOCCOC(C)CO 7a_100011215259_100012180447 [0,3,0,0,0,0|0,0,0]=3 36471 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [0,3,0,0,0,0|0,1,0]=4 36472 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [0,3,0,0,0,0|0,1,0]=4 36473 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [0,3,0,0,0,0|0,1,0]=4 36474 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [0,3,0,0,0,0|0,1,0]=4 36475 B12R0.248 CCCCCSCCCN(C)CC 62a_100000210326_100015186262 [0,3,0,0,0,0|0,1,0]=4 36476 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [0,3,0,0,0,0|1,0,0]=4 36477 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [0,3,0,0,0,0|1,0,0]=4 36478 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,3,0,0,0,0|0,0,0]=3 36479 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,3,0,0,0,0|0,0,0]=3 36480 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,3,0,0,0,0|0,0,0]=3 36481 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,3,0,0,0,0|0,0,0]=3 36482 B12R0.248 CCCCOCCCNC(=O)CC 1626a_200000211371_100000210414 [0,3,0,0,0,0|0,0,0]=3 36483 B12R0.248 CCCCOCCCNC(=O)CC 240690a_200000211371_100000210414 [0,3,0,0,0,0|0,0,0]=3 36484 B12R0.248 CCCCOCCCNC(=O)CC 527a_200000211371_100000210414 [0,3,0,0,0,0|0,0,0]=3 36485 B12R0.248 CCCCOCCCNC(=O)CO 240690a_200000211371_100000210174 [0,3,0,0,0,0|0,0,1]=4 36486 B12R0.248 CCCCOCCCNC(=O)CO 527a_200000211371_100000210174 [0,3,0,0,0,0|0,0,1]=4 36487 B12R0.248 CCCCOCCCNC(=O)NC 2708a_100102657272_200000211371 [0,3,0,0,0,0|0,0,1]=4 36488 B12R0.248 CCCCOCCCNC(=O)NC 2708a_200000211371_106832991635 [0,3,0,0,0,0|0,0,1]=4 36489 B12R0.248 CCCCOCCCNC(=O)NC 273464a_100102657272_200000211371 [0,3,0,0,0,0|0,0,1]=4 36490 B12R0.248 CCCCOCCCNC(=O)NC 273464a_200000211371_100102657272 [0,3,0,0,0,0|0,0,1]=4 36491 B12R0.248 CCCCOCCCNC(=O)NC 512a_106832991638_200000211371 [0,3,0,0,0,0|0,0,1]=4 36492 B12R0.248 CCCCOCCCNC(=O)NC 512a_200000211371_100102657272 [0,3,0,0,0,0|0,0,1]=4 36493 B12R0.248 CCCCOCCCNC(C)C#N 2230a_200000211371_100000184139 [0,3,0,0,0,0|0,0,0]=3 36494 B12R0.248 CCCCOCCCNC(C)CC 2230a_200000211371_100000758301 [0,3,0,0,0,0|0,0,0]=3 36495 B12R0.248 CCCCOCCCNC(C)CC 34a_200000211371_100011215416 [0,3,0,0,0,0|0,0,0]=3 36496 B12R0.248 CCCCOCCCNC(C)CO 2230a_200000211371_100012180447 [0,3,0,0,0,0|0,0,0]=3 36497 B12R0.248 CCCCOCCCNC(C)CO 34a_200000211371_100012180447 [0,3,0,0,0,0|0,0,0]=3 36498 B12R0.248 CCCCOCCCOC(C)C#N 7a_200011215613_100000703298 [0,3,0,0,0,0|0,0,0]=3 36499 B12R0.248 CCCCOCCCOC(C)CC 34a_200011215613_100011215416 [0,3,0,0,0,0|0,0,0]=3 36500 B12R0.248 CCCCOCCCOC(C)CC 7a_200011215613_100000758301 [0,3,0,0,0,0|0,0,0]=3 36501 B12R0.248 CCCCOCCCOC(C)CO 34a_200011215613_100012180447 [0,3,0,0,0,0|0,0,0]=3 36502 B12R0.248 CCCCOCCCOC(C)CO 7a_200011215613_100012180447 [0,3,0,0,0,0|0,0,0]=3 36503 B12R0.248 CCCCOCCNCC(=O)NC 2230a_100000693194_100000743108 [0,3,0,0,0,0|0,0,1]=4 36504 B12R0.248 CCCCOCCNCC(C)CC 2230a_100020588543_100000743108 [0,3,0,0,0,0|0,0,0]=3 36505 B12R0.248 CCCCOCCNCC(C)CO 34a_100000744482_100000743108 [0,3,0,0,0,0|0,0,0]=3 36506 B12R0.248 CCCCOCCNCC(O)CC 2230a_100011218483_100000743108 [0,3,0,0,0,0|0,0,0]=3 36507 B12R0.248 CCCCOCCNC[C@@H](C)OC 2230a_100020591295_100000743108 [0,3,0,0,0,0|0,0,0]=3 36508 B12R0.248 CCCCOCCNC[C@@H](F)CO 34a_100015665980_100000743108 [0,3,0,0,0,0|0,0,0]=3 36509 B12R0.248 CCCCOCCNC[C@H](O)CO 2230a_100020644852_100000743108 [0,3,0,0,0,0|0,0,0]=3 36510 B12R0.248 CCCCOCCOCC(=O)CC 1458a_100011216887_100000210202 [0,3,0,0,0,0|0,0,0]=3 36511 B12R0.248 CCCCOCCOCC(=O)CC 34a_100000725409_100000743108 [0,3,0,0,0,0|0,0,0]=3 36512 B12R0.248 CCCCOCCOCC(=O)CC 7a_100000210238_100000747405 [0,3,0,0,0,0|0,0,0]=3 36513 B12R0.248 CCCCOCCOCC(=O)CF 1458a_100011216887_100015361967 [0,3,0,0,0,0|0,0,1]=4 36514 B12R0.248 CCCCOCCOCC(=O)NC 11a_106832991635_100011216887 [0,3,0,0,0,0|0,0,1]=4 36515 B12R0.248 CCCCOCCOCC(=O)NC 1626a_100102657272_100011216887 [0,3,0,0,0,0|0,0,1]=4 36516 B12R0.248 CCCCOCCOCC(=O)NC 240690a_100102657272_100011216887 [0,3,0,0,0,0|0,0,1]=4 36517 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000210238_100000183359 [0,3,0,0,0,0|0,0,1]=4 36518 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000750040_100000743108 [0,3,0,0,0,0|0,0,1]=4 36519 B12R0.248 CCCCOCCOCC(=O)NC 527a_100102657272_100011216887 [0,3,0,0,0,0|0,0,1]=4 36520 B12R0.248 CCCCOCCOCC(=O)NC 7a_100000210238_100000183359 [0,3,0,0,0,0|0,0,1]=4 36521 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210227_100000090808 [0,3,0,0,0,0|0,0,1]=4 36522 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210238_100000747449 [0,3,0,0,0,0|0,0,1]=4 36523 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210227_100000090808 [0,3,0,0,0,0|0,0,1]=4 36524 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210238_100000747449 [0,3,0,0,0,0|0,0,1]=4 36525 B12R0.248 CCCCOCCOCC(C)CC 34a_100000210238_100000748023 [0,3,0,0,0,0|0,0,0]=3 36526 B12R0.248 CCCCOCCOCC(C)CC 7a_100000210238_100000748023 [0,3,0,0,0,0|0,0,0]=3 36527 B12R0.248 CCCCOCCOCC(C)CN 34a_100000744482_100000743108 [0,3,0,0,0,0|0,0,0]=3 36528 B12R0.248 CCCCOCCOCC(C)OC 34a_100000690652_100000743108 [0,3,0,0,0,0|0,0,0]=3 36529 B12R0.248 CCCCOCCOCC(Cl)CCl 34a_100000033668_100000743108 [0,3,0,0,0,0|0,0,0]=3 36530 B12R0.248 CCCCOCCOCC(O)CC 34a_100000210238_100011218378 [0,3,0,0,0,0|0,0,0]=3 36531 B12R0.248 CCCCOCCOCC(O)CC 7a_100000210238_100011218378 [0,3,0,0,0,0|0,0,0]=3 36532 B12R0.248 CCCCOCCOCC(O)CO 34a_100000210238_100011219619 [0,3,0,0,0,0|0,0,0]=3 36533 B12R0.248 CCCCOCCOCC(O)CO 7a_100000210238_100011219619 [0,3,0,0,0,0|0,0,0]=3 36534 B12R0.248 CCCCOCCOC[C@@H](C)CC 34a_100000210238_100009816398 [0,3,0,0,0,0|0,0,0]=3 36535 B12R0.248 CCCCOCCOC[C@@H](C)CC 7a_100000210238_100009816398 [0,3,0,0,0,0|0,0,0]=3 36536 B12R0.248 CCCCOCCOC[C@@H](C)CC 7a_100009816381_100000743108 [0,3,0,0,0,0|0,0,0]=3 36537 B12R0.248 CCCCOCCOC[C@@H](C)CO 34a_100000210238_100000059175 [0,3,0,0,0,0|0,0,0]=3 36538 B12R0.248 CCCCOCCOC[C@@H](C)CO 7a_100000210238_100000059175 [0,3,0,0,0,0|0,0,0]=3 36539 B12R0.248 CCCCOCCOC[C@@H](O)CF 34a_100000210238_100015614560 [0,3,0,0,0,0|0,0,0]=3 36540 B12R0.248 CCCCOCCOC[C@@H](O)CF 7a_100000210238_100015614560 [0,3,0,0,0,0|0,0,0]=3 36541 B12R0.248 CCCCOCCOC[C@@H](O)CO 34a_100000210238_100009815848 [0,3,0,0,0,0|0,0,0]=3 36542 B12R0.248 CCCCOCCOC[C@@H](O)CO 7a_100000210238_100009815848 [0,3,0,0,0,0|0,0,0]=3 36543 B12R0.248 CCCCOCCOC[C@H](F)CN 34a_100015665980_100000743108 [0,3,0,0,0,0|0,0,0]=3 36544 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000743108_100000747405 [0,3,0,0,0,0|0,0,0]=3 36545 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000747405_100000743108 [0,3,0,0,0,0|0,0,0]=3 36546 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000183359_100000743108 [0,3,0,0,0,0|0,0,1]=4 36547 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000743108_100000183359 [0,3,0,0,0,0|0,0,1]=4 36548 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000743108_100000747449 [0,3,0,0,0,0|0,0,1]=4 36549 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000747449_100000743108 [0,3,0,0,0,0|0,0,1]=4 36550 B12R0.248 CCCCOCCSCC(C)CC 62a_100000743108_100000748023 [0,3,0,0,0,0|0,0,0]=3 36551 B12R0.248 CCCCOCCSCC(C)CC 62a_100000748023_100000743108 [0,3,0,0,0,0|0,0,0]=3 36552 B12R0.248 CCCCOCCSCC(O)CC 62a_100000743108_100011218378 [0,3,0,0,0,0|0,0,0]=3 36553 B12R0.248 CCCCOCCSCC(O)CC 62a_100011218378_100000743108 [0,3,0,0,0,0|0,0,0]=3 36554 B12R0.248 CCCCOCCSCC(O)CO 62a_100000743108_100011219619 [0,3,0,0,0,0|0,0,0]=3 36555 B12R0.248 CCCCOCCSCC(O)CO 62a_100011219619_100000743108 [0,3,0,0,0,0|0,0,0]=3 36556 B12R0.248 CCCCOCCSC[C@@H](C)CC 62a_100000743108_100009816398 [0,3,0,0,0,0|0,0,0]=3 36557 B12R0.248 CCCCOCCSC[C@@H](C)CC 62a_100009816398_100000743108 [0,3,0,0,0,0|0,0,0]=3 36558 B12R0.248 CCCCOCCSC[C@@H](C)CO 62a_100000059175_100000743108 [0,3,0,0,0,0|0,0,0]=3 36559 B12R0.248 CCCCOCCSC[C@@H](C)CO 62a_100000743108_100000059175 [0,3,0,0,0,0|0,0,0]=3 36560 B12R0.248 CCCCOCCSC[C@@H](O)CF 62a_100000743108_100015614560 [0,3,0,0,0,0|0,0,0]=3 36561 B12R0.248 CCCCOCCSC[C@@H](O)CF 62a_100015614560_100000743108 [0,3,0,0,0,0|0,0,0]=3 36562 B12R0.248 CCCCOCCSC[C@@H](O)CO 62a_100000743108_100009815848 [0,3,0,0,0,0|0,0,0]=3 36563 B12R0.248 CCCCOCCSC[C@@H](O)CO 62a_100009815848_100000743108 [0,3,0,0,0,0|0,0,0]=3 36564 B12R0.248 CCCCOCNCCC(=O)NC 2230a_100000738227_100011995733 [0,3,0,0,0,0|0,0,1]=4 36565 B12R0.248 CCCCOCNCCC(=O)NC 34a_100000738227_100011995733 [0,3,0,0,0,0|0,0,1]=4 36566 B12R0.248 CCCCOCNCCC(C)CC 2230a_100020591266_100011995733 [0,3,0,0,0,0|0,0,0]=3 36567 B12R0.248 CCCCOCNCCC(C)CO 2230a_106354213184_100011995733 [0,3,0,0,0,0|0,0,0]=3 36568 B12R0.248 CCCCOCNCCC(C)CO 34a_106354213184_100011995733 [0,3,0,0,0,0|0,0,0]=3 36569 B12R0.248 CCCCOCOCCC(=O)NC 34a_100000754576_100011995733 [0,3,0,0,0,0|0,0,1]=4 36570 B12R0.248 CCCCOCSCCC(=O)NC 62a_100000737683_100011995733 [0,3,0,0,0,0|0,0,1]=4 36571 B12R0.248 CCCCOCSCCC(=O)NC 62a_100011995733_100000737683 [0,3,0,0,0,0|0,0,1]=4 36572 B12R0.248 CCCCOCSCCC(=O)OC 62a_100000204255_100011995733 [0,3,0,0,0,0|0,0,1]=4 36573 B12R0.248 CCCCOCSCCC(=O)OC 62a_100011995733_100000204255 [0,3,0,0,0,0|0,0,1]=4 36574 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [0,3,0,0,0,0|0,1,0]=4 36575 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [0,3,0,0,0,0|0,1,0]=4 36576 B12R0.248 CCCCSCCNCC(C)CC 2230a_100025743550_100000748023 [0,3,0,0,0,0|0,1,0]=4 36577 B12R0.248 CCCCSCCNCC(C)CC 270004a_100025743550_100000243153 [0,3,0,0,0,0|0,1,0]=4 36578 B12R0.248 CCCCSCCNCC(O)CC 2230a_100025743550_100011218378 [0,3,0,0,0,0|0,1,0]=4 36579 B12R0.248 CCCCSCCNCC(O)CO 2230a_100025743550_100011219619 [0,3,0,0,0,0|0,1,0]=4 36580 B12R0.248 CCCCSCCNC[C@@H](C)CC 2230a_100025743550_100009816398 [0,3,0,0,0,0|0,1,0]=4 36581 B12R0.248 CCCCSCCNC[C@@H](C)CO 2230a_100025743550_100000059175 [0,3,0,0,0,0|0,1,0]=4 36582 B12R0.248 CCCCSCCNC[C@@H](O)CF 2230a_100025743550_100015614560 [0,3,0,0,0,0|0,1,0]=4 36583 B12R0.248 CCCCSCCNC[C@@H](O)CO 2230a_100025743550_100009815848 [0,3,0,0,0,0|0,1,0]=4 36584 B12R0.248 CCCCSCCOCC(=O)CC 7a_200000230436_100000747405 [0,3,0,0,0,0|0,0,1]=4 36585 B12R0.248 CCCCSCCOCC(C)CC 34a_200000230436_100000748023 [0,3,0,0,0,0|0,0,0]=3 36586 B12R0.248 CCCCSCCOCC(C)CC 7a_200000230436_100000748023 [0,3,0,0,0,0|0,0,0]=3 36587 B12R0.248 CCCCSCCOCC(O)CC 34a_200000230436_100011218378 [0,3,0,0,0,0|0,0,0]=3 36588 B12R0.248 CCCCSCCOCC(O)CC 7a_200000230436_100011218378 [0,3,0,0,0,0|0,0,0]=3 36589 B12R0.248 CCCCSCCOCC(O)CO 34a_200000230436_100011219619 [0,3,0,0,0,0|0,1,0]=4 36590 B12R0.248 CCCCSCCOCC(O)CO 7a_200000230436_100011219619 [0,3,0,0,0,0|0,1,0]=4 36591 B12R0.248 CCCCSCCOC[C@@H](C)CC 34a_200000230436_100009816398 [0,3,0,0,0,0|0,0,0]=3 36592 B12R0.248 CCCCSCCOC[C@@H](C)CC 7a_200000230436_100009816398 [0,3,0,0,0,0|0,0,0]=3 36593 B12R0.248 CCCCSCCOC[C@@H](C)CO 34a_200000230436_100000059175 [0,3,0,0,0,0|0,1,0]=4 36594 B12R0.248 CCCCSCCOC[C@@H](C)CO 7a_200000230436_100000059175 [0,3,0,0,0,0|0,1,0]=4 36595 B12R0.248 CCCCSCCOC[C@@H](O)CF 34a_200000230436_100015614560 [0,3,0,0,0,0|0,1,0]=4 36596 B12R0.248 CCCCSCCOC[C@@H](O)CF 7a_200000230436_100015614560 [0,3,0,0,0,0|0,1,0]=4 36597 B12R0.248 CCCCSCCOC[C@@H](O)CO 34a_200000230436_100009815848 [0,3,0,0,0,0|0,1,0]=4 36598 B12R0.248 CCCCSCCOC[C@@H](O)CO 7a_200000230436_100009815848 [0,3,0,0,0,0|0,1,0]=4 36599 B12R0.248 CCCOCCCCCC(C)CC 7a_200000035636_100000210303 [0,3,0,0,0,0|1,0,0]=4 36600 B12R0.248 CCCOCCCNCC(C)CC 2230a_100011217757_100000748023 [0,3,0,0,0,0|1,0,0]=4 36601 B12R0.248 CCCOCCCNCC(C)CC 270004a_100011217757_100000243153 [0,3,0,0,0,0|1,0,0]=4 36602 B12R0.248 CCCOCCCNCC(C)CC 34a_100011217757_100000748023 [0,3,0,0,0,0|1,0,0]=4 36603 B12R0.248 CCCOCCCNCC(O)CC 2230a_100011217757_100011218378 [0,3,0,0,0,0|1,0,0]=4 36604 B12R0.248 CCCOCCCNCC(O)CC 34a_100011217757_100011218378 [0,3,0,0,0,0|1,0,0]=4 36605 B12R0.248 CCCOCCCNC[C@@H](C)CC 2230a_100011217757_100009816398 [0,3,0,0,0,0|1,0,0]=4 36606 B12R0.248 CCCOCCCNC[C@@H](C)CC 34a_100011217757_100009816398 [0,3,0,0,0,0|1,0,0]=4 36607 B12R0.248 CCCOCCNCCC(C)CC 2230a_100020591266_100011215938 [0,3,0,0,0,0|1,0,0]=4 36608 B12R0.248 CCCOCCNCCC(C)CO 2230a_106354213184_100011215938 [0,3,0,0,0,0|1,0,0]=4 36609 B12R0.248 CCCOCCNCCC(C)CO 34a_106354213184_100011215938 [0,3,0,0,0,0|1,0,0]=4 36610 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000752267_100012179268 [0,3,0,0,0,0|0,0,1]=4 36611 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000754576_100011215938 [0,3,0,0,0,0|0,0,1]=4 36612 B12R0.248 CCCOCCOCCC(=O)NC 7a_100000752267_100000737683 [0,3,0,0,0,0|0,0,1]=4 36613 B12R0.248 CCCOCCOCCC(=O)OC 34a_100000752267_100000742370 [0,3,0,0,0,0|0,0,1]=4 36614 B12R0.248 CCCOCCOCCC(=O)OC 7a_100000752267_100000204255 [0,3,0,0,0,0|0,0,1]=4 36615 B12R0.248 CCCOCCOCCC(C)CC 7a_100011215188_100011215938 [0,3,0,0,0,0|0,0,0]=3 36616 B12R0.248 CCCOCCOCCC(C)OC 7a_100000764861_100011215938 [0,3,0,0,0,0|0,0,0]=3 36617 B12R0.248 CCCSCCOCCC(=O)NC 34a_200000230433_100012179268 [0,3,0,0,0,0|0,0,1]=4 36618 B12R0.248 CCCSCCOCCC(=O)NC 7a_200000230433_100000737683 [0,3,0,0,0,0|0,0,1]=4 36619 B12R0.248 CCCSCCOCCC(=O)OC 34a_200000230433_100000742370 [0,3,0,0,0,0|0,0,1]=4 36620 B12R0.248 CCCSCCOCCC(=O)OC 7a_200000230433_100000204255 [0,3,0,0,0,0|0,0,1]=4 36621 B12R0.248 CCN(C)CCCCCCCCO 2230a_100000225621_100000033203 [0,3,0,0,0,0|1,0,0]=4 36622 B12R0.248 CCN(C)CCCCCCCCO 269982a_100000225621_100000033203 [0,3,0,0,0,0|1,0,0]=4 36623 B12R0.248 CCN(C)CCCNCCCCO 2230a_100000750430_100015186262 [0,3,0,0,0,0|1,0,0]=4 36624 B12R0.248 CCN(C)CCCNCCCSC 2230a_100000749238_100015186262 [0,3,0,0,0,0|1,0,0]=4 36625 B12R0.248 CCN(C)CCCOCCCCCl 7a_100000210776_100015186262 [0,3,0,0,0,0|0,0,0]=3 36626 B12R0.248 CCN(C)CCCOCCCCF 7a_100011995726_100015186262 [0,3,0,0,0,0|0,0,0]=3 36627 B12R0.248 CCN(C)CCCOCCCSC 7a_100000690336_100015186262 [0,3,0,0,0,0|0,0,0]=3 36628 B12R0.248 CCN(C)CCCSCCCCF 62a_100000729493_100015186262 [0,3,0,0,0,0|0,1,0]=4 36629 B12R0.248 CCN(C)CCCSCCCCO 62a_100000210776_100015186262 [0,3,0,0,0,0|0,1,0]=4 36630 B12R0.248 CCN(C)CCCSCCCOC 62a_100000709357_100015186262 [0,3,0,0,0,0|0,1,0]=4 36631 B12R0.248 CCN(C)CCOCCOCCO 2230a_100000225621_100000032323 [0,3,0,0,0,0|1,0,0]=4 36632 B12R0.248 CCN(C)CCOCCOCCO 2230a_200014138305_100000210202 [0,3,0,0,0,0|1,0,0]=4 36633 B12R0.248 CCN(C)CCOCCOCCO 269982a_100000225621_100000032323 [0,3,0,0,0,0|1,0,0]=4 36634 B12R0.248 CCN(C)CCOCCOCCO 269982a_200014138305_100000204670 [0,3,0,0,0,0|1,0,0]=4 36635 B12R0.248 CCN(C)CCOCCOCCO 34a_200014138305_100000210202 [0,3,0,0,0,0|1,0,0]=4 36636 B12R0.248 CCOCCCNCCC(C)CC 2230a_100020591266_100012232248 [0,3,0,0,0,0|1,0,0]=4 36637 B12R0.248 CCOCCCNCCC(C)CO 2230a_106354213184_100012232248 [0,3,0,0,0,0|1,0,0]=4 36638 B12R0.248 CCOCCCNCCC(C)CO 34a_106354213184_100012232248 [0,3,0,0,0,0|1,0,0]=4 36639 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000754576_100012232248 [0,3,0,0,0,0|0,0,1]=4 36640 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000757476_100012179268 [0,3,0,0,0,0|0,0,1]=4 36641 B12R0.248 CCOCCCOCCC(=O)NC 7a_100000757476_100000737683 [0,3,0,0,0,0|0,0,1]=4 36642 B12R0.248 CCOCCCOCCC(=O)OC 34a_100000757476_100000742370 [0,3,0,0,0,0|0,0,1]=4 36643 B12R0.248 CCOCCCOCCC(=O)OC 7a_100000757476_100000204255 [0,3,0,0,0,0|0,0,1]=4 36644 B12R0.248 CCOCCCOCCC(C)CC 7a_100011215188_100012232248 [0,3,0,0,0,0|0,0,0]=3 36645 B12R0.248 CCOCCCOCCC(C)OC 7a_100000764861_100012232248 [0,3,0,0,0,0|0,0,0]=3 36646 B12R0.248 CCOCCNCCCN(C)CC 2230a_102516460346_100015186262 [0,3,0,0,0,0|1,0,0]=4 36647 B12R0.248 CCOCCOCCCC(=O)NC 34a_100000210136_100000741757 [0,3,0,0,0,0|0,0,1]=4 36648 B12R0.248 CCOCCOCCCC(=O)NC 7a_100000210136_100000741757 [0,3,0,0,0,0|0,0,1]=4 36649 B12R0.248 CCOCCOCCCC(=O)OC 34a_100000210136_100000742333 [0,3,0,0,0,0|0,0,1]=4 36650 B12R0.248 CCOCCOCCCC(=O)OC 7a_100000210136_100011218270 [0,3,0,0,0,0|0,0,1]=4 36651 B12R0.248 CCOCCOCCCC(C)CC 7a_100011216074_100011215890 [0,3,0,0,0,0|0,0,0]=3 36652 B12R0.248 CCOCCOCCCN(C)CC 7a_100000210136_100015186262 [0,3,0,0,0,0|0,0,0]=3 36653 B12R0.248 CCOCCOCCC[C@@H](C)CN 34a_100160569302_100000210147 [0,3,0,0,0,0|0,0,0]=3 36654 B12R0.248 CCOCCOCCNC(=O)CC 11a_100102712874_100000210414 [0,3,0,0,0,0|0,0,1]=4 36655 B12R0.248 CCOCCOCCNC(=O)CC 1626a_100102712874_100000210414 [0,3,0,0,0,0|0,0,1]=4 36656 B12R0.248 CCOCCOCCNC(=O)CC 240690a_100102712874_100000210414 [0,3,0,0,0,0|0,0,1]=4 36657 B12R0.248 CCOCCOCCNC(=O)CC 34a_200000158885_100000210147 [0,3,0,0,0,0|0,0,1]=4 36658 B12R0.248 CCOCCOCCNC(=O)CC 527a_100102712874_100000210414 [0,3,0,0,0,0|0,0,1]=4 36659 B12R0.248 CCOCCOCCNC(=O)CC 7a_200000158885_100011215890 [0,3,0,0,0,0|0,0,1]=4 36660 B12R0.248 CCOCCOCCNC(C)C#N 2230a_100000737613_100011211534 [0,3,0,0,0,0|1,0,0]=4 36661 B12R0.248 CCOCCOCCNC(C)C#N 2230a_100102712874_100000184139 [0,3,0,0,0,0|1,0,0]=4 36662 B12R0.248 CCOCCOCCNC(C)CC 2230a_100000209981_100011211534 [0,3,0,0,0,0|0,0,0]=3 36663 B12R0.248 CCOCCOCCNC(C)CC 2230a_100102712874_100000758301 [0,3,0,0,0,0|0,0,0]=3 36664 B12R0.248 CCOCCOCCNC(C)CC 34a_100102712874_100011215416 [0,3,0,0,0,0|0,0,0]=3 36665 B12R0.248 CCOCCOCCNC(C)CO 2230a_100102712874_100012180447 [0,3,0,0,0,0|1,0,0]=4 36666 B12R0.248 CCOCCOCCNC(C)CO 34a_100102712874_100012180447 [0,3,0,0,0,0|1,0,0]=4 36667 B12R0.248 CCOCCOCCN[C@H](C)CO 2230a_100000737577_100011211534 [0,3,0,0,0,0|1,0,0]=4 36668 B12R0.248 CCOCCOCCOC(=O)CC 7a_200000031056_100011215890 [0,3,0,0,0,0|0,0,1]=4 36669 B12R0.248 CCOCCOCCOC(C)C#N 34a_100011218135_100011211534 [0,3,0,0,0,0|1,0,0]=4 36670 B12R0.248 CCOCCOCCOC(C)C#N 7a_100000210240_100000703298 [0,3,0,0,0,0|1,0,0]=4 36671 B12R0.248 CCOCCOCCOC(C)CC 34a_100000210240_100011215416 [0,3,0,0,0,0|0,0,0]=3 36672 B12R0.248 CCOCCOCCOC(C)CC 7a_100000210228_100011211534 [0,3,0,0,0,0|0,0,0]=3 36673 B12R0.248 CCOCCOCCOC(C)CC 7a_100000210240_100000758301 [0,3,0,0,0,0|0,0,0]=3 36674 B12R0.248 CCOCCOCCOC(C)CF 34a_100016041109_100011211534 [0,3,0,0,0,0|1,0,0]=4 36675 B12R0.248 CCOCCOCCOC(C)CF 7a_100016041109_100011211534 [0,3,0,0,0,0|1,0,0]=4 36676 B12R0.248 CCOCCOCCOC(C)CN 34a_100000210904_100011211534 [0,3,0,0,0,0|1,0,0]=4 36677 B12R0.248 CCOCCOCCOC(C)CO 34a_100000210240_100012180447 [0,3,0,0,0,0|1,0,0]=4 36678 B12R0.248 CCOCCOCCOC(C)CO 7a_100000210240_100012180447 [0,3,0,0,0,0|1,0,0]=4 36679 B12R0.248 CCOCCOCCSC(C)C#N 62a_100000703298_100011211534 [0,3,0,0,0,0|1,0,0]=4 36680 B12R0.248 CCOCCOCCSC(C)C#N 62a_100011211534_100000703298 [0,3,0,0,0,0|1,0,0]=4 36681 B12R0.248 CCOCCOCCSC(C)CC 62a_100000758301_100011211534 [0,3,0,0,0,0|0,0,0]=3 36682 B12R0.248 CCOCCOCCSC(C)CC 62a_100011211534_100000758301 [0,3,0,0,0,0|0,0,0]=3 36683 B12R0.248 CCOCCOCCSC(C)CO 62a_100012180447_100011211534 [0,3,0,0,0,0|1,0,0]=4 36684 B12R0.248 CCOCCOCCSC(C)OC 62a_100009879195_100011211534 [0,3,0,0,0,0|1,0,0]=4 36685 B12R0.248 CCOCCOCCSC(C)OC 62a_100011211534_100009879195 [0,3,0,0,0,0|1,0,0]=4 36686 B12R0.248 CCOCCOCCS[C@H](C)CO 62a_100011211534_100016084084 [0,3,0,0,0,0|1,0,0]=4 36687 B12R0.248 CCOCCOCCS[C@H](C)CO 62a_100016084084_100011211534 [0,3,0,0,0,0|1,0,0]=4 36688 B12R0.248 CCOCCSCCCN(C)CC 62a_100000210147_100015186262 [0,3,0,0,0,0|0,1,0]=4 36689 B12R0.248 CCSCCCOCCC(=O)NC 34a_100011216438_100012179268 [0,3,0,0,0,0|0,0,1]=4 36690 B12R0.248 CCSCCCOCCC(=O)NC 7a_100011216438_100000737683 [0,3,0,0,0,0|0,0,1]=4 36691 B12R0.248 CCSCCCOCCC(=O)OC 34a_100011216438_100000742370 [0,3,0,0,0,0|0,0,1]=4 36692 B12R0.248 CCSCCCOCCC(=O)OC 7a_100011216438_100000204255 [0,3,0,0,0,0|0,0,1]=4 36693 B12R0.248 CCSCCNCCCN(C)CC 2230a_100000106463_100015186262 [0,3,0,0,0,0|1,0,0]=4 36694 B12R0.248 CCSCCOCCCC(=O)NC 34a_100000212035_100000741757 [0,3,0,0,0,0|0,0,1]=4 36695 B12R0.248 CCSCCOCCCC(=O)NC 7a_100000212035_100000741757 [0,3,0,0,0,0|0,0,1]=4 36696 B12R0.248 CCSCCOCCCC(=O)OC 34a_100000212035_100000742333 [0,3,0,0,0,0|0,0,1]=4 36697 B12R0.248 CCSCCOCCCC(=O)OC 7a_100000212035_100011218270 [0,3,0,0,0,0|0,0,1]=4 36698 B12R0.248 CCSCCOCCCC(C)CC 7a_100011216074_100000757381 [0,3,0,0,0,0|0,0,0]=3 36699 B12R0.248 CCSCCOCCCN(C)CC 7a_100000212035_100015186262 [0,3,0,0,0,0|0,0,0]=3 36700 B12R0.248 CCSCCOCCC[C@@H](C)CN 34a_100160569302_100000757381 [0,3,0,0,0,0|0,0,0]=3 36701 B12R0.248 CCSCCOCCNC(=O)CC 34a_200000158885_100000757381 [0,3,0,0,0,0|0,0,1]=4 36702 B12R0.248 CCSCCOCCNC(=O)CC 7a_200000158885_100000757381 [0,3,0,0,0,0|0,0,1]=4 36703 B12R0.248 CCSCCOCCOC(=O)CC 7a_200000031056_100000757381 [0,3,0,0,0,0|0,0,1]=4 36704 B12R0.248 CCSCCSCCCN(C)CC 62a_100000757381_100015186262 [0,3,0,0,0,0|0,1,0]=4 36705 B12R0.248 CC[C@H](C)CNCCCCCCO 2230a_100000686447_100009816398 [0,3,0,0,0,0|1,0,0]=4 36706 B12R0.248 CC[C@H](C)CNCCCCCCO 34a_100000686447_100009816398 [0,3,0,0,0,0|1,0,0]=4 36707 B12R0.248 CC[C@H](C)CNCCCCCOC 2230a_100000747528_100009816398 [0,3,0,0,0,0|1,0,0]=4 36708 B12R0.248 CC[C@H](C)CNCCCCCOC 34a_100000747528_100009816398 [0,3,0,0,0,0|1,0,0]=4 36709 B12R0.248 CC[C@H](C)CNCCOCCOC 2230a_100000745349_100009816398 [0,3,0,0,0,0|1,0,0]=4 36710 B12R0.248 CC[C@H](C)CNCCOCCOC 34a_100000745349_100009816398 [0,3,0,0,0,0|1,0,0]=4 36711 B12R0.248 CC[C@H](C)COCCCCCC#N 7a_100009816381_100009813376 [0,3,0,0,0,0|0,0,0]=3 36712 B12R0.248 CC[C@H](C)COCCCCCC=O 7a_100009816381_100000139337 [0,3,0,0,0,0|0,0,0]=3 36713 B12R0.248 CC[C@H](C)COCCCCCCBr 34a_100011215345_100009816398 [0,3,0,0,0,0|0,0,0]=3 36714 B12R0.248 CC[C@H](C)COCCCCCCBr 7a_100011215345_100009816398 [0,3,0,0,0,0|0,0,0]=3 36715 B12R0.248 CC[C@H](C)COCCCCCCCl 34a_100000766143_100009816398 [0,3,0,0,0,0|0,0,0]=3 36716 B12R0.248 CC[C@H](C)COCCCCCCCl 7a_100000766143_100009816398 [0,3,0,0,0,0|0,0,0]=3 36717 B12R0.248 CC[C@H](C)COCCCCCCF 34a_100000732779_100009816398 [0,3,0,0,0,0|0,0,0]=3 36718 B12R0.248 CC[C@H](C)COCCCCCCF 7a_100000732779_100009816398 [0,3,0,0,0,0|0,0,0]=3 36719 B12R0.248 CC[C@H](C)COCCCCCCF 7a_100009816381_100015922095 [0,3,0,0,0,0|0,0,0]=3 36720 B12R0.248 CC[C@H](C)COCCCCCCN 34a_100000686447_100009816398 [0,3,0,0,0,0|0,0,0]=3 36721 B12R0.248 CC[C@H](C)COCCCCCCO 7a_100009816381_100000766143 [0,3,0,0,0,0|0,0,0]=3 36722 B12R0.248 CC[C@H](C)COCCCCCNC 34a_100000722520_100009816398 [0,3,0,0,0,0|0,0,0]=3 36723 B12R0.248 CC[C@H](C)COCCOCCNC 34a_100000228057_100009816398 [0,3,0,0,0,0|0,0,0]=3 36724 B12R0.248 CC[C@H](C)COCCOCCOC 34a_100011215163_100009816398 [0,3,0,0,0,0|0,0,0]=3 36725 B12R0.248 CC[C@H](C)COCCOCCOC 7a_100009816381_100000695917 [0,3,0,0,0,0|0,0,0]=3 36726 B12R0.248 CC[C@H](C)COCCOCCOC 7a_100011215163_100009816398 [0,3,0,0,0,0|0,0,0]=3 36727 B12R0.248 CC[C@H](C)CSCCCCCC#N 62a_100009813376_100009816398 [0,3,0,0,0,0|0,1,0]=4 36728 B12R0.248 CC[C@H](C)CSCCCCCC#N 62a_100009816398_100009813376 [0,3,0,0,0,0|0,1,0]=4 36729 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100000139337_100009816398 [0,3,0,0,0,0|0,1,0]=4 36730 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100009816398_100000139337 [0,3,0,0,0,0|0,1,0]=4 36731 B12R0.248 CC[C@H](C)CSCCCCCCF 62a_100009816398_100015922095 [0,3,0,0,0,0|0,1,0]=4 36732 B12R0.248 CC[C@H](C)CSCCCCCCF 62a_100015922095_100009816398 [0,3,0,0,0,0|0,1,0]=4 36733 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100000766143_100009816398 [0,3,0,0,0,0|0,1,0]=4 36734 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100009816398_100000766143 [0,3,0,0,0,0|0,1,0]=4 36735 B12R0.248 CC[C@H](C)CSCCOCCOC 62a_100000695917_100009816398 [0,3,0,0,0,0|0,1,0]=4 36736 B12R0.248 CC[C@H](C)CSCCOCCOC 62a_100009816398_100000695917 [0,3,0,0,0,0|0,1,0]=4 36737 B12R0.248 CNC(=O)CCCOCCCCBr 34a_100011216708_100000741757 [0,3,0,0,0,0|0,0,1]=4 36738 B12R0.248 CNC(=O)CCCOCCCCCl 34a_100000210776_100000741757 [0,3,0,0,0,0|0,0,1]=4 36739 B12R0.248 CNC(=O)CCCOCCCCCl 7a_100000210776_100000741757 [0,3,0,0,0,0|0,0,1]=4 36740 B12R0.248 CNC(=O)CCCOCCCCF 34a_100011995726_100000741757 [0,3,0,0,0,0|0,0,1]=4 36741 B12R0.248 CNC(=O)CCCOCCCCF 7a_100011995726_100000741757 [0,3,0,0,0,0|0,0,1]=4 36742 B12R0.248 CNC(=O)CCCOCCCCI 34a_200012148704_100000741757 [0,3,0,0,0,0|0,0,1]=4 36743 B12R0.248 CNC(=O)CCCOCCCCN 34a_100000750430_100000741757 [0,3,0,0,0,0|0,0,1]=4 36744 B12R0.248 CNC(=O)CCCOCCCOC 34a_100000740835_100000741757 [0,3,0,0,0,0|0,0,1]=4 36745 B12R0.248 CNC(=O)CCCOCCCSC 34a_100000690336_100000741757 [0,3,0,0,0,0|0,0,1]=4 36746 B12R0.248 CNC(=O)CCCOCCCSC 7a_100000690336_100000741757 [0,3,0,0,0,0|0,0,1]=4 36747 B12R0.248 CNC(=O)CCOCCCCCBr 34a_100000746331_100012179268 [0,3,0,0,0,0|0,0,1]=4 36748 B12R0.248 CNC(=O)CCOCCCCCBr 7a_100000746331_100000737683 [0,3,0,0,0,0|0,0,1]=4 36749 B12R0.248 CNC(=O)CCOCCCCCCl 34a_100000746330_100012179268 [0,3,0,0,0,0|0,0,1]=4 36750 B12R0.248 CNC(=O)CCOCCCCCCl 7a_100000746330_100000737683 [0,3,0,0,0,0|0,0,1]=4 36751 B12R0.248 CNC(=O)CCOCCCCCF 34a_100000754576_100000729378 [0,3,0,0,0,0|0,0,1]=4 36752 B12R0.248 CNC(=O)CCOCCCCCI 34a_200012148887_100012179268 [0,3,0,0,0,0|0,0,1]=4 36753 B12R0.248 CNC(=O)CCOCCCCCI 7a_200012148887_100000737683 [0,3,0,0,0,0|0,0,1]=4 36754 B12R0.248 CNC(=O)CCOCCCCCN 34a_100000762737_100012179268 [0,3,0,0,0,0|0,0,1]=4 36755 B12R0.248 CNC(=O)CCOCCCCCO 34a_100000754576_100000746330 [0,3,0,0,0,0|0,0,1]=4 36756 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000740925_100012179268 [0,3,0,0,0,0|0,0,1]=4 36757 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000754576_100000755781 [0,3,0,0,0,0|0,0,1]=4 36758 B12R0.248 CNC(=O)CCOCCCCSC 34a_100011217163_100012179268 [0,3,0,0,0,0|0,0,1]=4 36759 B12R0.248 CNC(=O)CCOCCCCSC 7a_100011217163_100000737683 [0,3,0,0,0,0|0,0,1]=4 36760 B12R0.248 CNCCCCCOCC(O)CO 34a_100000722520_100011219619 [0,3,0,0,0,0|1,0,0]=4 36761 B12R0.248 CNCCCCCOC[C@@H](C)CO 34a_100000722520_100000059175 [0,3,0,0,0,0|1,0,0]=4 36762 B12R0.248 CNCCCCCOC[C@@H](O)CF 34a_100000722520_100015614560 [0,3,0,0,0,0|1,0,0]=4 36763 B12R0.248 CNCCCCCOC[C@@H](O)CO 34a_100000722520_100009815848 [0,3,0,0,0,0|1,0,0]=4 36764 B12R0.248 CNCCCOCCCC(=O)NC 34a_100000213112_100000741757 [0,3,0,0,0,0|0,0,1]=4 36765 B12R0.248 CNCCCOCCCC(=O)OC 34a_100000213112_100000742333 [0,3,0,0,0,0|0,0,1]=4 36766 B12R0.248 CNCCOCCOCC(O)CO 34a_100000228057_100011219619 [0,3,0,0,0,0|1,0,0]=4 36767 B12R0.248 CNCCOCCOC[C@@H](C)CO 34a_100000228057_100000059175 [0,3,0,0,0,0|1,0,0]=4 36768 B12R0.248 CNCCOCCOC[C@@H](O)CF 34a_100000228057_100015614560 [0,3,0,0,0,0|1,0,0]=4 36769 B12R0.248 CNCCOCCOC[C@@H](O)CO 34a_100000228057_100009815848 [0,3,0,0,0,0|1,0,0]=4 36770 B12R0.248 COC(=O)CCCCOCCCBr 34a_100011217188_100000204269 [0,3,0,0,0,0|1,0,0]=4 36771 B12R0.248 COC(=O)CCCCOCCCCl 34a_100000230001_100000204269 [0,3,0,0,0,0|1,0,0]=4 36772 B12R0.248 COC(=O)CCCCOCCCF 34a_100000059025_100011934791 [0,3,0,0,0,0|1,0,0]=4 36773 B12R0.248 COC(=O)CCCCOCCCF 34a_100000759539_100000204269 [0,3,0,0,0,0|1,0,0]=4 36774 B12R0.248 COC(=O)CCCCOCCCF 7a_100000059025_100011934791 [0,3,0,0,0,0|1,0,0]=4 36775 B12R0.248 COC(=O)CCCCOCCCN 34a_100000182051_100000204269 [0,3,0,0,0,0|1,0,0]=4 36776 B12R0.248 COC(=O)CCCCOCCCO 34a_100000059025_100000230001 [0,3,0,0,0,0|1,0,0]=4 36777 B12R0.248 COC(=O)CCCCOCCCO 7a_100000059025_100011215043 [0,3,0,0,0,0|1,0,0]=4 36778 B12R0.248 COC(=O)CCCCOCCSC 34a_100000059025_100000212216 [0,3,0,0,0,0|1,0,0]=4 36779 B12R0.248 COC(=O)CCCCOCCSC 34a_100000230434_100000204269 [0,3,0,0,0,0|1,0,0]=4 36780 B12R0.248 COC(=O)CCCCOCCSC 7a_100000059025_100000212216 [0,3,0,0,0,0|1,0,0]=4 36781 B12R0.248 COC(=O)CCCCOCCSC 7a_100000230434_100000204269 [0,3,0,0,0,0|1,0,0]=4 36782 B12R0.248 COC(=O)CCCOCCCCBr 34a_100011216708_100000742333 [0,3,0,0,0,0|0,0,1]=4 36783 B12R0.248 COC(=O)CCCOCCCCCl 34a_100000210776_100000742333 [0,3,0,0,0,0|0,0,1]=4 36784 B12R0.248 COC(=O)CCCOCCCCCl 7a_100000210776_100011218270 [0,3,0,0,0,0|0,0,1]=4 36785 B12R0.248 COC(=O)CCCOCCCCF 34a_100011995726_100000742333 [0,3,0,0,0,0|0,0,1]=4 36786 B12R0.248 COC(=O)CCCOCCCCF 7a_100011995726_100011218270 [0,3,0,0,0,0|0,0,1]=4 36787 B12R0.248 COC(=O)CCCOCCCCI 34a_200012148704_100000742333 [0,3,0,0,0,0|0,0,1]=4 36788 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [0,3,0,0,0,0|0,0,1]=4 36789 B12R0.248 COC(=O)CCCOCCCSC 34a_100000690336_100000742333 [0,3,0,0,0,0|0,0,1]=4 36790 B12R0.248 COC(=O)CCCOCCCSC 7a_100000690336_100011218270 [0,3,0,0,0,0|0,0,1]=4 36791 B12R0.248 COC(=O)CCOCCCCCBr 34a_100000746331_100000742370 [0,3,0,0,0,0|0,0,1]=4 36792 B12R0.248 COC(=O)CCOCCCCCBr 7a_100000746331_100000204255 [0,3,0,0,0,0|0,0,1]=4 36793 B12R0.248 COC(=O)CCOCCCCCCl 34a_100000746330_100000742370 [0,3,0,0,0,0|0,0,1]=4 36794 B12R0.248 COC(=O)CCOCCCCCCl 7a_100000746330_100000204255 [0,3,0,0,0,0|0,0,1]=4 36795 B12R0.248 COC(=O)CCOCCCCCI 34a_200012148887_100000742370 [0,3,0,0,0,0|0,0,1]=4 36796 B12R0.248 COC(=O)CCOCCCCCI 7a_200012148887_100000204255 [0,3,0,0,0,0|0,0,1]=4 36797 B12R0.248 COC(=O)CCOCCCCCN 34a_100000762737_100000742370 [0,3,0,0,0,0|0,0,1]=4 36798 B12R0.248 COC(=O)CCOCCCCSC 34a_100011217163_100000742370 [0,3,0,0,0,0|0,0,1]=4 36799 B12R0.248 COC(=O)CCOCCCCSC 7a_100011217163_100000204255 [0,3,0,0,0,0|0,0,1]=4 36800 B12R0.248 COC(C)CCOCCCCC#N 7a_100000764861_100000211819 [0,3,0,0,0,0|0,0,1]=4 36801 B12R0.248 COC(C)CCOCCCCC=O 7a_100000764861_100000139335 [0,3,0,0,0,0|0,0,1]=4 36802 B12R0.248 COC(C)CCOCCCCCF 7a_100000764861_100000729378 [0,3,0,0,0,0|0,0,0]=3 36803 B12R0.248 COC(C)CCOCCCCCO 7a_100000764861_100000746330 [0,3,0,0,0,0|0,0,0]=3 36804 B12R0.248 COC(C)CCOCCOCCO 7a_100000764861_100011215305 [0,3,0,0,0,0|1,0,0]=4 36805 B12R0.248 COC(C)COCCCCCCF 34a_100000690652_100015922095 [0,3,0,0,0,0|1,0,0]=4 36806 B12R0.248 COC(C)COCCCCCCO 34a_100000690652_100000766143 [0,3,0,0,0,0|1,0,0]=4 36807 B12R0.248 COCCCCNCCC(C)CO 2230a_106354213184_100000730899 [0,3,0,0,0,0|1,0,0]=4 36808 B12R0.248 COCCCCNCCC(C)CO 34a_106354213184_100000755781 [0,3,0,0,0,0|1,0,0]=4 36809 B12R0.248 COCCCCOCCC(=O)OC 34a_100000740925_100000742370 [0,3,0,0,0,0|0,0,1]=4 36810 B12R0.248 COCCCCOCCC(C)OC 7a_100000764861_100000730899 [0,3,0,0,0,0|0,0,0]=3 36811 B12R0.248 COCCCOCCCC(=O)OC 34a_100000740835_100000742333 [0,3,0,0,0,0|0,0,1]=4 36812 B12R0.248 COCCCOCCC[C@@H](C)CN 34a_100160569302_100000740836 [0,3,0,0,0,0|0,0,0]=3 36813 B12R0.248 COCCOCCCCC(=O)OC 34a_100000059025_100011201679 [0,3,0,0,0,0|1,0,0]=4 36814 B12R0.248 COCCOCCCCC(=O)OC 34a_100000210237_100000204269 [0,3,0,0,0,0|1,0,0]=4 36815 B12R0.248 COCCOCCCCC(=O)OC 7a_100000059025_100000233755 [0,3,0,0,0,0|1,0,0]=4 36816 B12R0.248 COCCOCCCNC(C)C#N 2230a_100000206027_100000184139 [0,3,0,0,0,0|1,0,0]=4 36817 B12R0.248 COCCOCCCNC(C)C#N 2230a_100000737613_100011216529 [0,3,0,0,0,0|1,0,0]=4 36818 B12R0.248 COCCOCCCNC(C)CO 2230a_100000206027_100012180447 [0,3,0,0,0,0|1,0,0]=4 36819 B12R0.248 COCCOCCCNC(C)CO 34a_100000206027_100012180447 [0,3,0,0,0,0|1,0,0]=4 36820 B12R0.248 COCCOCCCN[C@H](C)CO 2230a_100000737577_100011216529 [0,3,0,0,0,0|1,0,0]=4 36821 B12R0.248 COCCOCCCOC(C)C#N 34a_100011218135_100011216529 [0,3,0,0,0,0|1,0,0]=4 36822 B12R0.248 COCCOCCCOC(C)CF 34a_100016041109_100011216529 [0,3,0,0,0,0|1,0,0]=4 36823 B12R0.248 COCCOCCCOC(C)CF 7a_100016041109_100011216529 [0,3,0,0,0,0|1,0,0]=4 36824 B12R0.248 COCCOCCCOC(C)CN 34a_100000210904_100011216529 [0,3,0,0,0,0|1,0,0]=4 36825 B12R0.248 COCCOCCCSC(C)C#N 62a_100000703298_100011216529 [0,3,0,0,0,0|1,0,0]=4 36826 B12R0.248 COCCOCCCSC(C)C#N 62a_100011216529_100000703298 [0,3,0,0,0,0|1,0,0]=4 36827 B12R0.248 COCCOCCCSC(C)CO 62a_100012180447_100011216529 [0,3,0,0,0,0|1,0,0]=4 36828 B12R0.248 COCCOCCCSC(C)OC 62a_100009879195_100011216529 [0,3,0,0,0,0|1,0,0]=4 36829 B12R0.248 COCCOCCCSC(C)OC 62a_100011216529_100009879195 [0,3,0,0,0,0|1,0,0]=4 36830 B12R0.248 COCCOCCCS[C@H](C)CO 62a_100011216529_100016084084 [0,3,0,0,0,0|1,0,0]=4 36831 B12R0.248 COCCOCCCS[C@H](C)CO 62a_100016084084_100011216529 [0,3,0,0,0,0|1,0,0]=4 36832 B12R0.248 COCCOCCNCC(C)CO 34a_100000744482_100000695917 [0,3,0,0,0,0|1,0,0]=4 36833 B12R0.248 COCCOCCNCC(O)CO 2230a_100000745349_100011219619 [0,3,0,0,0,0|1,0,0]=4 36834 B12R0.248 COCCOCCNCC(O)CO 34a_100000745349_100011219619 [0,3,0,0,0,0|1,0,0]=4 36835 B12R0.248 COCCOCCNC[C@@H](C)CO 2230a_100000745349_100000059175 [0,3,0,0,0,0|1,0,0]=4 36836 B12R0.248 COCCOCCNC[C@@H](C)CO 34a_100000745349_100000059175 [0,3,0,0,0,0|1,0,0]=4 36837 B12R0.248 COCCOCCNC[C@@H](C)OC 2230a_100020591295_100000695917 [0,3,0,0,0,0|1,0,0]=4 36838 B12R0.248 COCCOCCNC[C@@H](F)CO 34a_100015665980_100000695917 [0,3,0,0,0,0|1,0,0]=4 36839 B12R0.248 COCCOCCNC[C@@H](O)CF 2230a_100000745349_100015614560 [0,3,0,0,0,0|1,0,0]=4 36840 B12R0.248 COCCOCCNC[C@@H](O)CF 34a_100000745349_100015614560 [0,3,0,0,0,0|1,0,0]=4 36841 B12R0.248 COCCOCCNC[C@@H](O)CO 2230a_100000745349_100009815848 [0,3,0,0,0,0|1,0,0]=4 36842 B12R0.248 COCCOCCNC[C@@H](O)CO 34a_100000745349_100009815848 [0,3,0,0,0,0|1,0,0]=4 36843 B12R0.248 COCCOCCNC[C@H](O)CO 2230a_100020644852_100000695917 [0,3,0,0,0,0|1,0,0]=4 36844 B12R0.248 COCCOCCOCC(C)CN 34a_100000744482_100000695917 [0,3,0,0,0,0|1,0,0]=4 36845 B12R0.248 COCCOCCOCC(C)OC 34a_100000690652_100000695917 [0,3,0,0,0,0|1,0,0]=4 36846 B12R0.248 COCCOCCOCC(Cl)CCl 34a_100000033668_100000695917 [0,3,0,0,0,0|1,0,0]=4 36847 B12R0.248 COCCOCCOCC(O)CO 34a_100011215163_100011219619 [0,3,0,0,0,0|1,0,0]=4 36848 B12R0.248 COCCOCCOCC(O)CO 7a_100011215163_100011219619 [0,3,0,0,0,0|1,0,0]=4 36849 B12R0.248 COCCOCCOC[C@@H](C)CO 34a_100011215163_100000059175 [0,3,0,0,0,0|1,0,0]=4 36850 B12R0.248 COCCOCCOC[C@@H](C)CO 7a_100011215163_100000059175 [0,3,0,0,0,0|1,0,0]=4 36851 B12R0.248 COCCOCCOC[C@@H](O)CF 34a_100011215163_100015614560 [0,3,0,0,0,0|1,0,0]=4 36852 B12R0.248 COCCOCCOC[C@@H](O)CF 7a_100011215163_100015614560 [0,3,0,0,0,0|1,0,0]=4 36853 B12R0.248 COCCOCCOC[C@@H](O)CO 34a_100011215163_100009815848 [0,3,0,0,0,0|1,0,0]=4 36854 B12R0.248 COCCOCCOC[C@@H](O)CO 7a_100011215163_100009815848 [0,3,0,0,0,0|1,0,0]=4 36855 B12R0.248 COCCOCCOC[C@H](F)CN 34a_100015665980_100000695917 [0,3,0,0,0,0|1,0,0]=4 36856 B12R0.248 COCCOCCSCC(O)CO 62a_100000695917_100011219619 [0,3,0,0,0,0|1,0,0]=4 36857 B12R0.248 COCCOCCSCC(O)CO 62a_100011219619_100000695917 [0,3,0,0,0,0|1,0,0]=4 36858 B12R0.248 COCCOCCSC[C@@H](C)CO 62a_100000059175_100000695917 [0,3,0,0,0,0|1,0,0]=4 36859 B12R0.248 COCCOCCSC[C@@H](C)CO 62a_100000695917_100000059175 [0,3,0,0,0,0|1,0,0]=4 36860 B12R0.248 COCCOCCSC[C@@H](O)CF 62a_100000695917_100015614560 [0,3,0,0,0,0|1,0,0]=4 36861 B12R0.248 COCCOCCSC[C@@H](O)CF 62a_100015614560_100000695917 [0,3,0,0,0,0|1,0,0]=4 36862 B12R0.248 COCCOCCSC[C@@H](O)CO 62a_100000695917_100009815848 [0,3,0,0,0,0|1,0,0]=4 36863 B12R0.248 COCCOCCSC[C@@H](O)CO 62a_100009815848_100000695917 [0,3,0,0,0,0|1,0,0]=4 36864 B12R0.248 COCCOCNCCC(C)CO 2230a_106354213184_100000231047 [0,3,0,0,0,0|1,0,0]=4 36865 B12R0.248 C[C@@H](CN)CCCOCCCCF 34a_100160569302_100000729493 [0,3,0,0,0,0|0,0,0]=3 36866 B12R0.248 C[C@@H](CN)CCCOCCCCO 34a_100160569302_100011216708 [0,3,0,0,0,0|0,0,0]=3 36867 B12R0.248 C[C@@H](CO)COCCCCCCBr 34a_100011215345_100000059175 [0,3,0,0,0,0|1,0,0]=4 36868 B12R0.248 C[C@@H](CO)COCCCCCCBr 7a_100011215345_100000059175 [0,3,0,0,0,0|1,0,0]=4 36869 B12R0.248 C[C@@H](CO)COCCCCCCCl 34a_100000766143_100000059175 [0,3,0,0,0,0|1,0,0]=4 36870 B12R0.248 C[C@@H](CO)COCCCCCCCl 7a_100000766143_100000059175 [0,3,0,0,0,0|1,0,0]=4 36871 B12R0.248 C[C@@H](CO)COCCCCCCF 34a_100000732779_100000059175 [0,3,0,0,0,0|1,0,0]=4 36872 B12R0.248 C[C@@H](CO)COCCCCCCF 7a_100000732779_100000059175 [0,3,0,0,0,0|1,0,0]=4 36873 B12R0.248 C[C@@H](CO)COCCCCCCN 34a_100000686447_100000059175 [0,3,0,0,0,0|1,0,0]=4 36874 B12R0.248 FCCCCCCOCC(Cl)CCl 34a_100000033668_100015922095 [0,3,0,0,0,0|1,0,0]=4 36875 B12R0.248 NCCCCCCOCC(O)CO 34a_100000686447_100011219619 [0,3,0,0,0,0|1,0,0]=4 36876 B12R0.248 NCCCCCCOC[C@@H](O)CF 34a_100000686447_100015614560 [0,3,0,0,0,0|1,0,0]=4 36877 B12R0.248 NCCCCCCOC[C@@H](O)CO 34a_100000686447_100009815848 [0,3,0,0,0,0|1,0,0]=4 36878 B12R0.248 NC[C@@H](F)COCCCCCCF 34a_100015665980_100015922095 [0,3,0,0,0,0|1,0,0]=4 36879 B12R0.248 NC[C@@H](F)COCCCCCCO 34a_100015665980_100000766143 [0,3,0,0,0,0|1,0,0]=4 36880 B12R0.248 OCC(O)COCCCCCCBr 34a_100011215345_100011219619 [0,3,0,0,0,0|1,0,0]=4 36881 B12R0.248 OCC(O)COCCCCCCBr 7a_100011215345_100011219619 [0,3,0,0,0,0|1,0,0]=4 36882 B12R0.248 OCC(O)COCCCCCCCl 34a_100000766143_100011219619 [0,3,0,0,0,0|1,0,0]=4 36883 B12R0.248 OCC(O)COCCCCCCCl 7a_100000766143_100011219619 [0,3,0,0,0,0|1,0,0]=4 36884 B12R0.248 OCC(O)COCCCCCCF 34a_100000732779_100011219619 [0,3,0,0,0,0|1,0,0]=4 36885 B12R0.248 OCC(O)COCCCCCCF 7a_100000732779_100011219619 [0,3,0,0,0,0|1,0,0]=4 36886 B12R0.248 OCCCCCCOCC(Cl)CCl 34a_100000033668_100000766143 [0,3,0,0,0,0|1,0,0]=4 36887 B12R0.248 OC[C@H](O)COCCCCCCBr 34a_100011215345_100009815848 [0,3,0,0,0,0|1,0,0]=4 36888 B12R0.248 OC[C@H](O)COCCCCCCBr 7a_100011215345_100009815848 [0,3,0,0,0,0|1,0,0]=4 36889 B12R0.248 OC[C@H](O)COCCCCCCCl 34a_100000766143_100009815848 [0,3,0,0,0,0|1,0,0]=4 36890 B12R0.248 OC[C@H](O)COCCCCCCCl 7a_100000766143_100009815848 [0,3,0,0,0,0|1,0,0]=4 36891 B12R0.248 OC[C@H](O)COCCCCCCF 34a_100000732779_100009815848 [0,3,0,0,0,0|1,0,0]=4 36892 B12R0.248 OC[C@H](O)COCCCCCCF 7a_100000732779_100009815848 [0,3,0,0,0,0|1,0,0]=4 36893 B12R0.248 O[C@@H](CF)COCCCCCCBr 34a_100011215345_100015614560 [0,3,0,0,0,0|1,0,0]=4 36894 B12R0.248 O[C@@H](CF)COCCCCCCBr 7a_100011215345_100015614560 [0,3,0,0,0,0|1,0,0]=4 36895 B12R0.248 O[C@@H](CF)COCCCCCCCl 34a_100000766143_100015614560 [0,3,0,0,0,0|1,0,0]=4 36896 B12R0.248 O[C@@H](CF)COCCCCCCCl 7a_100000766143_100015614560 [0,3,0,0,0,0|1,0,0]=4 36897 B12R0.248 O[C@@H](CF)COCCCCCCF 34a_100000732779_100015614560 [0,3,0,0,0,0|1,0,0]=4 36898 B12R0.248 O[C@@H](CF)COCCCCCCF 7a_100000732779_100015614560 [0,3,0,0,0,0|1,0,0]=4 36899 B12R0.251 C#CCCCCOC[C@H](N)C(C)C 34a_100011830312_100010269958 [0,3,0,0,0,0|0,0,1]=4 36900 B12R0.251 C#CCCCOCCC(N)C(C)C 34a_100161115045_100000695029 [0,3,0,0,0,0|0,0,1]=4 36901 B12R0.251 C=CCCCCOC[C@H](N)C(C)C 34a_100011830312_100011215482 [0,3,0,0,0,0|0,0,1]=4 36902 B12R0.251 C=CCCCOCCC(N)C(C)C 34a_100161115045_100000757094 [0,3,0,0,0,0|0,0,1]=4 36903 B12R0.251 CC(=O)C(C)COCCCCCF 34a_100000032740_100000729378 [0,3,0,0,0,0|0,0,1]=4 36904 B12R0.251 CC(=O)C(C)COCCCCCF 7a_100000032740_100000729378 [0,3,0,0,0,0|0,0,1]=4 36905 B12R0.251 CC(=O)C(C)COCCCCCO 34a_100000032740_100000746330 [0,3,0,0,0,0|0,0,1]=4 36906 B12R0.251 CC(=O)C(C)COCCCCCO 7a_100000032740_100000746330 [0,3,0,0,0,0|0,0,1]=4 36907 B12R0.251 CC(C)C(=O)COCCCCCBr 34a_100000746331_100000753385 [0,3,0,0,0,0|0,0,1]=4 36908 B12R0.251 CC(C)C(=O)COCCCCCBr 7a_100000746331_100000753385 [0,3,0,0,0,0|0,0,1]=4 36909 B12R0.251 CC(C)C(=O)COCCCCCCl 34a_100000746330_100000753385 [0,3,0,0,0,0|0,0,1]=4 36910 B12R0.251 CC(C)C(=O)COCCCCCCl 7a_100000746330_100000753385 [0,3,0,0,0,0|0,0,1]=4 36911 B12R0.251 CC(C)C(=O)COCCCCCI 34a_200012148887_100000753385 [0,3,0,0,0,0|0,0,1]=4 36912 B12R0.251 CC(C)C(=O)COCCCCCI 7a_200012148887_100000753385 [0,3,0,0,0,0|0,0,1]=4 36913 B12R0.251 CC(C)C(=O)COCCCCCN 34a_100000762737_100000753385 [0,3,0,0,0,0|0,0,1]=4 36914 B12R0.251 CC(C)C(N)CCOCCCCF 34a_100161115045_100000729493 [0,3,0,0,0,0|0,0,0]=3 36915 B12R0.251 CC(C)C(N)CCOCCCCO 34a_100161115045_100011216708 [0,3,0,0,0,0|0,0,0]=3 36916 B12R0.251 CC(C)C(O)CNCCCCCF 2230a_100000759067_100000729378 [0,3,0,0,0,0|1,0,0]=4 36917 B12R0.251 CC(C)C(O)CNCCCCCF 34a_100000759067_100000729378 [0,3,0,0,0,0|1,0,0]=4 36918 B12R0.251 CC(C)C(O)CNCCCCCO 2230a_100000759067_100000746330 [0,3,0,0,0,0|1,0,0]=4 36919 B12R0.251 CC(C)C(O)CNCCCCCO 34a_100000759067_100000746330 [0,3,0,0,0,0|1,0,0]=4 36920 B12R0.251 CC(C)[C@@H](N)COCCCCCF 34a_100011830312_100000729378 [0,3,0,0,0,0|0,0,0]=3 36921 B12R0.251 CC(C)[C@@H](N)COCCCCCO 34a_100011830312_100000746330 [0,3,0,0,0,0|0,0,0]=3 36922 B12R0.251 CC(C)[C@@H](N)COCCOCCO 34a_100011830312_100000692535 [0,3,0,0,0,0|1,0,0]=4 36923 B12R0.251 CC/C=C\CCOC[C@H](N)C(C)C 34a_100011830312_100015370543 [0,3,0,0,0,0|0,0,1]=4 36924 B12R0.251 CC/C=C\COCCC(N)C(C)C 34a_100161115045_100103147603 [0,3,0,0,0,0|0,0,1]=4 36925 B12R0.251 CCC#CCOCCC(N)C(C)C 34a_100161115045_100009813939 [0,3,0,0,0,0|0,0,1]=4 36926 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210188_100000210206 [0,3,0,0,0,0|1,0,0]=4 36927 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210759 [0,3,0,0,0,0|1,0,0]=4 36928 B12R0.251 CCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210759 [0,3,0,0,0,0|1,0,0]=4 36929 B12R0.251 CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210759 [0,3,0,0,0,0|1,0,0]=4 36930 B12R0.251 CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210759 [0,3,0,0,0,0|1,0,0]=4 36931 B12R0.251 CCCCCCCCC(C)N(C)C 270004a_100102631434_100011216694 [0,3,0,0,0,0|1,0,0]=4 36932 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [0,3,0,0,0,0|1,0,0]=4 36933 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [0,3,0,0,0,0|1,0,0]=4 36934 B12R0.251 CCCCCCCCN(C)C(C)C 2230a_100000207567_100000210206 [0,3,0,0,0,0|1,0,0]=4 36935 B12R0.251 CCCCCCCCN(C)C(C)C 269982a_100000207567_100000210206 [0,3,0,0,0,0|1,0,0]=4 36936 B12R0.251 CCCCCCCCN(C)C(C)C 269982a_200000211004_100000210759 [0,3,0,0,0,0|1,0,0]=4 36937 B12R0.251 CCCCCCCNC(C)C(C)C 2230a_100000211541_100000210681 [0,3,0,0,0,0|1,0,0]=4 36938 B12R0.251 CCCCCCCOC(C)C(C)C 7a_100000748068_100000210614 [0,3,0,0,0,0|1,0,0]=4 36939 B12R0.251 CCCCCCNCC(O)C(C)C 2230a_100000759067_100000210314 [0,3,0,0,0,0|1,0,0]=4 36940 B12R0.251 CCCCCCNCC(O)C(C)C 34a_100000759067_100000210314 [0,3,0,0,0,0|1,0,0]=4 36941 B12R0.251 CCCCCCOCC(=O)C(C)C 34a_100000210259_100000753385 [0,3,0,0,0,0|0,0,1]=4 36942 B12R0.251 CCCCCCOCC(=O)C(C)C 7a_100000210259_100000753385 [0,3,0,0,0,0|0,0,1]=4 36943 B12R0.251 CCCCCCOCC(C)C(=O)C 34a_100000032740_100000210314 [0,3,0,0,0,0|0,0,1]=4 36944 B12R0.251 CCCCCCOCC(C)C(=O)C 7a_100000032740_100000210314 [0,3,0,0,0,0|0,0,1]=4 36945 B12R0.251 CCCCCCOC[C@H](N)C(C)C 34a_100011830312_100000210314 [0,3,0,0,0,0|0,0,0]=3 36946 B12R0.251 CCCCCOCCC(=O)N(C)C 34a_200000747469_100000718602 [0,3,0,0,0,0|0,0,1]=4 36947 B12R0.251 CCCCCOCCC(=O)N(C)C 7a_100000210253_100000737620 [0,3,0,0,0,0|0,0,1]=4 36948 B12R0.251 CCCCCOCCC(N)C(C)C 34a_100161115045_100000718602 [0,3,0,0,0,0|0,0,0]=3 36949 B12R0.251 CCCCOCCCC(=O)N(C)C 7a_100000210227_100000737642 [0,3,0,0,0,0|0,0,1]=4 36950 B12R0.251 CCCCOCCNC(C)C(C)C 2230a_100000211541_100000743108 [0,3,0,0,0,0|0,0,0]=3 36951 B12R0.251 CCCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000743108 [0,3,0,0,0,0|1,0,0]=4 36952 B12R0.251 CCCCOCCN[C@H](C)C(=O)N 2230a_100000119354_100000743108 [0,3,0,0,0,0|1,0,0]=4 36953 B12R0.251 CCCCOCCN[C@H](C)C(=O)N 34a_100000119354_100000743108 [0,3,0,0,0,0|1,0,0]=4 36954 B12R0.251 CCCCOCCOC(C)C(=O)C 34a_100000212229_100000743108 [0,3,0,0,0,0|0,0,1]=4 36955 B12R0.251 CCCCOCCOC(C)C(=O)C 7a_100000210238_100000179758 [0,3,0,0,0,0|0,0,1]=4 36956 B12R0.251 CCCCOCCOC(C)C(=O)N 34a_100000210238_100000702099 [0,3,0,0,0,0|1,0,0]=4 36957 B12R0.251 CCCCOCCOC(C)C(=O)N 7a_100000210238_100000702099 [0,3,0,0,0,0|1,0,0]=4 36958 B12R0.251 CCCCOCCOC(C)C(C)C 7a_100000748068_100000743108 [0,3,0,0,0,0|0,0,0]=3 36959 B12R0.251 CCCCOCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000743108 [0,3,0,0,0,0|1,0,0]=4 36960 B12R0.251 CCCCOCCO[C@H](C)C(=O)N 34a_100000731257_100000743108 [0,3,0,0,0,0|1,0,0]=4 36961 B12R0.251 CCCCOCCO[C@H](C)C(=O)N 7a_100000731257_100000743108 [0,3,0,0,0,0|1,0,0]=4 36962 B12R0.251 CCCCOCCSC(C)C(=O)C 62a_100000743108_100009814033 [0,3,0,0,0,0|0,0,1]=4 36963 B12R0.251 CCCCOCCSC(C)C(=O)C 62a_100009814033_100000743108 [0,3,0,0,0,0|0,0,1]=4 36964 B12R0.251 CCCCOCCSC(C)C(=O)N 62a_100000702099_100000743108 [0,3,0,0,0,0|1,0,0]=4 36965 B12R0.251 CCCCOCCSC(C)C(=O)N 62a_100000743108_100000702099 [0,3,0,0,0,0|1,0,0]=4 36966 B12R0.251 CCCCOCNCC(C)C(=O)O 269956a_100000749485_100011995733 [0,3,0,0,0,0|1,0,0]=4 36967 B12R0.251 CCCCOCNCC(O)C(C)C 2230a_100000759067_100011995733 [0,3,0,0,0,0|0,0,0]=3 36968 B12R0.251 CCCCOCNCC(O)C(C)C 34a_100000759067_100011995733 [0,3,0,0,0,0|0,0,0]=3 36969 B12R0.251 CCCCOCOCC(C)C(=O)C 34a_100000032740_100011995733 [0,3,0,0,0,0|0,0,1]=4 36970 B12R0.251 CCCCOCOCC(C)[N+](=O)[O-] 34a_100000039676_100011995733 [0,3,0,0,0,0|1,0,0]=4 36971 B12R0.251 CCCCOCOC[C@H](N)C(C)C 34a_100011830312_100011995733 [0,3,0,0,0,0|0,0,0]=3 36972 B12R0.251 CCCCOCSCC(=O)C(C)C 62a_100000753385_100011995733 [0,3,0,0,0,0|0,0,1]=4 36973 B12R0.251 CCCCOCSCC(=O)C(C)C 62a_100011995733_100000753385 [0,3,0,0,0,0|0,0,1]=4 36974 B12R0.251 CCCOCCNCC(O)C(C)C 2230a_100000759067_100011215938 [0,3,0,0,0,0|1,0,0]=4 36975 B12R0.251 CCCOCCNCC(O)C(C)C 34a_100000759067_100011215938 [0,3,0,0,0,0|1,0,0]=4 36976 B12R0.251 CCCOCCOCC(=O)C(C)C 34a_100000752267_100000753385 [0,3,0,0,0,0|0,0,1]=4 36977 B12R0.251 CCCOCCOCC(=O)C(C)C 7a_100000752267_100000753385 [0,3,0,0,0,0|0,0,1]=4 36978 B12R0.251 CCCOCCOCC(C)C(=O)C 34a_100000032740_100011215938 [0,3,0,0,0,0|0,0,1]=4 36979 B12R0.251 CCCOCCOCC(C)C(=O)C 7a_100000032740_100011215938 [0,3,0,0,0,0|0,0,1]=4 36980 B12R0.251 CCCOCCOC[C@H](N)C(C)C 34a_100011830312_100011215938 [0,3,0,0,0,0|0,0,0]=3 36981 B12R0.251 CCCSCCOCC(=O)C(C)C 34a_200000230433_100000753385 [0,3,0,0,0,0|0,0,1]=4 36982 B12R0.251 CCCSCCOCC(=O)C(C)C 7a_200000230433_100000753385 [0,3,0,0,0,0|0,0,1]=4 36983 B12R0.251 CCOCCCNCC(O)C(C)C 2230a_100000759067_100012232248 [0,3,0,0,0,0|1,0,0]=4 36984 B12R0.251 CCOCCCNCC(O)C(C)C 34a_100000759067_100012232248 [0,3,0,0,0,0|1,0,0]=4 36985 B12R0.251 CCOCCCOCC(=O)C(C)C 34a_100000757476_100000753385 [0,3,0,0,0,0|0,0,1]=4 36986 B12R0.251 CCOCCCOCC(=O)C(C)C 7a_100000757476_100000753385 [0,3,0,0,0,0|0,0,1]=4 36987 B12R0.251 CCOCCCOCC(C)C(=O)C 34a_100000032740_100012232248 [0,3,0,0,0,0|0,0,1]=4 36988 B12R0.251 CCOCCCOCC(C)C(=O)C 7a_100000032740_100012232248 [0,3,0,0,0,0|0,0,1]=4 36989 B12R0.251 CCOCCCOC[C@H](N)C(C)C 34a_100011830312_100012232248 [0,3,0,0,0,0|0,0,0]=3 36990 B12R0.251 CCOCCOCCC(=O)C(C)C 1458a_100000210198_100011211534 [0,3,0,0,0,0|0,0,1]=4 36991 B12R0.251 CCOCCOCCC(=O)C(C)F 1458a_100000062450_100011211534 [0,3,0,0,0,0|0,0,1]=4 36992 B12R0.251 CCOCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011211534 [0,3,0,0,0,0|0,0,1]=4 36993 B12R0.251 CCOCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011211534 [0,3,0,0,0,0|0,0,1]=4 36994 B12R0.251 CCOCCOCCC(N)C(C)C 34a_100161115045_100000210147 [0,3,0,0,0,0|0,0,0]=3 36995 B12R0.251 CCOCCOCCN(C)C(C)C 269982a_200000211004_100011211534 [0,3,0,0,0,0|1,0,0]=4 36996 B12R0.251 CCSCCCOCC(=O)C(C)C 34a_100011216438_100000753385 [0,3,0,0,0,0|0,0,1]=4 36997 B12R0.251 CCSCCCOCC(=O)C(C)C 7a_100011216438_100000753385 [0,3,0,0,0,0|0,0,1]=4 36998 B12R0.251 CCSCCOCCC(N)C(C)C 34a_100161115045_100000757381 [0,3,0,0,0,0|0,0,0]=3 36999 B12R0.251 COCCCCNCC(O)C(C)C 2230a_100000759067_100000730899 [0,3,0,0,0,0|1,0,0]=4 37000 B12R0.251 COCCCCNCC(O)C(C)C 34a_100000759067_100000755781 [0,3,0,0,0,0|1,0,0]=4 37001 B12R0.251 COCCCCOCC(=O)C(C)C 34a_100000740925_100000753385 [0,3,0,0,0,0|0,0,1]=4 37002 B12R0.251 COCCCCOCC(C)C(=O)C 34a_100000032740_100000755781 [0,3,0,0,0,0|0,0,1]=4 37003 B12R0.251 COCCCCOCC(C)C(=O)C 7a_100000032740_100000730899 [0,3,0,0,0,0|0,0,1]=4 37004 B12R0.251 COCCCCOC[C@H](N)C(C)C 34a_100011830312_100000755781 [0,3,0,0,0,0|0,0,0]=3 37005 B12R0.251 COCCCOCCC(N)C(C)C 34a_100161115045_100000740836 [0,3,0,0,0,0|0,0,0]=3 37006 B12R0.251 COCCOCCCC(=O)C(C)C 1458a_100000210198_100011216529 [0,3,0,0,0,0|1,0,0]=4 37007 B12R0.251 COCCOCCCC(=O)C(C)F 1458a_100000062450_100011216529 [0,3,0,0,0,0|1,0,0]=4 37008 B12R0.251 COCCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100011216529 [0,3,0,0,0,0|1,0,0]=4 37009 B12R0.251 COCCOCCCC(=O)[C@H](C)O 1458a_217856618621_100011216529 [0,3,0,0,0,0|1,0,0]=4 37010 B12R0.251 COCCOCCCN(C)C(C)C 269982a_200000211004_100011216529 [0,3,0,0,0,0|1,0,0]=4 37011 B12R0.251 COCCOCCNC(C)C(C)C 2230a_100000211541_100000695917 [0,3,0,0,0,0|1,0,0]=4 37012 B12R0.251 COCCOCCOC(C)C(C)C 7a_100000748068_100000695917 [0,3,0,0,0,0|1,0,0]=4 37013 B12R0.251 COCCOCNCC(O)C(C)C 2230a_100000759067_100000231047 [0,3,0,0,0,0|1,0,0]=4 37014 B12R0.251 CSCCCCOCC(=O)C(C)C 34a_100011217163_100000753385 [0,3,0,0,0,0|0,0,1]=4 37015 B12R0.251 CSCCCCOCC(=O)C(C)C 7a_100011217163_100000753385 [0,3,0,0,0,0|0,0,1]=4 37016 B12R0.312 C#CC(C)(C)NCCOCCCC 34a_100000054563_100000743108 [0,3,0,0,0,0|1,0,0]=4 37017 B12R0.312 C#CC(C)(C)OCCOCCCC 34a_100000189450_100000743108 [0,3,0,0,0,0|1,0,0]=4 37018 B12R0.312 C#CC(C)(C)OCCOCCCC 34a_100000210238_100000038118 [0,3,0,0,0,0|1,0,0]=4 37019 B12R0.312 C#CC(C)(C)OCCOCCCC 7a_100000189450_100000743108 [0,3,0,0,0,0|1,0,0]=4 37020 B12R0.312 C#CC(C)(C)SCCOCCCC 62a_100000038118_100000743108 [0,3,0,0,0,0|1,0,0]=4 37021 B12R0.312 C#CC(C)(C)SCCOCCCC 62a_100000743108_100000038118 [0,3,0,0,0,0|1,0,0]=4 37022 B12R0.312 C#CCCCCOCC(C)(C)CC 7a_100000765029_100010269958 [0,3,0,0,0,0|0,0,1]=4 37023 B12R0.312 C=CC(C)(C)OCCOCCCC 34a_100011215311_100000743108 [0,3,0,0,0,0|1,0,0]=4 37024 B12R0.312 C=CC(C)(C)OCCOCCCC 7a_100011215311_100000743108 [0,3,0,0,0,0|1,0,0]=4 37025 B12R0.312 C=CCCCCOCC(C)(C)CC 7a_100000765029_100011215482 [0,3,0,0,0,0|0,0,1]=4 37026 B12R0.312 CC(C)(C#N)CCCOCCCBr 34a_100011217188_100000759902 [0,3,0,0,0,0|1,0,0]=4 37027 B12R0.312 CC(C)(C#N)CCCOCCCCl 34a_100000230001_100000759902 [0,3,0,0,0,0|1,0,0]=4 37028 B12R0.312 CC(C)(C#N)CCCOCCCF 34a_100000759539_100000759902 [0,3,0,0,0,0|1,0,0]=4 37029 B12R0.312 CC(C)(C#N)CCCOCCCN 34a_100000182051_100000759902 [0,3,0,0,0,0|1,0,0]=4 37030 B12R0.312 CC(C)(CCl)COCCCCCF 7a_100011217199_100000729378 [0,3,0,0,0,0|1,0,0]=4 37031 B12R0.312 CC(C)(CCl)COCCCCCO 7a_100011217199_100000746330 [0,3,0,0,0,0|1,0,0]=4 37032 B12R0.312 CC(C)(CO)COCCCCCBr 34a_100000746331_100009813988 [0,3,0,0,0,0|1,0,0]=4 37033 B12R0.312 CC(C)(CO)COCCCCCBr 7a_100000746331_100009813988 [0,3,0,0,0,0|1,0,0]=4 37034 B12R0.312 CC(C)(CO)COCCCCCCl 34a_100000746330_100009813988 [0,3,0,0,0,0|1,0,0]=4 37035 B12R0.312 CC(C)(CO)COCCCCCCl 7a_100000746330_100009813988 [0,3,0,0,0,0|1,0,0]=4 37036 B12R0.312 CC(C)(CO)COCCCCCI 34a_200012148887_100009813988 [0,3,0,0,0,0|1,0,0]=4 37037 B12R0.312 CC(C)(CO)COCCCCCI 7a_200012148887_100009813988 [0,3,0,0,0,0|1,0,0]=4 37038 B12R0.312 CC(C)(CO)COCCCCCN 34a_100000762737_100009813988 [0,3,0,0,0,0|1,0,0]=4 37039 B12R0.312 CC/C=C\CCOCC(C)(C)CC 7a_100000765029_100015370543 [0,3,0,0,0,0|0,0,1]=4 37040 B12R0.312 CCC(C)(C)COCCCCC#N 7a_100000765029_100000211819 [0,3,0,0,0,0|0,0,1]=4 37041 B12R0.312 CCC(C)(C)COCCCCC=O 7a_100000765029_100000139335 [0,3,0,0,0,0|0,0,1]=4 37042 B12R0.312 CCC(C)(C)COCCCCCF 7a_100000765029_100000729378 [0,3,0,0,0,0|0,0,0]=3 37043 B12R0.312 CCC(C)(C)COCCCCCO 7a_100000765029_100000746330 [0,3,0,0,0,0|0,0,0]=3 37044 B12R0.312 CCC(C)(C)COCCCCOC 7a_100000765029_100000730899 [0,3,0,0,0,0|0,0,0]=3 37045 B12R0.312 CCC(C)(C)COCCOCCO 7a_100000765029_100011215305 [0,3,0,0,0,0|1,0,0]=4 37046 B12R0.312 CCC(C)(C)NCCOCCOC 2230a_100000211385_100000695917 [0,3,0,0,0,0|1,0,0]=4 37047 B12R0.312 CCC(C)(C)OCCOCCOC 7a_100000210230_100000695917 [0,3,0,0,0,0|1,0,0]=4 37048 B12R0.312 CCC(C)(C)OCCOCCOC 7a_100011215163_100000210677 [0,3,0,0,0,0|1,0,0]=4 37049 B12R0.312 CCC(C)(C)SCCOCCOC 62a_100000032637_100000695917 [0,3,0,0,0,0|1,0,0]=4 37050 B12R0.312 CCC(C)(C)SCCOCCOC 62a_100000695917_100000032637 [0,3,0,0,0,0|1,0,0]=4 37051 B12R0.312 CCCCCCCNC(C)(C)CC 2230a_100000211385_100000210681 [0,3,0,0,0,0|1,0,0]=4 37052 B12R0.312 CCCCCCCOC(C)(C)CC 7a_100000210230_100000210614 [0,3,0,0,0,0|1,0,0]=4 37053 B12R0.312 CCCCCCCOC(C)(C)CC 7a_100000210272_100000210677 [0,3,0,0,0,0|1,0,0]=4 37054 B12R0.312 CCCCCCCSC(C)(C)CC 62a_100000032637_100000210316 [0,3,0,0,0,0|1,0,0]=4 37055 B12R0.312 CCCCCCCSC(C)(C)CC 62a_100000210614_100000032637 [0,3,0,0,0,0|1,0,0]=4 37056 B12R0.312 CCCCCCOCC(C)(C)CC 7a_100000765029_100000210314 [0,3,0,0,0,0|0,0,0]=3 37057 B12R0.312 CCCCCCOCC(C)(C)CCl 7a_100011217199_100000210314 [0,3,0,0,0,0|1,0,0]=4 37058 B12R0.312 CCCCCCOCC(C)(C)CO 34a_100000210259_100009813988 [0,3,0,0,0,0|1,0,0]=4 37059 B12R0.312 CCCCCCOCC(C)(C)CO 7a_100000210259_100009813988 [0,3,0,0,0,0|1,0,0]=4 37060 B12R0.312 CCCCCCOCC(C)(C)OC 34a_100000210259_100000701081 [0,3,0,0,0,0|1,0,0]=4 37061 B12R0.312 CCCCCCOCC(F)(F)CN 34a_100000703232_100000210314 [0,3,0,0,0,0|1,0,0]=4 37062 B12R0.312 CCCCCNCCS(=O)(=O)CC 2230a_100000209983_100000756660 [0,3,0,0,0,0|1,0,0]=4 37063 B12R0.312 CCCCCNCCS(=O)(=O)CC 2230a_100000751051_100000210326 [0,3,0,0,0,0|1,0,0]=4 37064 B12R0.312 CCCCCNCCS(=O)(=O)CC 34a_100000751051_100000718602 [0,3,0,0,0,0|1,0,0]=4 37065 B12R0.312 CCCCCOCCC(C)(C)OC 7a_100000699976_100000210326 [0,3,0,0,0,0|0,0,0]=3 37066 B12R0.312 CCCCCOCCS(=O)(=O)CC 34a_100000210253_100000756660 [0,3,0,0,0,0|0,0,0]=3 37067 B12R0.312 CCCCCOCCS(=O)(=O)CC 34a_200011216379_100000718602 [0,3,0,0,0,0|0,0,0]=3 37068 B12R0.312 CCCCCOCCS(=O)(=O)CC 7a_100000210253_100000756660 [0,3,0,0,0,0|0,0,0]=3 37069 B12R0.312 CCCCCOCCS(=O)(=O)CC 7a_200011216379_100000210326 [0,3,0,0,0,0|0,0,0]=3 37070 B12R0.312 CCCCCSCCS(=O)(=O)CC 62a_100000210326_100000756660 [0,3,0,0,0,0|0,1,0]=4 37071 B12R0.312 CCCCCSCCS(=O)(=O)CC 62a_100000756660_100000210326 [0,3,0,0,0,0|0,1,0]=4 37072 B12R0.312 CCCCNCCCC(C)(C)C#N 2230a_100000102301_100000759902 [0,3,0,0,0,0|1,0,0]=4 37073 B12R0.312 CCCCNCCCC(C)(C)C#N 7a_106832991798_100000759902 [0,3,0,0,0,0|1,0,0]=4 37074 B12R0.312 CCCCNCCCC(C)(C)CO 2230a_100000039164_100000210211 [0,3,0,0,0,0|1,0,0]=4 37075 B12R0.312 CCCCOCCCC(C)(C)C#N 34a_100000210227_100000759902 [0,3,0,0,0,0|0,0,0]=3 37076 B12R0.312 CCCCOCCCC(C)(C)C#N 7a_100000210227_100000759902 [0,3,0,0,0,0|0,0,0]=3 37077 B12R0.312 CCCCOCCNC(C)(C)CC 2230a_100000211385_100000743108 [0,3,0,0,0,0|0,0,0]=3 37078 B12R0.312 CCCCOCCNC(C)(C)CO 2230a_100000210608_100000743108 [0,3,0,0,0,0|1,0,0]=4 37079 B12R0.312 CCCCOCCOC(C)(C)C#N 34a_100000210238_100011162410 [0,3,0,0,0,0|1,0,0]=4 37080 B12R0.312 CCCCOCCOC(C)(C)C#N 34a_200015195151_100000743108 [0,3,0,0,0,0|1,0,0]=4 37081 B12R0.312 CCCCOCCOC(C)(C)C#N 7a_100000210238_100011162410 [0,3,0,0,0,0|1,0,0]=4 37082 B12R0.312 CCCCOCCOC(C)(C)CC 7a_100000210230_100000743108 [0,3,0,0,0,0|0,0,0]=3 37083 B12R0.312 CCCCOCCOC(C)(C)CC 7a_100000210238_100000210677 [0,3,0,0,0,0|0,0,0]=3 37084 B12R0.312 CCCCOCCOC(C)(C)CCl 7a_100000764493_100000743108 [0,3,0,0,0,0|1,0,0]=4 37085 B12R0.312 CCCCOCCSC(C)(C)C#N 62a_100000743108_100011162410 [0,3,0,0,0,0|1,0,0]=4 37086 B12R0.312 CCCCOCCSC(C)(C)C#N 62a_100011162410_100000743108 [0,3,0,0,0,0|1,0,0]=4 37087 B12R0.312 CCCCOCCSC(C)(C)CC 62a_100000032637_100000743108 [0,3,0,0,0,0|0,0,0]=3 37088 B12R0.312 CCCCOCCSC(C)(C)CC 62a_100000743108_100000032637 [0,3,0,0,0,0|0,0,0]=3 37089 B12R0.312 CCCCOCCSC(F)(F)CO 62a_100000743108_100011217949 [0,3,0,0,0,0|1,0,0]=4 37090 B12R0.312 CCCCOCCSC(F)(F)CO 62a_100011217949_100000743108 [0,3,0,0,0,0|1,0,0]=4 37091 B12R0.312 CCCCOCNCC(C)(C)CO 2230a_100020635058_100011995733 [0,3,0,0,0,0|1,0,0]=4 37092 B12R0.312 CCCCOCNCC(C)(C)OC 2230a_100000763424_100011995733 [0,3,0,0,0,0|1,0,0]=4 37093 B12R0.312 CCCCOCOCC(F)(F)CN 34a_100000703232_100011995733 [0,3,0,0,0,0|1,0,0]=4 37094 B12R0.312 CCCCOCSCC(C)(C)CO 62a_100009813988_100011995733 [0,3,0,0,0,0|1,0,0]=4 37095 B12R0.312 CCCCOCSCC(C)(C)CO 62a_100011995733_100009813988 [0,3,0,0,0,0|1,0,0]=4 37096 B12R0.312 CCCCOCSCC(C)(C)OC 62a_100000701081_100011995733 [0,3,0,0,0,0|1,0,0]=4 37097 B12R0.312 CCCCOCSCC(C)(C)OC 62a_100011995733_100000701081 [0,3,0,0,0,0|1,0,0]=4 37098 B12R0.312 CCCCSCCCC(C)(C)C#N 62a_100000210211_100000759902 [0,3,0,0,0,0|0,1,0]=4 37099 B12R0.312 CCCCSCCCC(C)(C)C#N 62a_100000759902_100000210210 [0,3,0,0,0,0|0,1,0]=4 37100 B12R0.312 CCCCSCCOC(C)(C)CC 7a_200000230436_100000210677 [0,3,0,0,0,0|0,1,0]=4 37101 B12R0.312 CCCOCCOCC(C)(C)CC 7a_100000765029_100011215938 [0,3,0,0,0,0|0,0,0]=3 37102 B12R0.312 CCCOCCOCC(C)(C)CCl 7a_100011217199_100011215938 [0,3,0,0,0,0|1,0,0]=4 37103 B12R0.312 CCCOCCOCC(C)(C)CO 34a_100000752267_100009813988 [0,3,0,0,0,0|1,0,0]=4 37104 B12R0.312 CCCOCCOCC(C)(C)CO 7a_100000752267_100009813988 [0,3,0,0,0,0|1,0,0]=4 37105 B12R0.312 CCCOCCOCC(C)(C)OC 34a_100000752267_100000701081 [0,3,0,0,0,0|1,0,0]=4 37106 B12R0.312 CCCOCCOCC(F)(F)CN 34a_100000703232_100011215938 [0,3,0,0,0,0|1,0,0]=4 37107 B12R0.312 CCCSCCOCC(C)(C)CO 34a_200000230433_100009813988 [0,3,0,0,0,0|1,0,0]=4 37108 B12R0.312 CCCSCCOCC(C)(C)CO 7a_200000230433_100009813988 [0,3,0,0,0,0|1,0,0]=4 37109 B12R0.312 CCCSCCOCC(C)(C)OC 34a_200000230433_100000701081 [0,3,0,0,0,0|1,0,0]=4 37110 B12R0.312 CCOCCCOCC(C)(C)CC 7a_100000765029_100012232248 [0,3,0,0,0,0|0,0,0]=3 37111 B12R0.312 CCOCCCOCC(C)(C)CCl 7a_100011217199_100012232248 [0,3,0,0,0,0|1,0,0]=4 37112 B12R0.312 CCOCCCOCC(C)(C)CO 34a_100000757476_100009813988 [0,3,0,0,0,0|1,0,0]=4 37113 B12R0.312 CCOCCCOCC(C)(C)CO 7a_100000757476_100009813988 [0,3,0,0,0,0|1,0,0]=4 37114 B12R0.312 CCOCCCOCC(C)(C)OC 34a_100000757476_100000701081 [0,3,0,0,0,0|1,0,0]=4 37115 B12R0.312 CCOCCCOCC(F)(F)CN 34a_100000703232_100012232248 [0,3,0,0,0,0|1,0,0]=4 37116 B12R0.312 CCOCCOCCC(C)(C)OC 7a_100000699976_100011215890 [0,3,0,0,0,0|1,0,0]=4 37117 B12R0.312 CCOCCOCCS(=O)(=O)CC 34a_100000210136_100000756660 [0,3,0,0,0,0|1,0,0]=4 37118 B12R0.312 CCOCCOCCS(=O)(=O)CC 34a_200011216379_100000210147 [0,3,0,0,0,0|1,0,0]=4 37119 B12R0.312 CCOCCOCCS(=O)(=O)CC 7a_100000210136_100000756660 [0,3,0,0,0,0|1,0,0]=4 37120 B12R0.312 CCOCCOCCS(=O)(=O)CC 7a_200011216379_100011215890 [0,3,0,0,0,0|1,0,0]=4 37121 B12R0.312 CCS(=O)(=O)CCOCCCCBr 34a_100011216708_100000756660 [0,3,0,0,0,0|1,0,0]=4 37122 B12R0.312 CCS(=O)(=O)CCOCCCCCl 34a_100000210776_100000756660 [0,3,0,0,0,0|1,0,0]=4 37123 B12R0.312 CCS(=O)(=O)CCOCCCCCl 7a_100000210776_100000756660 [0,3,0,0,0,0|1,0,0]=4 37124 B12R0.312 CCS(=O)(=O)CCOCCCCF 34a_100011995726_100000756660 [0,3,0,0,0,0|1,0,0]=4 37125 B12R0.312 CCS(=O)(=O)CCOCCCCF 34a_200011216379_100000729493 [0,3,0,0,0,0|1,0,0]=4 37126 B12R0.312 CCS(=O)(=O)CCOCCCCF 7a_100011995726_100000756660 [0,3,0,0,0,0|1,0,0]=4 37127 B12R0.312 CCS(=O)(=O)CCOCCCCF 7a_200011216379_100000729493 [0,3,0,0,0,0|1,0,0]=4 37128 B12R0.312 CCS(=O)(=O)CCOCCCCI 34a_200012148704_100000756660 [0,3,0,0,0,0|1,0,0]=4 37129 B12R0.312 CCS(=O)(=O)CCOCCCCN 34a_100000750430_100000756660 [0,3,0,0,0,0|1,0,0]=4 37130 B12R0.312 CCS(=O)(=O)CCOCCCCO 34a_200011216379_100011216708 [0,3,0,0,0,0|1,0,0]=4 37131 B12R0.312 CCS(=O)(=O)CCOCCCCO 7a_200011216379_100000210776 [0,3,0,0,0,0|1,0,0]=4 37132 B12R0.312 CCS(=O)(=O)CCOCCCNC 34a_100000213112_100000756660 [0,3,0,0,0,0|1,0,0]=4 37133 B12R0.312 CCS(=O)(=O)CCOCCCOC 34a_100000740835_100000756660 [0,3,0,0,0,0|1,0,0]=4 37134 B12R0.312 CCS(=O)(=O)CCOCCCOC 34a_200011216379_100000740836 [0,3,0,0,0,0|1,0,0]=4 37135 B12R0.312 CCS(=O)(=O)CCOCCCOC 7a_200011216379_100000740836 [0,3,0,0,0,0|1,0,0]=4 37136 B12R0.312 CCS(=O)(=O)CCOCCCSC 34a_100000690336_100000756660 [0,3,0,0,0,0|1,0,0]=4 37137 B12R0.312 CCS(=O)(=O)CCOCCCSC 7a_100000690336_100000756660 [0,3,0,0,0,0|1,0,0]=4 37138 B12R0.312 CCSCCCOCC(C)(C)CO 34a_100011216438_100009813988 [0,3,0,0,0,0|1,0,0]=4 37139 B12R0.312 CCSCCCOCC(C)(C)CO 7a_100011216438_100009813988 [0,3,0,0,0,0|1,0,0]=4 37140 B12R0.312 CCSCCCOCC(C)(C)OC 34a_100011216438_100000701081 [0,3,0,0,0,0|1,0,0]=4 37141 B12R0.312 CCSCCOCCC(C)(C)OC 7a_100000699976_100000757381 [0,3,0,0,0,0|1,0,0]=4 37142 B12R0.312 CCSCCOCCS(=O)(=O)CC 34a_100000212035_100000756660 [0,3,0,0,0,0|1,0,0]=4 37143 B12R0.312 CCSCCOCCS(=O)(=O)CC 34a_200011216379_100000757381 [0,3,0,0,0,0|1,0,0]=4 37144 B12R0.312 CCSCCOCCS(=O)(=O)CC 7a_100000212035_100000756660 [0,3,0,0,0,0|1,0,0]=4 37145 B12R0.312 CCSCCOCCS(=O)(=O)CC 7a_200011216379_100000757381 [0,3,0,0,0,0|1,0,0]=4 37146 B12R0.312 COC(C)(C)CCOCCCCF 7a_100000699976_100000729493 [0,3,0,0,0,0|1,0,0]=4 37147 B12R0.312 COC(C)(C)CCOCCCCO 7a_100000699976_100000210776 [0,3,0,0,0,0|1,0,0]=4 37148 B12R0.312 COC(C)(C)COCCCCCBr 34a_100000746331_100000701081 [0,3,0,0,0,0|1,0,0]=4 37149 B12R0.312 COC(C)(C)COCCCCCCl 34a_100000746330_100000701081 [0,3,0,0,0,0|1,0,0]=4 37150 B12R0.312 COC(C)(C)COCCCCCI 34a_200012148887_100000701081 [0,3,0,0,0,0|1,0,0]=4 37151 B12R0.312 COC(C)(C)COCCCCCN 34a_100000762737_100000701081 [0,3,0,0,0,0|1,0,0]=4 37152 B12R0.312 COC(C)(C)COCCCCSC 34a_100011217163_100000701081 [0,3,0,0,0,0|1,0,0]=4 37153 B12R0.312 COCCCCOCC(C)(C)CCl 7a_100011217199_100000730899 [0,3,0,0,0,0|1,0,0]=4 37154 B12R0.312 COCCCCOCC(C)(C)CO 34a_100000740925_100009813988 [0,3,0,0,0,0|1,0,0]=4 37155 B12R0.312 COCCCCOCC(C)(C)OC 34a_100000740925_100000701081 [0,3,0,0,0,0|1,0,0]=4 37156 B12R0.312 COCCCCOCC(F)(F)CN 34a_100000703232_100000755781 [0,3,0,0,0,0|1,0,0]=4 37157 B12R0.312 COCCCOCCC(C)(C)OC 7a_100000699976_100000740836 [0,3,0,0,0,0|1,0,0]=4 37158 B12R0.312 COCCOCCCC(C)(C)C#N 34a_100000210237_100000759902 [0,3,0,0,0,0|1,0,0]=4 37159 B12R0.312 CSCCCCOCC(C)(C)CO 34a_100011217163_100009813988 [0,3,0,0,0,0|1,0,0]=4 37160 B12R0.312 CSCCCCOCC(C)(C)CO 7a_100011217163_100009813988 [0,3,0,0,0,0|1,0,0]=4 37161 B12R0.312 CSCCOCCCC(C)(C)C#N 34a_100000230434_100000759902 [0,3,0,0,0,0|1,0,0]=4 37162 B12R0.312 CSCCOCCCC(C)(C)C#N 7a_100000230434_100000759902 [0,3,0,0,0,0|1,0,0]=4 37163 B12R0.312 NCC(F)(F)COCCCCCF 34a_100000703232_100000729378 [0,3,0,0,0,0|1,0,0]=4 37164 B12R0.312 NCC(F)(F)COCCCCCO 34a_100000703232_100000746330 [0,3,0,0,0,0|1,0,0]=4 37165 B12R0.48 CCCCC(C)NCC(O)C(C)C 2230a_100000759067_200011215066 [0,3,0,0,0,0|1,0,0]=4 37166 B12R0.48 CCCCC(C)NCC(O)C(C)C 270004a_100000759067_100000210087 [0,3,0,0,0,0|1,0,0]=4 37167 B12R0.48 CCCCC(C)NCC(O)C(C)C 34a_100000759067_200011215066 [0,3,0,0,0,0|1,0,0]=4 37168 B12R0.48 CCCCC(C)OCC(=O)C(C)C 34a_100000687866_100000753385 [0,3,0,0,0,0|0,0,1]=4 37169 B12R0.48 CCCCC(C)OCC(=O)C(C)C 7a_100000687866_100000753385 [0,3,0,0,0,0|0,0,1]=4 37170 B12R0.48 CCCCC(C)OCC(C)C(=O)C 34a_100000032740_200011215066 [0,3,0,0,0,0|0,0,1]=4 37171 B12R0.48 CCCCC(C)OCC(C)C(=O)C 7a_100000032740_200011215066 [0,3,0,0,0,0|0,0,1]=4 37172 B12R0.48 CCCCC(C)OC[C@H](N)C(C)C 34a_100011830312_200011215066 [0,3,0,0,0,0|0,0,0]=3 37173 B12R0.58 CCCCCOCC(F)(F)C(F)F 34a_100000210253_100000729011 [0,3,0,0,0,0|1,0,0]=4 37174 B12R0.58 CCCCCOCC(F)(F)C(F)F 34a_100000210902_100000718602 [0,3,0,0,0,0|1,0,0]=4 37175 B12R0.58 CCCCOCCC(F)(F)C(F)F 34a_100000210227_100009813682 [0,3,0,0,0,0|1,0,0]=4 37176 B12R0.58 CCCCOCCC(F)(F)C(F)F 7a_100000210227_100009813682 [0,3,0,0,0,0|1,0,0]=4 37177 B12R0.58 CCCCOCNC(C)(C)C(C)C 2230a_200160471154_100011995733 [0,3,0,0,0,0|1,0,0]=4 37178 B12R0.186 CC(C)C(N)CCOCC(O)CO 34a_100161115045_100011219619 [0,3,0,0,0,0|1,0,0]=4 37179 B12R0.186 CC(C)C(N)CCOC[C@@H](C)CO 34a_100161115045_100000059175 [0,3,0,0,0,0|1,0,0]=4 37180 B12R0.186 CC(C)C(N)CCOC[C@@H](O)CF 34a_100161115045_100015614560 [0,3,0,0,0,0|1,0,0]=4 37181 B12R0.186 CC(C)C(N)CCOC[C@@H](O)CO 34a_100161115045_100009815848 [0,3,0,0,0,0|1,0,0]=4 37182 B12R0.186 CCC(C)CCOCC(=O)C(C)C 7a_100011215188_100000753385 [0,3,0,0,0,0|0,0,1]=4 37183 B12R0.186 CCC(C)COCCC(N)C(C)C 34a_100161115045_100000748023 [0,3,0,0,0,0|0,0,0]=3 37184 B12R0.186 CCC(O)COCCC(N)C(C)C 34a_100161115045_100011218378 [0,3,0,0,0,0|0,0,0]=3 37185 B12R0.186 CC[C@H](C)COCCC(N)C(C)C 34a_100161115045_100009816398 [0,3,0,0,0,0|0,0,0]=3 37186 B12R0.201 C#CC(OCOCCCC)C(C)C 34a_100011217124_100011995733 [0,3,0,0,0,0|1,0,0]=4 37187 B12R0.201 C=CC(OCOCCCC)C(C)C 34a_100000732651_100011995733 [0,3,0,0,0,0|1,0,0]=4 37188 B12R0.201 CC(C)C(CN)COCCCCF 34a_100000692819_100000729493 [0,3,0,0,0,0|1,0,0]=4 37189 B12R0.201 CC(C)C(CN)COCCCCO 34a_100000692819_100011216708 [0,3,0,0,0,0|1,0,0]=4 37190 B12R0.201 CCC(COCCCCF)C(C)C 34a_100011995916_100000729493 [0,3,0,0,0,0|1,0,0]=4 37191 B12R0.201 CCC(COCCCCF)C(C)C 7a_100011995916_100000729493 [0,3,0,0,0,0|1,0,0]=4 37192 B12R0.201 CCC(COCCCCO)C(C)C 34a_100011995916_100011216708 [0,3,0,0,0,0|1,0,0]=4 37193 B12R0.201 CCC(COCCCCO)C(C)C 7a_100011995916_100000210776 [0,3,0,0,0,0|1,0,0]=4 37194 B12R0.201 CCC(COCCCOC)C(C)C 34a_100011995916_100000740836 [0,3,0,0,0,0|1,0,0]=4 37195 B12R0.201 CCC(COCCCOC)C(C)C 7a_100011995916_100000740836 [0,3,0,0,0,0|1,0,0]=4 37196 B12R0.201 CCCCCCCC(CC)N(C)C 270004a_100102631434_200011217162 [0,3,0,0,0,0|1,0,0]=4 37197 B12R0.201 CCCCCNCC(CC)C(C)C 269862a_100000209983_100011214906 [0,3,0,0,0,0|1,0,0]=4 37198 B12R0.201 CCCCCNCC(CO)C(C)C 34a_100000692819_100000718602 [0,3,0,0,0,0|1,0,0]=4 37199 B12R0.201 CCCCCOCC(CC)C(C)C 34a_100011995916_100000718602 [0,3,0,0,0,0|0,0,0]=3 37200 B12R0.201 CCCCCOCC(CC)C(C)C 7a_100011995916_100000210326 [0,3,0,0,0,0|0,0,0]=3 37201 B12R0.201 CCCCCOCC(CN)C(C)C 34a_100000692819_100000718602 [0,3,0,0,0,0|0,0,0]=3 37202 B12R0.201 CCCCOCCN(CC)C(C)C 2230a_100000223864_100000743108 [0,3,0,0,0,0|1,0,0]=4 37203 B12R0.201 CCCCOCCN(CC)C(C)C 269982a_100000223864_100000743108 [0,3,0,0,0,0|1,0,0]=4 37204 B12R0.201 CCCCOCNC(CC)C(=O)N 2230a_100000733705_100011995733 [0,3,0,0,0,0|1,0,0]=4 37205 B12R0.201 CCCCOCNC(CC)C(=O)N 34a_100000733705_100011995733 [0,3,0,0,0,0|1,0,0]=4 37206 B12R0.201 CCCCOCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100011995733 [0,3,0,0,0,0|1,0,0]=4 37207 B12R0.201 CCCCOCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100011995733 [0,3,0,0,0,0|1,0,0]=4 37208 B12R0.201 CCCCOCN[C@@H](CO)C(C)C 2230a_100011830312_100011995733 [0,3,0,0,0,0|1,0,0]=4 37209 B12R0.201 CCCCOCN[C@@H](CO)C(C)C 34a_100011830312_100011995733 [0,3,0,0,0,0|1,0,0]=4 37210 B12R0.201 CCCCOCN[C@H](CC)C(=O)O 269956a_100000747097_100011995733 [0,3,0,0,0,0|1,0,0]=4 37211 B12R0.201 CCCCOCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011995733 [0,3,0,0,0,0|1,0,0]=4 37212 B12R0.201 CCCCOCN[C@H](CO)[C@@H](C)O 34a_100015196842_100011995733 [0,3,0,0,0,0|1,0,0]=4 37213 B12R0.201 CCCCOCOC(C#N)C(C)C 34a_100000748901_100011995733 [0,3,0,0,0,0|1,0,0]=4 37214 B12R0.201 CCCCOCOC(CC)C(C)C 34a_100011218073_100011995733 [0,3,0,0,0,0|1,0,0]=4 37215 B12R0.201 CCCCOCOC(CN)C(C)C 34a_100000759067_100011995733 [0,3,0,0,0,0|1,0,0]=4 37216 B12R0.201 CCCCOCSC(CC)C(=O)N 62a_100000750255_100011995733 [0,3,0,0,0,0|1,0,0]=4 37217 B12R0.201 CCCCOCSC(CC)C(=O)N 62a_100011995733_100000750255 [0,3,0,0,0,0|1,0,0]=4 37218 B12R0.201 CCOCCOCC(CC)C(C)C 34a_100011995916_100000210147 [0,3,0,0,0,0|1,0,0]=4 37219 B12R0.201 CCOCCOCC(CC)C(C)C 7a_100011995916_100011215890 [0,3,0,0,0,0|1,0,0]=4 37220 B12R0.201 CCOCCOCC(CN)C(C)C 34a_100000692819_100000210147 [0,3,0,0,0,0|1,0,0]=4 37221 B12R0.201 CCSCCOCC(CC)C(C)C 34a_100011995916_100000757381 [0,3,0,0,0,0|1,0,0]=4 37222 B12R0.201 CCSCCOCC(CC)C(C)C 7a_100011995916_100000757381 [0,3,0,0,0,0|1,0,0]=4 37223 B12R0.201 CCSCCOCC(CN)C(C)C 34a_100000692819_100000757381 [0,3,0,0,0,0|1,0,0]=4 37224 B12R0.201 COCCCOCC(CN)C(C)C 34a_100000692819_100000740836 [0,3,0,0,0,0|1,0,0]=4 37225 B12R0.237 CCCCCOCC(=O)C(C)(C)C 34a_100000210253_100000229897 [0,3,0,0,0,0|0,0,1]=4 37226 B12R0.237 CCCCCOCC(=O)C(C)(C)C 34a_200011592769_100000718602 [0,3,0,0,0,0|0,0,1]=4 37227 B12R0.237 CCCCCOCC(=O)C(C)(C)C 7a_100000210253_100000210923 [0,3,0,0,0,0|0,0,1]=4 37228 B12R0.237 CCCCCOCC(=O)C(C)(C)C 7a_200011592769_100000210326 [0,3,0,0,0,0|0,0,1]=4 37229 B12R0.237 CCCCCOCC(Br)C(F)(F)F 34a_100009817051_100000718602 [0,3,0,0,0,0|1,0,0]=4 37230 B12R0.237 CCCCCOCC(C)C(F)(F)F 34a_100010286394_100000718602 [0,3,0,0,0,0|1,0,0]=4 37231 B12R0.237 CCCCCOCC(O)C(F)(F)F 34a_100000210253_100000185343 [0,3,0,0,0,0|1,0,0]=4 37232 B12R0.237 CCCCCOCC(O)C(F)(F)F 7a_100000210253_100000185343 [0,3,0,0,0,0|1,0,0]=4 37233 B12R0.237 CCCCOCCC(=O)C(C)(C)C 1458a_106744555173_100000743108 [0,3,0,0,0,0|0,0,1]=4 37234 B12R0.237 CCCCOCCC(=O)C(C)(C)F 1458a_100000765255_100000743108 [0,3,0,0,0,0|0,0,1]=4 37235 B12R0.237 CCCCOCCC(=O)C(C)(C)O 1458a_100000242741_100000743108 [0,3,0,0,0,0|0,0,1]=4 37236 B12R0.237 CCCCOCCN(C)C(C)(C)C 269982a_100011215553_100000743108 [0,3,0,0,0,0|1,0,0]=4 37237 B12R0.237 CCCCOCN[C@@H](C)C(C)(C)O 2230a_100025708725_100011995733 [0,3,0,0,0,0|1,0,0]=4 37238 B12R0.237 CCCCOCN[C@H](C)C(C)(C)C 2230a_100025703359_100011995733 [0,3,0,0,0,0|1,0,0]=4 37239 B12R0.98 CCCCC(=O)C(C)CCC(C)C 1458a_100000210183_100011261404 [0,3,0,0,0,0|1,0,0]=4 37240 B12R0.98 CCCCC(C)C(=O)CCC(C)C 1458a_100000181311_200011215066 [0,3,0,0,0,0|1,0,0]=4 37241 B12R0.98 CCCCC(C)C(=O)CCC(C)C 1458a_100000725509_100000210312 [0,3,0,0,0,0|1,0,0]=4 37242 B12R0.98 CCCCC(C)C(=O)CCC(C)O 1458a_100000725509_100012276601 [0,3,0,0,0,0|1,0,0]=4 37243 B12R0.98 CCCCC(C)N(C)CCC(C)C 2230a_100000742789_200011215066 [0,3,0,0,0,0|1,0,0]=4 37244 B12R0.98 CCCCC(C)N(C)CCC(C)C 269982a_100000742789_200011215066 [0,3,0,0,0,0|1,0,0]=4 37245 B12R0.98 CCCCC(C)N(C)CCC(C)C 270004a_100000742789_100000210087 [0,3,0,0,0,0|1,0,0]=4 37246 B12R0.98 CCCCC(O)C(=O)CCC(C)C 1458a_100000720857_100000210312 [0,3,0,0,0,0|1,0,0]=4 37247 B12R0.98 CCCCC(O)C(=O)CCC(C)O 1458a_100000720857_100012276601 [0,3,0,0,0,0|1,0,0]=4 37248 B12R0.98 CCCCN(C)C(C)CCC(C)C 2230a_100000207549_100011261404 [0,3,0,0,0,0|1,0,0]=4 37249 B12R0.98 CCCCN(C)C(C)CCC(C)C 269982a_100000207549_100011261404 [0,3,0,0,0,0|1,0,0]=4 37250 B12R0.98 CCCCN(C)C(C)CCC(C)C 270004a_100000207549_100000210476 [0,3,0,0,0,0|1,0,0]=4 37251 B12R0.124 CCC(CCC(C)C)OCCCF 34a_100011216567_100011934791 [0,3,0,0,0,0|1,0,0]=4 37252 B12R0.124 CCC(CCC(C)C)OCCCF 7a_100011216567_100011934791 [0,3,0,0,0,0|1,0,0]=4 37253 B12R0.124 CCC(CCC(C)C)OCCCO 34a_100011216567_100000230001 [0,3,0,0,0,0|1,0,0]=4 37254 B12R0.124 CCC(CCC(C)C)OCCCO 7a_100011216567_100011215043 [0,3,0,0,0,0|1,0,0]=4 37255 B12R0.124 CCC(CCC(C)C)OCCOC 34a_100011216567_100011201679 [0,3,0,0,0,0|1,0,0]=4 37256 B12R0.124 CCC(CCC(C)C)OCCOC 7a_100011216567_100000233755 [0,3,0,0,0,0|1,0,0]=4 37257 B12R0.124 CCC(CCC(C)C)OCCSC 34a_100011216567_100000212216 [0,3,0,0,0,0|1,0,0]=4 37258 B12R0.124 CCC(CCC(C)C)OCCSC 7a_100011216567_100000212216 [0,3,0,0,0,0|1,0,0]=4 37259 B12R0.124 CCCCCN(CC)CCC(C)C 2230a_100000207693_100000210326 [0,3,0,0,0,0|1,0,0]=4 37260 B12R0.124 CCCCCN(CC)CCC(C)C 269982a_100000207693_100000210215 [0,3,0,0,0,0|1,0,0]=4 37261 B12R0.124 CCCCOC(CC)CCC(C)C 34a_100011216567_100000210210 [0,3,0,0,0,0|0,0,0]=3 37262 B12R0.124 CCCCOC(CC)CCC(C)C 7a_100011216567_100000210211 [0,3,0,0,0,0|0,0,0]=3 37263 B12R0.189 CC(C)CCC(C)OCC(C)CN 34a_100000744482_100011261404 [0,3,0,0,0,0|1,0,0]=4 37264 B12R0.189 CC(C)CCC(C)OCC(Cl)CCl 34a_100000033668_100011261404 [0,3,0,0,0,0|1,0,0]=4 37265 B12R0.189 CC(C)CCC(C)OCC(O)CO 34a_100011215350_100011219619 [0,3,0,0,0,0|1,0,0]=4 37266 B12R0.189 CC(C)CCC(C)OCC(O)CO 7a_100011215350_100011219619 [0,3,0,0,0,0|1,0,0]=4 37267 B12R0.189 CC(C)CCC(C)OC[C@@H](C)CO 34a_100011215350_100000059175 [0,3,0,0,0,0|1,0,0]=4 37268 B12R0.189 CC(C)CCC(C)OC[C@@H](C)CO 7a_100011215350_100000059175 [0,3,0,0,0,0|1,0,0]=4 37269 B12R0.189 CC(C)CCC(C)OC[C@@H](O)CF 34a_100011215350_100015614560 [0,3,0,0,0,0|1,0,0]=4 37270 B12R0.189 CC(C)CCC(C)OC[C@@H](O)CF 7a_100011215350_100015614560 [0,3,0,0,0,0|1,0,0]=4 37271 B12R0.189 CC(C)CCC(C)OC[C@@H](O)CO 34a_100011215350_100009815848 [0,3,0,0,0,0|1,0,0]=4 37272 B12R0.189 CC(C)CCC(C)OC[C@@H](O)CO 7a_100011215350_100009815848 [0,3,0,0,0,0|1,0,0]=4 37273 B12R0.189 CC(C)CCC(C)OC[C@H](F)CN 34a_100015665980_100011261404 [0,3,0,0,0,0|1,0,0]=4 37274 B12R0.189 CCC(=O)COC(C)CCC(C)C 34a_100000725409_100011261404 [0,3,0,0,0,0|0,0,1]=4 37275 B12R0.189 CCC(=O)COC(C)CCC(C)C 7a_100011215350_100000747405 [0,3,0,0,0,0|0,0,1]=4 37276 B12R0.189 CCC(C)CCC(=O)CCC(C)C 1458a_100000701222_100000210312 [0,3,0,0,0,0|1,0,0]=4 37277 B12R0.189 CCC(C)CCC(=O)CCC(C)O 1458a_100000701222_100012276601 [0,3,0,0,0,0|1,0,0]=4 37278 B12R0.189 CCC(C)CNC(C)CCC(C)C 2230a_100020588543_100011261404 [0,3,0,0,0,0|1,0,0]=4 37279 B12R0.189 CCC(C)CNC(C)CCC(C)C 2230a_100138410893_100000748023 [0,3,0,0,0,0|1,0,0]=4 37280 B12R0.189 CCC(C)CNC(C)CCC(C)C 270004a_100020588543_100000210476 [0,3,0,0,0,0|1,0,0]=4 37281 B12R0.189 CCC(C)CNC(C)CCC(C)C 270004a_100138410893_100000243153 [0,3,0,0,0,0|1,0,0]=4 37282 B12R0.189 CCC(C)COC(C)CCC(C)C 34a_100011215350_100000748023 [0,3,0,0,0,0|0,0,0]=3 37283 B12R0.189 CCC(C)COC(C)CCC(C)C 7a_100011215350_100000748023 [0,3,0,0,0,0|0,0,0]=3 37284 B12R0.189 CCC(C)CSC(C)CCC(C)C 62a_100000748023_100011261404 [0,3,0,0,0,0|0,1,0]=4 37285 B12R0.189 CCC(C)CSC(C)CCC(C)C 62a_100011261404_100000748023 [0,3,0,0,0,0|0,1,0]=4 37286 B12R0.189 CCC(O)CNC(C)CCC(C)C 2230a_100011218483_100011261404 [0,3,0,0,0,0|1,0,0]=4 37287 B12R0.189 CCC(O)CNC(C)CCC(C)C 2230a_100138410893_100011218378 [0,3,0,0,0,0|1,0,0]=4 37288 B12R0.189 CCC(O)CNC(C)CCC(C)C 270004a_100011218483_100000210476 [0,3,0,0,0,0|1,0,0]=4 37289 B12R0.189 CCC(O)COC(C)CCC(C)C 34a_100011215350_100011218378 [0,3,0,0,0,0|0,0,0]=3 37290 B12R0.189 CCC(O)COC(C)CCC(C)C 7a_100011215350_100011218378 [0,3,0,0,0,0|0,0,0]=3 37291 B12R0.189 CCC(O)CSC(C)CCC(C)C 62a_100011218378_100011261404 [0,3,0,0,0,0|0,1,0]=4 37292 B12R0.189 CCC(O)CSC(C)CCC(C)C 62a_100011261404_100011218378 [0,3,0,0,0,0|0,1,0]=4 37293 B12R0.189 CC[C@H](C)CNC(C)CCC(C)C 2230a_100138410893_100009816398 [0,3,0,0,0,0|1,0,0]=4 37294 B12R0.189 CC[C@H](C)COC(C)CCC(C)C 34a_100011215350_100009816398 [0,3,0,0,0,0|0,0,0]=3 37295 B12R0.189 CC[C@H](C)COC(C)CCC(C)C 7a_100011215350_100009816398 [0,3,0,0,0,0|0,0,0]=3 37296 B12R0.189 CC[C@H](C)CSC(C)CCC(C)C 62a_100009816398_100011261404 [0,3,0,0,0,0|0,1,0]=4 37297 B12R0.189 CC[C@H](C)CSC(C)CCC(C)C 62a_100011261404_100009816398 [0,3,0,0,0,0|0,1,0]=4 37298 B12R0.189 COC(C)COC(C)CCC(C)C 34a_100000690652_100011261404 [0,3,0,0,0,0|1,0,0]=4 37299 B12R0.645 CC(C)CCC(C)(C)OCCCBr 34a_100011217188_200000037585 [0,3,0,0,0,0|1,0,0]=4 37300 B12R0.645 CC(C)CCC(C)(C)OCCCCl 34a_100000230001_200000037585 [0,3,0,0,0,0|1,0,0]=4 37301 B12R0.645 CC(C)CCC(C)(C)OCCCF 34a_100000759539_200000037585 [0,3,0,0,0,0|1,0,0]=4 37302 B12R0.645 CC(C)CCC(C)(C)OCCCF 7a_200011218267_100011934791 [0,3,0,0,0,0|1,0,0]=4 37303 B12R0.645 CC(C)CCC(C)(C)OCCCN 34a_100000182051_200000037585 [0,3,0,0,0,0|1,0,0]=4 37304 B12R0.645 CC(C)CCC(C)(C)OCCCO 7a_200011218267_100011215043 [0,3,0,0,0,0|1,0,0]=4 37305 B12R0.645 CCCCOC(C)(C)CCC(C)C 34a_100000210227_200000037585 [0,3,0,0,0,0|0,0,0]=3 37306 B12R0.645 CCCCOC(C)(C)CCC(C)C 7a_200011218267_100000210211 [0,3,0,0,0,0|0,0,0]=3 37307 B12R0.645 CCCCSC(C)(C)CCC(C)C 62a_100000210211_200000037585 [0,3,0,0,0,0|0,1,0]=4 37308 B12R0.645 CCCCSC(C)(C)CCC(C)C 62a_200000037585_100000210210 [0,3,0,0,0,0|0,1,0]=4 37309 B12R0.645 COCCOC(C)(C)CCC(C)C 34a_100000210237_200000037585 [0,3,0,0,0,0|1,0,0]=4 37310 B12R0.645 COCCOC(C)(C)CCC(C)C 7a_200011218267_100000233755 [0,3,0,0,0,0|1,0,0]=4 37311 B12R0.645 CSCCOC(C)(C)CCC(C)C 34a_100000230434_200000037585 [0,3,0,0,0,0|1,0,0]=4 37312 B12R0.645 CSCCOC(C)(C)CCC(C)C 7a_200011218267_100000212216 [0,3,0,0,0,0|1,0,0]=4 37313 B12R0.649 CCCCCC(=O)CCC(C)(C)C 1458a_100000212188_100000755188 [0,3,0,0,0,0|1,0,0]=4 37314 B12R0.649 CCCCCC(=O)CCC(C)(C)C 1458a_100000757465_100000210326 [0,3,0,0,0,0|1,0,0]=4 37315 B12R0.649 CCCCCC(=O)CCC(C)(F)F 1458a_100000030992_100000210326 [0,3,0,0,0,0|1,0,0]=4 37316 B12R0.649 CCCCCN(C)CCC(C)(C)C 2230a_100000223495_100000755188 [0,3,0,0,0,0|1,0,0]=4 37317 B12R0.649 CCCCCN(C)CCC(C)(C)C 269982a_100000223495_100000755188 [0,3,0,0,0,0|1,0,0]=4 37318 B12R0.649 CCCCCN(C)CCC(C)(C)O 2230a_100000223495_100000702414 [0,3,0,0,0,0|1,0,0]=4 37319 B12R0.649 CCCCOC(C)CCC(F)(F)F 34a_200012104943_100000210210 [0,3,0,0,0,0|1,0,0]=4 37320 B12R0.649 CCCCOC(C)CCC(F)(F)F 7a_200012104943_100000210211 [0,3,0,0,0,0|1,0,0]=4 37321 B12R0.649 CCCCOC(C)COC(C)(C)C 7a_100011215624_100000210211 [0,3,0,0,0,0|1,0,0]=4 37322 B12R0.35 CCC(CC)CNCCCC(C)C 2230a_100102946423_100011214892 [0,3,0,0,0,0|1,0,0]=4 37323 B12R0.35 CCC(CC)CNCCCC(C)C 2230a_200000737386_100011215472 [0,3,0,0,0,0|1,0,0]=4 37324 B12R0.35 CCC(CC)CNCCCC(C)C 269862a_200000737386_100000211137 [0,3,0,0,0,0|1,0,0]=4 37325 B12R0.35 CCC(CC)CNCCCC(C)C 270004a_200000737386_100000211137 [0,3,0,0,0,0|1,0,0]=4 37326 B12R0.35 CCC(CC)CNCCCC(C)C 34a_200000737386_100011215472 [0,3,0,0,0,0|1,0,0]=4 37327 B12R0.35 CCC(CC)CNCCCC(C)O 2230a_100102946423_200000718107 [0,3,0,0,0,0|1,0,0]=4 37328 B12R0.35 CCC(CC)COCCCC(=O)C 34a_100000759063_100011215472 [0,3,0,0,0,0|0,0,1]=4 37329 B12R0.35 CCC(CC)COCCCC(=O)C 7a_100000703878_100011215641 [0,3,0,0,0,0|0,0,1]=4 37330 B12R0.35 CCC(CC)COCCCC(=O)C 7a_100000759063_100011215472 [0,3,0,0,0,0|0,0,1]=4 37331 B12R0.35 CCC(CC)COCCCC(C)C 34a_100000210774_100011215472 [0,3,0,0,0,0|0,0,0]=3 37332 B12R0.35 CCC(CC)COCCCC(C)C 7a_100000210774_100011215472 [0,3,0,0,0,0|0,0,0]=3 37333 B12R0.35 CCC(CC)COCCCC(C)C 7a_100000703878_100011214892 [0,3,0,0,0,0|0,0,0]=3 37334 B12R0.35 CCC(CC)COCCCC(C)O 7a_100000703878_200000718107 [0,3,0,0,0,0|0,0,0]=3 37335 B12R0.35 CCC(CC)COCCCN(C)C 7a_100000703878_100000757444 [0,3,0,0,0,0|1,0,0]=4 37336 B12R0.35 CCC(CC)COCCNC(C)C 34a_100000224655_100011215472 [0,3,0,0,0,0|1,0,0]=4 37337 B12R0.35 CCC(CC)COCCOC(C)C 34a_100000211219_100011215472 [0,3,0,0,0,0|1,0,0]=4 37338 B12R0.35 CCC(CC)COCCOC(C)C 7a_100000211219_100011215472 [0,3,0,0,0,0|1,0,0]=4 37339 B12R0.35 CCC(CC)COCCOC(C)C 7a_100000703878_100000211751 [0,3,0,0,0,0|1,0,0]=4 37340 B12R0.35 CCC(CC)COCCSC(C)C 34a_200011212901_100011215472 [0,3,0,0,0,0|1,0,0]=4 37341 B12R0.35 CCC(CC)COCCSC(C)C 7a_100000703878_100000730970 [0,3,0,0,0,0|1,0,0]=4 37342 B12R0.35 CCC(CC)COCCSC(C)C 7a_200011212901_100011215472 [0,3,0,0,0,0|1,0,0]=4 37343 B12R0.35 CCC(CC)CSCCCC(C)C 62a_100011214892_100011215472 [0,3,0,0,0,0|0,1,0]=4 37344 B12R0.35 CCC(CC)CSCCCC(C)C 62a_100011215472_100011214892 [0,3,0,0,0,0|0,1,0]=4 37345 B12R0.35 CCC(CC)CSCCCC(C)O 62a_100011215472_200000718107 [0,3,0,0,0,0|0,1,0]=4 37346 B12R0.35 CCC(CC)CSCCCC(C)O 62a_200000718107_100011215472 [0,3,0,0,0,0|0,1,0]=4 37347 B12R0.35 CCC(COCCCC(=O)C)OC 34a_100011934954_100000685027 [0,3,0,0,0,0|0,0,1]=4 37348 B12R0.35 CCC(COCCCC(=O)C)OC 7a_100011934954_100011215641 [0,3,0,0,0,0|0,0,1]=4 37349 B12R0.35 CCC(COCCCC(C)C)OC 34a_100011934954_100011214892 [0,3,0,0,0,0|0,0,0]=3 37350 B12R0.35 CCC(COCCCC(C)C)OC 7a_100011934954_100011214892 [0,3,0,0,0,0|0,0,0]=3 37351 B12R0.35 CCC(COCCCC(C)O)OC 34a_100011934954_200000718107 [0,3,0,0,0,0|0,0,0]=3 37352 B12R0.35 CCC(COCCCC(C)O)OC 7a_100011934954_200000718107 [0,3,0,0,0,0|0,0,0]=3 37353 B12R0.35 CCC(COCCCN(C)C)OC 7a_100011934954_100000757444 [0,3,0,0,0,0|1,0,0]=4 37354 B12R0.35 CCC(COCCOC(C)C)OC 34a_100011934954_100000211751 [0,3,0,0,0,0|1,0,0]=4 37355 B12R0.35 CCC(COCCOC(C)C)OC 7a_100011934954_100000211751 [0,3,0,0,0,0|1,0,0]=4 37356 B12R0.35 CCC(COCCSC(C)C)OC 34a_100011934954_100000730970 [0,3,0,0,0,0|1,0,0]=4 37357 B12R0.35 CCC(COCCSC(C)C)OC 7a_100011934954_100000730970 [0,3,0,0,0,0|1,0,0]=4 37358 B12R0.35 CCN(CC)CCOCCC(C)C 7a_100000210254_100000700428 [0,3,0,0,0,0|1,0,0]=4 37359 B12R0.35 CCN(CC)CCOCCC(C)C 7a_100016990331_100000210626 [0,3,0,0,0,0|1,0,0]=4 37360 B12R0.35 CCN(CC)CCOCCC(C)O 7a_100016990331_100012276601 [0,3,0,0,0,0|1,0,0]=4 37361 B12R0.35 CCN(CC)COCCCC(C)C 7a_200015374951_100011214892 [0,3,0,0,0,0|1,0,0]=4 37362 B12R0.35 CCN(CC)COCCCC(C)O 7a_200015374951_200000718107 [0,3,0,0,0,0|1,0,0]=4 37363 B12R0.35 COC(CCOCCC(C)Br)OC 34a_100009893172_100000139399 [0,3,0,0,0,0|1,0,0]=4 37364 B12R0.35 COC(CCOCCC(C)C)OC 34a_100000210254_100000139399 [0,3,0,0,0,0|1,0,0]=4 37365 B12R0.35 COC(CCOCCC(C)C)OC 7a_100000210254_100009813347 [0,3,0,0,0,0|1,0,0]=4 37366 B12R0.35 COC(CCOCC[C@@H](C)N)OC 34a_100000706166_100000139399 [0,3,0,0,0,0|1,0,0]=4 37367 B12R0.35 COC(COCCCC(C)C)OC 34a_100000210774_100000211822 [0,3,0,0,0,0|1,0,0]=4 37368 B12R0.35 COC(COCCCC(C)C)OC 34a_100011216393_100011214892 [0,3,0,0,0,0|1,0,0]=4 37369 B12R0.35 COC(COCCCC(C)C)OC 7a_100000210774_100000751394 [0,3,0,0,0,0|1,0,0]=4 37370 B12R0.35 COC(COCCCC(C)O)OC 34a_100011216393_200000718107 [0,3,0,0,0,0|1,0,0]=4 37371 B12R0.150 CC(C)(O)CCCOCC(Cl)CCl 34a_100000033668_100009888830 [0,3,0,0,0,0|1,0,0]=4 37372 B12R0.150 CC(C)(O)CCCOC[C@H](F)CN 34a_100015665980_100009888830 [0,3,0,0,0,0|1,0,0]=4 37373 B12R0.150 CC(CN)COCCCC(C)(C)O 34a_100000744482_100009888830 [0,3,0,0,0,0|1,0,0]=4 37374 B12R0.150 CCC(=O)COCCCC(C)(C)O 34a_100000725409_100009888830 [0,3,0,0,0,0|0,0,1]=4 37375 B12R0.150 CCC(C)CCNCCC(C)(C)C 2230a_100020591266_100000755188 [0,3,0,0,0,0|1,0,0]=4 37376 B12R0.150 CCC(C)CCNCCC(C)(C)O 2230a_100020591266_100000702414 [0,3,0,0,0,0|1,0,0]=4 37377 B12R0.150 CCC(C)CCOCCC(C)(C)C 7a_100011215188_100000755188 [0,3,0,0,0,0|0,0,0]=3 37378 B12R0.150 CCC(C)CCOCCC(C)(C)O 7a_100011215188_100000702414 [0,3,0,0,0,0|0,0,0]=3 37379 B12R0.150 CCC(C)CCOCCC(F)(F)F 7a_100011215188_100011219754 [0,3,0,0,0,0|1,0,0]=4 37380 B12R0.150 CCC(C)CCOCCS(=O)(=O)C 7a_100011215188_100000230027 [0,3,0,0,0,0|1,0,0]=4 37381 B12R0.150 CCC(C)CCOCC[N+](C)(C)C 7a_100011215188_100000085578 [0,3,0,0,0,0|1,0,0]=4 37382 B12R0.150 CCC(C)CCOCC[Si](C)(C)C 7a_100011215188_200000733723 [0,3,0,0,0,0|0,1,0]=4 37383 B12R0.150 CCC(C)CNCCCC(C)(C)O 2230a_100020588543_100009888830 [0,3,0,0,0,0|1,0,0]=4 37384 B12R0.150 CCC(C)COCCCC(F)(F)F 34a_100000749235_100000748023 [0,3,0,0,0,0|1,0,0]=4 37385 B12R0.150 CCC(C)COCCCS(=O)(=O)C 34a_100000689940_100000748023 [0,3,0,0,0,0|1,0,0]=4 37386 B12R0.150 CCC(C)COCCCS(=O)(=O)C 7a_100000689940_100000748023 [0,3,0,0,0,0|1,0,0]=4 37387 B12R0.150 CCC(C)COCCC[Si](C)(C)C 7a_200011215415_100000748023 [0,3,0,0,0,0|0,1,0]=4 37388 B12R0.150 CCC(C)COCCOC(C)(C)C 34a_100000693234_100000748023 [0,3,0,0,0,0|1,0,0]=4 37389 B12R0.150 CCC(C)COCCOC(C)(C)C 7a_100000693234_100000748023 [0,3,0,0,0,0|1,0,0]=4 37390 B12R0.150 CCC(C)CSCCCC(C)(C)O 62a_100000748023_100009888830 [0,3,0,0,0,0|0,1,0]=4 37391 B12R0.150 CCC(C)CSCCCC(C)(C)O 62a_100009888830_100000748023 [0,3,0,0,0,0|0,1,0]=4 37392 B12R0.150 CCC(O)CNCCCC(C)(C)O 2230a_100011218483_100009888830 [0,3,0,0,0,0|1,0,0]=4 37393 B12R0.150 CCC(O)COCCCC(F)(F)F 34a_100000749235_100011218378 [0,3,0,0,0,0|1,0,0]=4 37394 B12R0.150 CCC(O)COCCCS(=O)(=O)C 34a_100000689940_100011218378 [0,3,0,0,0,0|1,0,0]=4 37395 B12R0.150 CCC(O)COCCCS(=O)(=O)C 7a_100000689940_100011218378 [0,3,0,0,0,0|1,0,0]=4 37396 B12R0.150 CCC(O)COCCC[Si](C)(C)C 7a_200011215415_100011218378 [0,3,0,0,0,0|0,1,0]=4 37397 B12R0.150 CCC(O)COCCOC(C)(C)C 34a_100000693234_100011218378 [0,3,0,0,0,0|1,0,0]=4 37398 B12R0.150 CCC(O)COCCOC(C)(C)C 7a_100000693234_100011218378 [0,3,0,0,0,0|1,0,0]=4 37399 B12R0.150 CCC(O)CSCCCC(C)(C)O 62a_100009888830_100011218378 [0,3,0,0,0,0|0,1,0]=4 37400 B12R0.150 CCC(O)CSCCCC(C)(C)O 62a_100011218378_100009888830 [0,3,0,0,0,0|0,1,0]=4 37401 B12R0.150 CC[C@H](C)COCCCC(C)(C)O 7a_100009816381_100009888830 [0,3,0,0,0,0|0,0,0]=3 37402 B12R0.150 CC[C@H](C)COCCCC(F)(F)F 34a_100000749235_100009816398 [0,3,0,0,0,0|1,0,0]=4 37403 B12R0.150 CC[C@H](C)COCCCC(F)(F)F 7a_100009816381_100011216173 [0,3,0,0,0,0|1,0,0]=4 37404 B12R0.150 CC[C@H](C)COCCCS(=O)(=O)C 34a_100000689940_100009816398 [0,3,0,0,0,0|1,0,0]=4 37405 B12R0.150 CC[C@H](C)COCCCS(=O)(=O)C 7a_100000689940_100009816398 [0,3,0,0,0,0|1,0,0]=4 37406 B12R0.150 CC[C@H](C)COCCCS(=O)(=O)C 7a_100009816381_100000754308 [0,3,0,0,0,0|1,0,0]=4 37407 B12R0.150 CC[C@H](C)COCCC[N+](C)(C)C 7a_100009816381_100016990835 [0,3,0,0,0,0|1,0,0]=4 37408 B12R0.150 CC[C@H](C)COCCC[Si](C)(C)C 7a_100009816381_100011219597 [0,3,0,0,0,0|0,1,0]=4 37409 B12R0.150 CC[C@H](C)COCCC[Si](C)(C)C 7a_200011215415_100009816398 [0,3,0,0,0,0|0,1,0]=4 37410 B12R0.150 CC[C@H](C)COCCOC(C)(C)C 34a_100000693234_100009816398 [0,3,0,0,0,0|1,0,0]=4 37411 B12R0.150 CC[C@H](C)COCCOC(C)(C)C 7a_100000693234_100009816398 [0,3,0,0,0,0|1,0,0]=4 37412 B12R0.150 CC[C@H](C)CSCCCC(C)(C)O 62a_100009816398_100009888830 [0,3,0,0,0,0|0,1,0]=4 37413 B12R0.150 CC[C@H](C)CSCCCC(C)(C)O 62a_100009888830_100009816398 [0,3,0,0,0,0|0,1,0]=4 37414 B12R0.150 COC(C)CCOCCC(C)(C)C 7a_100000764861_100000755188 [0,3,0,0,0,0|1,0,0]=4 37415 B12R0.150 COC(C)CCOCCC(C)(C)O 7a_100000764861_100000702414 [0,3,0,0,0,0|1,0,0]=4 37416 B12R0.150 COC(C)COCCCC(C)(C)O 34a_100000690652_100009888830 [0,3,0,0,0,0|1,0,0]=4 37417 B12R0.210 CC(C)CCCOCC(C)(C)CCl 7a_100011217199_100011214892 [0,3,0,0,0,0|1,0,0]=4 37418 B12R0.210 CC(C)CCCOCC(C)(C)CO 34a_100000210774_100009813988 [0,3,0,0,0,0|1,0,0]=4 37419 B12R0.210 CC(C)CCCOCC(C)(C)CO 7a_100000210774_100009813988 [0,3,0,0,0,0|1,0,0]=4 37420 B12R0.210 CC(C)CCCOCC(F)(F)CN 34a_100000703232_100011214892 [0,3,0,0,0,0|1,0,0]=4 37421 B12R0.210 CC(O)CCCOCC(C)(C)CCl 7a_100011217199_200000718107 [0,3,0,0,0,0|1,0,0]=4 37422 B12R0.210 CC(O)CCCOCC(F)(F)CN 34a_100000703232_200000718107 [0,3,0,0,0,0|1,0,0]=4 37423 B12R0.210 CCC(C)(C)COCCCC(=O)C 7a_100000765029_100011215641 [0,3,0,0,0,0|0,0,1]=4 37424 B12R0.210 CCC(C)(C)COCCCC(C)C 7a_100000765029_100011214892 [0,3,0,0,0,0|0,0,0]=3 37425 B12R0.210 CCC(C)(C)COCCCC(C)O 7a_100000765029_200000718107 [0,3,0,0,0,0|0,0,0]=3 37426 B12R0.210 CCC(C)(C)COCCCN(C)C 7a_100000765029_100000757444 [0,3,0,0,0,0|1,0,0]=4 37427 B12R0.210 CCC(C)(C)COCCOC(C)C 7a_100000765029_100000211751 [0,3,0,0,0,0|1,0,0]=4 37428 B12R0.210 CCC(C)(C)COCCSC(C)C 7a_100000765029_100000730970 [0,3,0,0,0,0|1,0,0]=4 37429 B12R0.210 CCS(=O)(=O)CCOCCC(C)Br 34a_100009893172_100000756660 [0,3,0,0,0,0|1,0,0]=4 37430 B12R0.210 CCS(=O)(=O)CCOCCC(C)C 34a_100000210254_100000756660 [0,3,0,0,0,0|1,0,0]=4 37431 B12R0.210 CCS(=O)(=O)CCOCCC(C)C 34a_200011216379_100000210312 [0,3,0,0,0,0|1,0,0]=4 37432 B12R0.210 CCS(=O)(=O)CCOCCC(C)C 7a_100000210254_100000756660 [0,3,0,0,0,0|1,0,0]=4 37433 B12R0.210 CCS(=O)(=O)CCOCCC(C)C 7a_200011216379_100000210626 [0,3,0,0,0,0|1,0,0]=4 37434 B12R0.210 CCS(=O)(=O)CCOCCC(C)O 34a_200011216379_100012276601 [0,3,0,0,0,0|1,0,0]=4 37435 B12R0.210 CCS(=O)(=O)CCOCCC(C)O 7a_200011216379_100012276601 [0,3,0,0,0,0|1,0,0]=4 37436 B12R0.210 CCS(=O)(=O)CCOCC[C@@H](C)N 34a_100000706166_100000756660 [0,3,0,0,0,0|1,0,0]=4 37437 B12R0.210 COC(C)(C)CCOCCC(C)C 7a_100000699976_100000210626 [0,3,0,0,0,0|1,0,0]=4 37438 B12R0.210 COC(C)(C)CCOCCC(C)O 7a_100000699976_100012276601 [0,3,0,0,0,0|1,0,0]=4 37439 B12R0.210 COC(C)(C)COCCCC(C)C 34a_100000210774_100000701081 [0,3,0,0,0,0|1,0,0]=4 37440 B12R0.240 CCC(C)CC(=O)CCCC(C)C 1458a_100000708755_100011214892 [0,3,0,0,0,0|1,0,0]=4 37441 B12R0.240 CCC(C)CC(=O)CCCC(C)C 1458a_100011216857_100000748023 [0,3,0,0,0,0|1,0,0]=4 37442 B12R0.240 CCC(C)CC(=O)CCCC(C)O 1458a_100000708755_200000718107 [0,3,0,0,0,0|1,0,0]=4 37443 B12R0.240 CCC(C)CC(C)NCCC(C)C 2230a_100000763565_100000210312 [0,3,0,0,0,0|1,0,0]=4 37444 B12R0.240 CCC(C)CC(C)NCCC(C)C 269862a_100000763565_100000185833 [0,3,0,0,0,0|1,0,0]=4 37445 B12R0.240 CCC(C)CC(C)NCCC(C)C 270004a_100000210545_100011710205 [0,3,0,0,0,0|1,0,0]=4 37446 B12R0.240 CCC(C)CC(C)NCCC(C)O 2230a_100000763565_100012276601 [0,3,0,0,0,0|1,0,0]=4 37447 B12R0.240 CCC(C)CC(C)NCCC(C)O 270004a_200000755665_100011710205 [0,3,0,0,0,0|1,0,0]=4 37448 B12R0.240 CCC(C)CN(C)CCCC(C)C 2230a_100000753921_100011214892 [0,3,0,0,0,0|1,0,0]=4 37449 B12R0.240 CCC(C)CN(C)CCCC(C)C 269982a_100000753921_100011214892 [0,3,0,0,0,0|1,0,0]=4 37450 B12R0.240 CCC(C)CN(C)CCCC(C)O 2230a_100000753921_200000718107 [0,3,0,0,0,0|1,0,0]=4 37451 B12R0.240 CCC(C)CN(C)CCCC(C)O 269982a_100000753921_200000718107 [0,3,0,0,0,0|1,0,0]=4 37452 B12R0.240 CCC(O)CC(=O)CCCC(C)C 1458a_100011216857_100011218378 [0,3,0,0,0,0|1,0,0]=4 37453 B12R0.240 CCC(O)CC(=O)CCCC(C)C 1458a_100011667805_100011214892 [0,3,0,0,0,0|1,0,0]=4 37454 B12R0.240 CCC(O)CC(=O)CCCC(C)O 1458a_100011667805_200000718107 [0,3,0,0,0,0|1,0,0]=4 37455 B12R0.240 CC[C@H](C)CC(=O)CCCC(C)C 1458a_100011216857_100009816398 [0,3,0,0,0,0|1,0,0]=4 37456 B12R0.104 CC(CCCCl)OCCC(C)(C)C 34a_200000718107_100000755188 [0,3,0,0,0,0|1,0,0]=4 37457 B12R0.104 CC(CCCCl)OCCC(C)(C)C 7a_200000718107_100000755188 [0,3,0,0,0,0|1,0,0]=4 37458 B12R0.104 CC(CCCCl)OCCC(C)(C)O 34a_200000718107_100000702414 [0,3,0,0,0,0|1,0,0]=4 37459 B12R0.104 CC(CCCCl)OCCC(C)(C)O 7a_200000718107_100000702414 [0,3,0,0,0,0|1,0,0]=4 37460 B12R0.104 CCCCC(C)NCCC(C)(C)C 2230a_100000126638_100000755188 [0,3,0,0,0,0|1,0,0]=4 37461 B12R0.104 CCCCC(C)NCCC(C)(C)C 2230a_100000738805_200011215066 [0,3,0,0,0,0|1,0,0]=4 37462 B12R0.104 CCCCC(C)NCCC(C)(C)C 270004a_100000738805_100000210087 [0,3,0,0,0,0|1,0,0]=4 37463 B12R0.104 CCCCC(C)NCCC(C)(C)F 2230a_100016253952_200011215066 [0,3,0,0,0,0|1,0,0]=4 37464 B12R0.104 CCCCC(C)NCCC(C)(C)F 270004a_100016253952_100000210087 [0,3,0,0,0,0|1,0,0]=4 37465 B12R0.104 CCCCC(C)NCCC(C)(C)O 2230a_100000126638_100000702414 [0,3,0,0,0,0|1,0,0]=4 37466 B12R0.104 CCCCC(C)NCCC(C)(C)O 270004a_100000707701_100000210087 [0,3,0,0,0,0|1,0,0]=4 37467 B12R0.104 CCCCC(C)OCCC(C)(C)C 34a_100000687866_100000755188 [0,3,0,0,0,0|0,0,0]=3 37468 B12R0.104 CCCCC(C)OCCC(C)(C)C 7a_100000687866_100000755188 [0,3,0,0,0,0|0,0,0]=3 37469 B12R0.104 CCCCC(C)OCCC(C)(C)C 7a_100000765024_200011215066 [0,3,0,0,0,0|0,0,0]=3 37470 B12R0.104 CCCCC(C)OCCC(C)(C)O 34a_100000687866_100000702414 [0,3,0,0,0,0|0,0,0]=3 37471 B12R0.104 CCCCC(C)OCCC(C)(C)O 7a_100000687866_100000702414 [0,3,0,0,0,0|0,0,0]=3 37472 B12R0.104 CCCCC(C)OCCC(F)(F)F 34a_100000687866_100011219754 [0,3,0,0,0,0|1,0,0]=4 37473 B12R0.104 CCCCC(C)OCCC(F)(F)F 34a_100000752437_200011215066 [0,3,0,0,0,0|1,0,0]=4 37474 B12R0.104 CCCCC(C)OCCC(F)(F)F 7a_100000687866_100011219754 [0,3,0,0,0,0|1,0,0]=4 37475 B12R0.104 CCCCC(C)OCCS(=O)(=O)C 34a_100000211924_200011215066 [0,3,0,0,0,0|1,0,0]=4 37476 B12R0.104 CCCCC(C)OCCS(=O)(=O)C 34a_100000687866_100000731031 [0,3,0,0,0,0|1,0,0]=4 37477 B12R0.104 CCCCC(C)OCCS(=O)(=O)C 7a_100000211924_200011215066 [0,3,0,0,0,0|1,0,0]=4 37478 B12R0.104 CCCCC(C)OCCS(=O)(=O)C 7a_100000687866_100000230027 [0,3,0,0,0,0|1,0,0]=4 37479 B12R0.104 CCCCC(C)OCC[N+](C)(C)C 34a_100000687866_100000085578 [0,3,0,0,0,0|1,0,0]=4 37480 B12R0.104 CCCCC(C)OCC[N+](C)(C)C 7a_100000687866_100000085578 [0,3,0,0,0,0|1,0,0]=4 37481 B12R0.104 CCCCC(C)OCC[N+](C)(C)C 7a_200020618287_200011215066 [0,3,0,0,0,0|1,0,0]=4 37482 B12R0.104 CCCCC(C)OCC[Si](C)(C)C 34a_100000687866_200000733723 [0,3,0,0,0,0|0,1,0]=4 37483 B12R0.104 CCCCC(C)OCC[Si](C)(C)C 7a_100000039746_200011215066 [0,3,0,0,0,0|0,1,0]=4 37484 B12R0.104 CCCCC(C)OCC[Si](C)(C)C 7a_100000687866_200000733723 [0,3,0,0,0,0|0,1,0]=4 37485 B12R0.104 CCCCC(C)SCCC(C)(C)C 62a_100000755188_200011215066 [0,3,0,0,0,0|0,1,0]=4 37486 B12R0.104 CCCCC(C)SCCC(C)(C)C 62a_200011215066_100000755188 [0,3,0,0,0,0|0,1,0]=4 37487 B12R0.104 CCCCC(C)SCCC(C)(C)O 62a_100000702414_200011215066 [0,3,0,0,0,0|0,1,0]=4 37488 B12R0.104 CCCCC(C)SCCC(C)(C)O 62a_200011215066_100000702414 [0,3,0,0,0,0|0,1,0]=4 37489 B12R0.104 CCCCN(C)CCCC(C)(C)O 2230a_100000207549_100009888830 [0,3,0,0,0,0|1,0,0]=4 37490 B12R0.104 CCCCN(C)CCCC(C)(C)O 269982a_100000207549_100009888830 [0,3,0,0,0,0|1,0,0]=4 37491 B12R0.104 CCOCC(C)OCCC(C)(C)C 34a_100000718985_100000755188 [0,3,0,0,0,0|1,0,0]=4 37492 B12R0.104 CCOCC(C)OCCC(C)(C)C 7a_100000718985_100000755188 [0,3,0,0,0,0|1,0,0]=4 37493 B12R0.104 CCOCC(C)OCCC(C)(C)O 34a_100000718985_100000702414 [0,3,0,0,0,0|1,0,0]=4 37494 B12R0.104 CCOCC(C)OCCC(C)(C)O 7a_100000718985_100000702414 [0,3,0,0,0,0|1,0,0]=4 37495 B12R0.233 C=C(C)CCOC(C)CCCCC 34a_100000764851_200011218191 [0,3,0,0,0,0|0,0,1]=4 37496 B12R0.233 C=C(C)CCOC(C)CCCCC 34a_100011215632_100000730704 [0,3,0,0,0,0|0,0,1]=4 37497 B12R0.233 C=C(C)CCOC(C)CCCCC 7a_100011215632_100000730704 [0,3,0,0,0,0|0,0,1]=4 37498 B12R0.233 C=C(C)CCOC(C)CCCOC 34a_200011539412_100000730704 [0,3,0,0,0,0|0,0,1]=4 37499 B12R0.233 C=C(C)CCOC(C)CCCOC 7a_200011539412_100000730704 [0,3,0,0,0,0|0,0,1]=4 37500 B12R0.233 CC(C)CCCC(=O)CCCCF 1458a_100011216857_100000729493 [0,3,0,0,0,0|1,0,0]=4 37501 B12R0.233 CC(C)CCCC(=O)CCCCO 1458a_100000695505_100011214892 [0,3,0,0,0,0|1,0,0]=4 37502 B12R0.233 CC(C)CCCC(=O)CCCCO 1458a_100011216857_100000210776 [0,3,0,0,0,0|1,0,0]=4 37503 B12R0.233 CC(C)CCCC(C)OCCCF 34a_200011218570_100011934791 [0,3,0,0,0,0|1,0,0]=4 37504 B12R0.233 CC(C)CCCC(C)OCCCF 7a_200011218570_100011934791 [0,3,0,0,0,0|1,0,0]=4 37505 B12R0.233 CC(C)CCCC(C)OCCCO 34a_200011218570_100000230001 [0,3,0,0,0,0|1,0,0]=4 37506 B12R0.233 CC(C)CCCC(C)OCCCO 7a_200011218570_100011215043 [0,3,0,0,0,0|1,0,0]=4 37507 B12R0.233 CC(C)CCCN(C)CCCCO 2230a_100000717598_100011214892 [0,3,0,0,0,0|1,0,0]=4 37508 B12R0.233 CC(C)CCCN(C)CCCCO 269982a_100000717598_100011214892 [0,3,0,0,0,0|1,0,0]=4 37509 B12R0.233 CC(O)CCCC(=O)CCCCO 1458a_100000695505_200000718107 [0,3,0,0,0,0|1,0,0]=4 37510 B12R0.233 CC(O)CCCN(C)CCCCO 2230a_100000717598_200000718107 [0,3,0,0,0,0|1,0,0]=4 37511 B12R0.233 CC(O)CCCN(C)CCCCO 269982a_100000717598_200000718107 [0,3,0,0,0,0|1,0,0]=4 37512 B12R0.233 CCC#CCC(C)OCCC(C)C 34a_200000035118_100000210312 [0,3,0,0,0,0|0,0,1]=4 37513 B12R0.233 CCC#CCC(C)OCCC(C)C 7a_200000035118_100000210626 [0,3,0,0,0,0|0,0,1]=4 37514 B12R0.233 CCC#CCC(C)OCCC(C)O 34a_200000035118_100012276601 [0,3,0,0,0,0|0,0,1]=4 37515 B12R0.233 CCC#CCC(C)OCCC(C)O 7a_200000035118_100012276601 [0,3,0,0,0,0|0,0,1]=4 37516 B12R0.233 CCCCCC(=O)CCCC(=O)C 1458a_100000212188_100011215641 [0,3,0,0,0,0|1,0,0]=4 37517 B12R0.233 CCCCCC(=O)CCCC(C)C 1458a_100000212188_100011214892 [0,3,0,0,0,0|1,0,0]=4 37518 B12R0.233 CCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210326 [0,3,0,0,0,0|1,0,0]=4 37519 B12R0.233 CCCCCC(=O)CCCC(C)O 1458a_100000212188_200000718107 [0,3,0,0,0,0|1,0,0]=4 37520 B12R0.233 CCCCCC(=O)CCCN(C)C 1458a_100000212188_100000695564 [0,3,0,0,0,0|1,0,0]=4 37521 B12R0.233 CCCCCC(=O)CCOC(C)C 1458a_100000212188_100000211751 [0,3,0,0,0,0|1,0,0]=4 37522 B12R0.233 CCCCCC(=O)CCSC(C)C 1458a_100000212188_100000730970 [0,3,0,0,0,0|1,0,0]=4 37523 B12R0.233 CCCCCC(=O)CNCC(C)C 2230a_100000210953_200012276598 [0,3,0,0,0,0|1,0,0]=4 37524 B12R0.233 CCCCCC(=O)CNCC(C)C 34a_100000210953_200012276598 [0,3,0,0,0,0|1,0,0]=4 37525 B12R0.233 CCCCCC(=O)CNCC(C)O 2230a_100000210904_200012276598 [0,3,0,0,0,0|1,0,0]=4 37526 B12R0.233 CCCCCC(=O)CNCC(C)O 34a_100000210904_200012276598 [0,3,0,0,0,0|1,0,0]=4 37527 B12R0.233 CCCCCC(=O)COCC(C)Br 34a_100012180447_200012276598 [0,3,0,0,0,0|1,0,0]=4 37528 B12R0.233 CCCCCC(=O)COCC(C)C 1458a_100011223364_100000210326 [0,3,0,0,0,0|1,0,0]=4 37529 B12R0.233 CCCCCC(=O)COCC(C)C 34a_100000210257_200012276598 [0,3,0,0,0,0|1,0,0]=4 37530 B12R0.233 CCCCCC(=O)COCC(C)F 34a_100015925927_200012276598 [0,3,0,0,0,0|1,0,0]=4 37531 B12R0.233 CCCCCC(=O)COC[C@@H](C)Cl 34a_100016084084_200012276598 [0,3,0,0,0,0|1,0,0]=4 37532 B12R0.233 CCCCCC(=O)COC[C@@H](C)N 34a_100000737577_200012276598 [0,3,0,0,0,0|1,0,0]=4 37533 B12R0.233 CCCCCC(=O)CSCC(C)C 62a_100000210624_200012276598 [0,3,0,0,0,0|1,0,0]=4 37534 B12R0.233 CCCCCC(=O)CSCC(C)C 62a_200012276598_100000210760 [0,3,0,0,0,0|1,0,0]=4 37535 B12R0.233 CCCCCC(=O)CSCC(C)O 62a_100011218427_200012276598 [0,3,0,0,0,0|1,0,0]=4 37536 B12R0.233 CCCCCC(=O)CSCC(C)O 62a_200012276598_100011218427 [0,3,0,0,0,0|1,0,0]=4 37537 B12R0.233 CCCCCC(=O)CSC[C@@H](C)O 62a_100009817552_200012276598 [0,3,0,0,0,0|1,0,0]=4 37538 B12R0.233 CCCCCC(=O)CSC[C@@H](C)O 62a_200012276598_100009817552 [0,3,0,0,0,0|1,0,0]=4 37539 B12R0.233 CCCCCC(=O)NCCC(C)C 11a_100000210545_100000212188 [0,3,0,0,0,0|1,0,0]=4 37540 B12R0.233 CCCCCC(=O)NCCC(C)C 1626a_100000210545_100000212188 [0,3,0,0,0,0|1,0,0]=4 37541 B12R0.233 CCCCCC(=O)NCCC(C)C 240690a_100000210545_100000212188 [0,3,0,0,0,0|1,0,0]=4 37542 B12R0.233 CCCCCC(=O)NCCC(C)C 527a_100000210545_100000212188 [0,3,0,0,0,0|1,0,0]=4 37543 B12R0.233 CCCCCC(=O)NCCC(C)O 240690a_200000755665_100000212188 [0,3,0,0,0,0|1,0,0]=4 37544 B12R0.233 CCCCCC(=O)NCCC(C)O 527a_200000755665_100000212188 [0,3,0,0,0,0|1,0,0]=4 37545 B12R0.233 CCCCCC(C)NCCC(C)C 2230a_100000211957_100000210312 [0,3,0,0,0,0|1,0,0]=4 37546 B12R0.233 CCCCCC(C)NCCC(C)C 269862a_100000211957_100000185833 [0,3,0,0,0,0|1,0,0]=4 37547 B12R0.233 CCCCCC(C)NCCC(C)C 270004a_100000210545_100000211708 [0,3,0,0,0,0|1,0,0]=4 37548 B12R0.233 CCCCCC(C)NCCC(C)O 2230a_100000211957_100012276601 [0,3,0,0,0,0|1,0,0]=4 37549 B12R0.233 CCCCCC(C)NCCC(C)O 2230a_200000755665_200011218191 [0,3,0,0,0,0|1,0,0]=4 37550 B12R0.233 CCCCCC(C)NCCC(C)O 270004a_200000755665_100000211708 [0,3,0,0,0,0|1,0,0]=4 37551 B12R0.233 CCCCCC(C)OCCC(=O)C 34a_100000759926_200011218191 [0,3,0,0,0,0|0,0,1]=4 37552 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100000759926_200011218191 [0,3,0,0,0,0|0,0,1]=4 37553 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100011215632_100000053229 [0,3,0,0,0,0|0,0,1]=4 37554 B12R0.233 CCCCCC(C)OCCC(C)Br 34a_100009893172_200011218191 [0,3,0,0,0,0|0,0,0]=3 37555 B12R0.233 CCCCCC(C)OCCC(C)C 34a_100000210254_200011218191 [0,3,0,0,0,0|0,0,0]=3 37556 B12R0.233 CCCCCC(C)OCCC(C)C 34a_100011215632_100000210312 [0,3,0,0,0,0|0,0,0]=3 37557 B12R0.233 CCCCCC(C)OCCC(C)C 7a_100000210254_200011218191 [0,3,0,0,0,0|0,0,0]=3 37558 B12R0.233 CCCCCC(C)OCCC(C)C 7a_100011215632_100000210626 [0,3,0,0,0,0|0,0,0]=3 37559 B12R0.233 CCCCCC(C)OCCC(C)O 34a_100011215632_100012276601 [0,3,0,0,0,0|0,0,0]=3 37560 B12R0.233 CCCCCC(C)OCCC(C)O 7a_100011215632_100012276601 [0,3,0,0,0,0|0,0,0]=3 37561 B12R0.233 CCCCCC(C)OCCC(F)F 34a_100103093639_200011218191 [0,3,0,0,0,0|1,0,0]=4 37562 B12R0.233 CCCCCC(C)OCCN(C)C 7a_100011215632_100000755713 [0,3,0,0,0,0|1,0,0]=4 37563 B12R0.233 CCCCCC(C)OCC[C@@H](C)N 34a_100000706166_200011218191 [0,3,0,0,0,0|0,0,0]=3 37564 B12R0.233 CCCCCC(C)OCOC(C)C 34a_100011215632_100000709892 [0,3,0,0,0,0|1,0,0]=4 37565 B12R0.233 CCCCCC(C)SCCC(C)C 62a_100000210312_200011218191 [0,3,0,0,0,0|0,1,0]=4 37566 B12R0.233 CCCCCC(C)SCCC(C)C 62a_200011218191_100000210312 [0,3,0,0,0,0|0,1,0]=4 37567 B12R0.233 CCCCCC(C)SCCC(C)O 62a_100012276601_200011218191 [0,3,0,0,0,0|0,1,0]=4 37568 B12R0.233 CCCCCC(C)SCCC(C)O 62a_200011218191_100012276601 [0,3,0,0,0,0|0,1,0]=4 37569 B12R0.233 CCCCCN(C)CCCC(=O)C 269982a_100000223495_100011215641 [0,3,0,0,0,0|1,0,0]=4 37570 B12R0.233 CCCCCN(C)CCCC(C)C 2230a_100000223495_100011214892 [0,3,0,0,0,0|1,0,0]=4 37571 B12R0.233 CCCCCN(C)CCCC(C)C 269982a_100000223495_100011214892 [0,3,0,0,0,0|1,0,0]=4 37572 B12R0.233 CCCCCN(C)CCCC(C)O 2230a_100000223495_200000718107 [0,3,0,0,0,0|1,0,0]=4 37573 B12R0.233 CCCCCN(C)CCCC(C)O 269982a_100000223495_200000718107 [0,3,0,0,0,0|1,0,0]=4 37574 B12R0.233 CCCCCN(C)CCCN(C)C 269982a_100000223495_100000757444 [0,3,0,0,0,0|1,0,0]=4 37575 B12R0.233 CCCCCN(C)CCCN(C)C 269982a_100000225831_100000210215 [0,3,0,0,0,0|1,0,0]=4 37576 B12R0.233 CCCCCN(C)CCOC(C)C 2230a_100000223495_100000211751 [0,3,0,0,0,0|1,0,0]=4 37577 B12R0.233 CCCCCN(C)CCOC(C)C 269982a_100000223495_100000211751 [0,3,0,0,0,0|1,0,0]=4 37578 B12R0.233 CCCCCN(C)CCSC(C)C 2230a_100000223495_100000730970 [0,3,0,0,0,0|1,0,0]=4 37579 B12R0.233 CCCCCN(C)CCSC(C)C 269982a_100000223495_100000730970 [0,3,0,0,0,0|1,0,0]=4 37580 B12R0.233 CCCCNC(=O)CCCC(C)C 11a_100000102301_100011216857 [0,3,0,0,0,0|1,0,0]=4 37581 B12R0.233 CCCCNC(=O)CCCC(C)C 1626a_100000102301_100011216857 [0,3,0,0,0,0|1,0,0]=4 37582 B12R0.233 CCCCNC(=O)CCCC(C)C 240690a_100000102301_100011216857 [0,3,0,0,0,0|1,0,0]=4 37583 B12R0.233 CCCCNC(=O)CCCC(C)C 527a_100000102301_100011216857 [0,3,0,0,0,0|1,0,0]=4 37584 B12R0.233 CCCCNC(=O)CCCC(C)O 1626a_100000102301_100000761597 [0,3,0,0,0,0|1,0,0]=4 37585 B12R0.233 CCCCNC(=O)CCCC(C)O 527a_100000102301_100000761597 [0,3,0,0,0,0|1,0,0]=4 37586 B12R0.233 CCCCNC(C)CCCC(C)C 2230a_100000210607_100000210211 [0,3,0,0,0,0|1,0,0]=4 37587 B12R0.233 CCCCNC(C)CCCC(C)C 270004a_100000102301_100000753411 [0,3,0,0,0,0|1,0,0]=4 37588 B12R0.233 CCCCNC(C)CCOC(C)C 270004a_100000102301_200011219172 [0,3,0,0,0,0|1,0,0]=4 37589 B12R0.233 CCCCOC(=O)CNCC(C)C 2230a_100000210953_100000211628 [0,3,0,0,0,0|0,0,1]=4 37590 B12R0.233 CCCCOC(=O)CNCC(C)C 34a_100000210953_100000211628 [0,3,0,0,0,0|0,0,1]=4 37591 B12R0.233 CCCCOC(=O)CNCC(C)O 2230a_100000210904_100000211628 [0,3,0,0,0,0|0,0,1]=4 37592 B12R0.233 CCCCOC(=O)CNCC(C)O 34a_100000210904_100000211628 [0,3,0,0,0,0|0,0,1]=4 37593 B12R0.233 CCCCOC(=O)COCC(C)Br 34a_100012180447_100000211628 [0,3,0,0,0,0|0,0,1]=4 37594 B12R0.233 CCCCOC(=O)COCC(C)C 34a_100000210257_100000211628 [0,3,0,0,0,0|0,0,1]=4 37595 B12R0.233 CCCCOC(=O)COCC(C)F 34a_100015925927_100000211628 [0,3,0,0,0,0|0,0,1]=4 37596 B12R0.233 CCCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000211628 [0,3,0,0,0,0|0,0,1]=4 37597 B12R0.233 CCCCOC(=O)COC[C@@H](C)N 34a_100000737577_100000211628 [0,3,0,0,0,0|0,0,1]=4 37598 B12R0.233 CCCCOC(=O)CSCC(C)C 62a_100000210624_100000211628 [0,3,0,0,0,0|0,0,1]=4 37599 B12R0.233 CCCCOC(=O)CSCC(C)C 62a_100000211628_100000210760 [0,3,0,0,0,0|0,0,1]=4 37600 B12R0.233 CCCCOC(=O)CSCC(C)O 62a_100000211628_100011218427 [0,3,0,0,0,0|0,0,1]=4 37601 B12R0.233 CCCCOC(=O)CSCC(C)O 62a_100011218427_100000211628 [0,3,0,0,0,0|0,0,1]=4 37602 B12R0.233 CCCCOC(=O)CSC[C@@H](C)O 62a_100000211628_100009817552 [0,3,0,0,0,0|0,0,1]=4 37603 B12R0.233 CCCCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000211628 [0,3,0,0,0,0|0,0,1]=4 37604 B12R0.233 CCCCOC(C)CCC=C(C)C 34a_100102619829_100000210210 [0,3,0,0,0,0|0,0,1]=4 37605 B12R0.233 CCCCOC(C)CCC=C(C)C 7a_100102619829_100000210211 [0,3,0,0,0,0|0,0,1]=4 37606 B12R0.233 CCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210211 [0,3,0,0,0,0|0,0,1]=4 37607 B12R0.233 CCCCOC(C)CCCC(C)C 34a_200011218570_100000210210 [0,3,0,0,0,0|0,0,0]=3 37608 B12R0.233 CCCCOC(C)CCCC(C)C 7a_200011218570_100000210211 [0,3,0,0,0,0|0,0,0]=3 37609 B12R0.233 CCCOCC(=O)CCCC(C)C 1458a_100000745993_100011214892 [0,3,0,0,0,0|1,0,0]=4 37610 B12R0.233 CCCOCC(=O)CCCC(C)O 1458a_100000745993_200000718107 [0,3,0,0,0,0|1,0,0]=4 37611 B12R0.233 CCCSCC(=O)CCCC(C)C 1458a_100000217233_100011214892 [0,3,0,0,0,0|1,0,0]=4 37612 B12R0.233 CCCSCC(=O)CCCC(C)O 1458a_100000217233_200000718107 [0,3,0,0,0,0|1,0,0]=4 37613 B12R0.233 CCCSCC(C)NCCC(C)C 270004a_100000210545_100011343953 [0,3,0,0,0,0|1,0,0]=4 37614 B12R0.233 CCCSCC(C)NCCC(C)O 270004a_200000755665_100011343953 [0,3,0,0,0,0|1,0,0]=4 37615 B12R0.233 CCNCCC(C)CCCC(C)C 2230a_100015525214_100009816328 [0,3,0,0,0,0|1,0,0]=4 37616 B12R0.233 CCNCCC(C)CCCC(C)C 2230a_102516457229_100000210202 [0,3,0,0,0,0|1,0,0]=4 37617 B12R0.233 CCOCCC(=O)CCCC(C)C 1458a_100000749530_100011214892 [0,3,0,0,0,0|1,0,0]=4 37618 B12R0.233 CCOCCC(=O)CCCC(C)C 1458a_100011216857_100011215890 [0,3,0,0,0,0|1,0,0]=4 37619 B12R0.233 CCOCCC(=O)CCCC(C)O 1458a_100000749530_200000718107 [0,3,0,0,0,0|1,0,0]=4 37620 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100000015991_100000210202 [0,3,0,0,0,0|1,0,0]=4 37621 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100121572206_100009816328 [0,3,0,0,0,0|1,0,0]=4 37622 B12R0.233 CCOCCC(C)CCCC(C)C 7a_100000015991_100000210202 [0,3,0,0,0,0|1,0,0]=4 37623 B12R0.233 CCOCCC(C)NCCC(C)C 270004a_100000210545_200011216536 [0,3,0,0,0,0|1,0,0]=4 37624 B12R0.233 CCOCCC(C)NCCC(C)O 270004a_200000755665_200011216536 [0,3,0,0,0,0|1,0,0]=4 37625 B12R0.233 CCSCCC(=O)CCCC(C)C 1458a_100000230768_100011214892 [0,3,0,0,0,0|1,0,0]=4 37626 B12R0.233 CCSCCC(=O)CCCC(C)C 1458a_100011216857_100000757381 [0,3,0,0,0,0|1,0,0]=4 37627 B12R0.233 CCSCCC(=O)CCCC(C)O 1458a_100000230768_200000718107 [0,3,0,0,0,0|1,0,0]=4 37628 B12R0.233 CCSCCC(C)CCCC(C)C 62a_100000210202_100009816328 [0,3,0,0,0,0|1,0,0]=4 37629 B12R0.233 CCSCCC(C)CCCC(C)C 62a_100009816328_100000210202 [0,3,0,0,0,0|1,0,0]=4 37630 B12R0.233 COCCCC(=O)CCCC(C)C 1458a_100000741012_100011214892 [0,3,0,0,0,0|1,0,0]=4 37631 B12R0.233 COCCCC(=O)CCCC(C)C 1458a_100011216857_100000740836 [0,3,0,0,0,0|1,0,0]=4 37632 B12R0.233 COCCCC(=O)CCCC(C)O 1458a_100000741012_200000718107 [0,3,0,0,0,0|1,0,0]=4 37633 B12R0.233 COCCCC(C)OCCC(=O)C 7a_200011539412_100000053229 [0,3,0,0,0,0|0,0,1]=4 37634 B12R0.233 COCCCC(C)OCCC(C)C 34a_200011539412_100000210312 [0,3,0,0,0,0|0,0,0]=3 37635 B12R0.233 COCCCC(C)OCCC(C)C 7a_200011539412_100000210626 [0,3,0,0,0,0|0,0,0]=3 37636 B12R0.233 COCCCC(C)OCCC(C)O 34a_200011539412_100012276601 [0,3,0,0,0,0|0,0,0]=3 37637 B12R0.233 COCCCC(C)OCCC(C)O 7a_200011539412_100012276601 [0,3,0,0,0,0|0,0,0]=3 37638 B12R0.233 COCCCC(C)OCCN(C)C 7a_200011539412_100000755713 [0,3,0,0,0,0|1,0,0]=4 37639 B12R0.233 COCCCC(C)OCOC(C)C 34a_200011539412_100000709892 [0,3,0,0,0,0|1,0,0]=4 37640 B12R0.233 COCCCN(C)CCCC(C)C 2230a_100000224831_100011214892 [0,3,0,0,0,0|1,0,0]=4 37641 B12R0.233 COCCCN(C)CCCC(C)C 269982a_100000224831_100011214892 [0,3,0,0,0,0|1,0,0]=4 37642 B12R0.233 COCCCN(C)CCCC(C)O 2230a_100000224831_200000718107 [0,3,0,0,0,0|1,0,0]=4 37643 B12R0.233 COCCCN(C)CCCC(C)O 269982a_100000224831_200000718107 [0,3,0,0,0,0|1,0,0]=4 37644 B12R0.233 COCCOC(C)CCCC(C)C 34a_200011218570_100011201679 [0,3,0,0,0,0|1,0,0]=4 37645 B12R0.233 COCCOC(C)CCCC(C)C 7a_200011218570_100000233755 [0,3,0,0,0,0|1,0,0]=4 37646 B12R0.233 CSCCCC(=O)CCCC(C)C 1458a_100000173376_100011214892 [0,3,0,0,0,0|1,0,0]=4 37647 B12R0.233 CSCCCC(=O)CCCC(C)O 1458a_100000173376_200000718107 [0,3,0,0,0,0|1,0,0]=4 37648 B12R0.233 CSCCCC(C)NCCC(C)C 270004a_100000210545_100011399439 [0,3,0,0,0,0|1,0,0]=4 37649 B12R0.233 CSCCCC(C)NCCC(C)O 270004a_200000755665_100011399439 [0,3,0,0,0,0|1,0,0]=4 37650 B12R0.233 CSCCOC(C)CCCC(C)C 34a_200011218570_100000212216 [0,3,0,0,0,0|1,0,0]=4 37651 B12R0.233 CSCCOC(C)CCCC(C)C 7a_200011218570_100000212216 [0,3,0,0,0,0|1,0,0]=4 37652 B12R0.254 C#CC(CCCC)OCCC(=C)C 34a_200011217967_100000730704 [0,3,0,0,0,0|0,0,1]=4 37653 B12R0.254 C#CC(CCCC)OCCC(=C)C 7a_200011217967_100000730704 [0,3,0,0,0,0|0,0,1]=4 37654 B12R0.254 C#CC(CCCC)OCCC(=O)C 7a_200011217967_100000053229 [0,3,0,0,0,0|0,0,1]=4 37655 B12R0.254 C#CC(CCCC)OCCC(C)C 34a_200011217967_100000210312 [0,3,0,0,0,0|0,0,0]=3 37656 B12R0.254 C#CC(CCCC)OCCC(C)C 7a_200011217967_100000210626 [0,3,0,0,0,0|0,0,0]=3 37657 B12R0.254 C#CC(CCCC)OCCC(C)O 34a_200011217967_100012276601 [0,3,0,0,0,0|0,0,0]=3 37658 B12R0.254 C#CC(CCCC)OCCC(C)O 7a_200011217967_100012276601 [0,3,0,0,0,0|0,0,0]=3 37659 B12R0.254 C#CC(CCCC)OCCN(C)C 7a_200011217967_100000755713 [0,3,0,0,0,0|1,0,0]=4 37660 B12R0.254 C#CC(CCCC)OCOC(C)C 34a_200011217967_100000709892 [0,3,0,0,0,0|1,0,0]=4 37661 B12R0.254 C=C(C)CCOC(CC)CCCC 34a_100000764851_200011216223 [0,3,0,0,0,0|0,0,1]=4 37662 B12R0.254 C=C(C)CCOC(CC)CCCC 34a_100011215227_100000730704 [0,3,0,0,0,0|0,0,1]=4 37663 B12R0.254 C=C(C)CCOC(CC)CCCC 7a_100011215227_100000730704 [0,3,0,0,0,0|0,0,1]=4 37664 B12R0.254 C=CC(CCCC)OCCC(=C)C 34a_200011215037_100000730704 [0,3,0,0,0,0|0,0,1]=4 37665 B12R0.254 C=CC(CCCC)OCCC(=C)C 7a_200011215037_100000730704 [0,3,0,0,0,0|0,0,1]=4 37666 B12R0.254 C=CC(CCCC)OCCC(=O)C 7a_200011215037_100000053229 [0,3,0,0,0,0|0,0,1]=4 37667 B12R0.254 C=CC(CCCC)OCCC(C)C 34a_200011215037_100000210312 [0,3,0,0,0,0|0,0,0]=3 37668 B12R0.254 C=CC(CCCC)OCCC(C)C 7a_200011215037_100000210626 [0,3,0,0,0,0|0,0,0]=3 37669 B12R0.254 C=CC(CCCC)OCCC(C)O 34a_200011215037_100012276601 [0,3,0,0,0,0|0,0,0]=3 37670 B12R0.254 C=CC(CCCC)OCCC(C)O 7a_200011215037_100012276601 [0,3,0,0,0,0|0,0,0]=3 37671 B12R0.254 C=CC(CCCC)OCCN(C)C 7a_200011215037_100000755713 [0,3,0,0,0,0|1,0,0]=4 37672 B12R0.254 C=CC(CCCC)OCOC(C)C 34a_200011215037_100000709892 [0,3,0,0,0,0|1,0,0]=4 37673 B12R0.254 CCCCC(CC)NCCC(C)C 270004a_100000210545_100000753412 [0,3,0,0,0,0|1,0,0]=4 37674 B12R0.254 CCCCC(CC)NCCC(C)O 270004a_200000755665_100000753412 [0,3,0,0,0,0|1,0,0]=4 37675 B12R0.254 CCCCC(CC)OCCC(=O)C 34a_100000759926_200011216223 [0,3,0,0,0,0|0,0,1]=4 37676 B12R0.254 CCCCC(CC)OCCC(=O)C 7a_100000759926_200011216223 [0,3,0,0,0,0|0,0,1]=4 37677 B12R0.254 CCCCC(CC)OCCC(=O)C 7a_100011215227_100000053229 [0,3,0,0,0,0|0,0,1]=4 37678 B12R0.254 CCCCC(CC)OCCC(C)Br 34a_100009893172_200011216223 [0,3,0,0,0,0|0,0,0]=3 37679 B12R0.254 CCCCC(CC)OCCC(C)C 34a_100000210254_200011216223 [0,3,0,0,0,0|0,0,0]=3 37680 B12R0.254 CCCCC(CC)OCCC(C)C 34a_100011215227_100000210312 [0,3,0,0,0,0|0,0,0]=3 37681 B12R0.254 CCCCC(CC)OCCC(C)C 7a_100000210254_200011216223 [0,3,0,0,0,0|0,0,0]=3 37682 B12R0.254 CCCCC(CC)OCCC(C)C 7a_100011215227_100000210626 [0,3,0,0,0,0|0,0,0]=3 37683 B12R0.254 CCCCC(CC)OCCC(C)O 34a_100011215227_100012276601 [0,3,0,0,0,0|0,0,0]=3 37684 B12R0.254 CCCCC(CC)OCCC(C)O 7a_100011215227_100012276601 [0,3,0,0,0,0|0,0,0]=3 37685 B12R0.254 CCCCC(CC)OCCC(F)F 34a_100103093639_200011216223 [0,3,0,0,0,0|1,0,0]=4 37686 B12R0.254 CCCCC(CC)OCCN(C)C 7a_100011215227_100000755713 [0,3,0,0,0,0|1,0,0]=4 37687 B12R0.254 CCCCC(CC)OCC[C@@H](C)N 34a_100000706166_200011216223 [0,3,0,0,0,0|0,0,0]=3 37688 B12R0.254 CCCCC(CC)OCOC(C)C 34a_100011215227_100000709892 [0,3,0,0,0,0|1,0,0]=4 37689 B12R0.254 CCCCC(CC)SCCC(C)C 62a_100000210312_200011216223 [0,3,0,0,0,0|0,1,0]=4 37690 B12R0.254 CCCCC(CC)SCCC(C)C 62a_200011216223_100000210312 [0,3,0,0,0,0|0,1,0]=4 37691 B12R0.254 CCCCC(CC)SCCC(C)O 62a_100012276601_200011216223 [0,3,0,0,0,0|0,1,0]=4 37692 B12R0.254 CCCCC(CC)SCCC(C)O 62a_200011216223_100012276601 [0,3,0,0,0,0|0,1,0]=4 37693 B12R0.254 CCCCN(CC)CCCC(C)C 2230a_100000207695_100011214892 [0,3,0,0,0,0|1,0,0]=4 37694 B12R0.254 CCCCN(CC)CCCC(C)C 269982a_100000207695_100011214892 [0,3,0,0,0,0|1,0,0]=4 37695 B12R0.254 CCCCN(CC)CCCC(C)O 2230a_100000207695_200000718107 [0,3,0,0,0,0|1,0,0]=4 37696 B12R0.254 CCCCN(CC)CCCC(C)O 269982a_100000207695_200000718107 [0,3,0,0,0,0|1,0,0]=4 37697 B12R0.254 CCCC[C@@H](CO)NCCC(C)C 2230a_100011934283_100000210312 [0,3,0,0,0,0|1,0,0]=4 37698 B12R0.254 CCCC[C@@H](CO)NCCC(C)C 269862a_100011934283_100000185833 [0,3,0,0,0,0|1,0,0]=4 37699 B12R0.254 CCCC[C@@H](CO)NCCC(C)C 34a_100011934283_100000210312 [0,3,0,0,0,0|1,0,0]=4 37700 B12R0.254 CCCC[C@@H](CO)NCCC(C)O 2230a_100011934283_100012276601 [0,3,0,0,0,0|1,0,0]=4 37701 B12R0.254 CCCC[C@@H](CO)NCCC(C)O 34a_100011934283_100012276601 [0,3,0,0,0,0|1,0,0]=4 37702 B12R0.254 CCOCC(CN)OCCC(C)C 34a_102515437182_100000210312 [0,3,0,0,0,0|1,0,0]=4 37703 B12R0.254 CCOCC(CN)OCCC(C)O 34a_102515437182_100012276601 [0,3,0,0,0,0|1,0,0]=4 37704 B12R0.331 C=C(C)CCOC(C)(C)CCCC 7a_100011219641_100000730704 [0,3,0,0,0,0|0,0,1]=4 37705 B12R0.331 CC(C)CCOC(C)(C)CCCBr 7a_100009888830_100000210626 [0,3,0,0,0,0|1,0,0]=4 37706 B12R0.331 CC(O)CCOC(C)(C)CCCBr 7a_100009888830_100012276601 [0,3,0,0,0,0|1,0,0]=4 37707 B12R0.331 CCCCC(C)(C)OCCC(=O)C 7a_100011219641_100000053229 [0,3,0,0,0,0|0,0,1]=4 37708 B12R0.331 CCCCC(C)(C)OCCC(C)C 7a_100011219641_100000210626 [0,3,0,0,0,0|0,0,0]=3 37709 B12R0.331 CCCCC(C)(C)OCCC(C)O 7a_100011219641_100012276601 [0,3,0,0,0,0|0,0,0]=3 37710 B12R0.331 CCCCC(C)(C)OCCN(C)C 7a_100011219641_100000755713 [0,3,0,0,0,0|1,0,0]=4 37711 B12R0.119 C#CCCCCOCCC(C)(C)C 34a_100000766709_100000755188 [0,3,0,0,0,0|0,0,1]=4 37712 B12R0.119 C#CCCCCOCCC(C)(C)C 7a_100000765024_100010269958 [0,3,0,0,0,0|0,0,1]=4 37713 B12R0.119 C#CCCCCOCCC(C)(C)C 7a_100000766709_100000755188 [0,3,0,0,0,0|0,0,1]=4 37714 B12R0.119 C#CCCCCOCCC(C)(C)O 34a_100000766709_100000702414 [0,3,0,0,0,0|0,0,1]=4 37715 B12R0.119 C#CCCCCOCCC(C)(C)O 7a_100000766709_100000702414 [0,3,0,0,0,0|0,0,1]=4 37716 B12R0.119 C#CCCCOCCCC(C)(C)O 34a_100000215630_100009888830 [0,3,0,0,0,0|0,0,1]=4 37717 B12R0.119 C#CCCCOCCCC(C)(C)O 7a_100000215630_100009888830 [0,3,0,0,0,0|0,0,1]=4 37718 B12R0.119 C/C=C/CCOCCCC(C)(C)O 34a_100016278192_100009888830 [0,3,0,0,0,0|0,0,1]=4 37719 B12R0.119 C=CCCCCOCCC(C)(C)C 34a_100000766645_100000755188 [0,3,0,0,0,0|0,0,1]=4 37720 B12R0.119 C=CCCCCOCCC(C)(C)C 7a_100000765024_100011215482 [0,3,0,0,0,0|0,0,1]=4 37721 B12R0.119 C=CCCCCOCCC(C)(C)C 7a_100000766645_100000755188 [0,3,0,0,0,0|0,0,1]=4 37722 B12R0.119 C=CCCCCOCCC(C)(C)O 34a_100000766645_100000702414 [0,3,0,0,0,0|0,0,1]=4 37723 B12R0.119 C=CCCCCOCCC(C)(C)O 7a_100000766645_100000702414 [0,3,0,0,0,0|0,0,1]=4 37724 B12R0.119 C=CCCCOCCCC(C)(C)O 34a_100000758997_100009888830 [0,3,0,0,0,0|0,0,1]=4 37725 B12R0.119 C=CCCCOCCCC(C)(C)O 7a_100000758997_100009888830 [0,3,0,0,0,0|0,0,1]=4 37726 B12R0.119 CC#CCCOCCCC(C)(C)O 34a_100000750427_100009888830 [0,3,0,0,0,0|0,0,1]=4 37727 B12R0.119 CC(C)(C)CCNCCCCCF 2230a_100000738805_100000729378 [0,3,0,0,0,0|1,0,0]=4 37728 B12R0.119 CC(C)(C)CCNCCCCCO 2230a_100000738805_100000746330 [0,3,0,0,0,0|1,0,0]=4 37729 B12R0.119 CC(C)(C)CCNCCCCCO 2230a_100000762737_100000755188 [0,3,0,0,0,0|1,0,0]=4 37730 B12R0.119 CC(C)(C)CCNCCCCCO 34a_100000762737_100000755188 [0,3,0,0,0,0|1,0,0]=4 37731 B12R0.119 CC(C)(C)CCOCCCCC#N 7a_100000765024_100000211819 [0,3,0,0,0,0|0,0,1]=4 37732 B12R0.119 CC(C)(C)CCOCCCCC=O 7a_100000765024_100000139335 [0,3,0,0,0,0|0,0,1]=4 37733 B12R0.119 CC(C)(C)CCOCCCCCBr 34a_100000746331_100000755188 [0,3,0,0,0,0|0,0,0]=3 37734 B12R0.119 CC(C)(C)CCOCCCCCBr 7a_100000746331_100000755188 [0,3,0,0,0,0|0,0,0]=3 37735 B12R0.119 CC(C)(C)CCOCCCCCCl 34a_100000746330_100000755188 [0,3,0,0,0,0|0,0,0]=3 37736 B12R0.119 CC(C)(C)CCOCCCCCCl 7a_100000746330_100000755188 [0,3,0,0,0,0|0,0,0]=3 37737 B12R0.119 CC(C)(C)CCOCCCCCF 7a_100000765024_100000729378 [0,3,0,0,0,0|0,0,0]=3 37738 B12R0.119 CC(C)(C)CCOCCCCCI 34a_200012148887_100000755188 [0,3,0,0,0,0|0,0,0]=3 37739 B12R0.119 CC(C)(C)CCOCCCCCI 7a_200012148887_100000755188 [0,3,0,0,0,0|0,0,0]=3 37740 B12R0.119 CC(C)(C)CCOCCCCCN 34a_100000762737_100000755188 [0,3,0,0,0,0|0,0,0]=3 37741 B12R0.119 CC(C)(C)CCOCCCCCO 7a_100000765024_100000746330 [0,3,0,0,0,0|0,0,0]=3 37742 B12R0.119 CC(C)(C)CCOCCOCCBr 34a_100000692535_100000755188 [0,3,0,0,0,0|1,0,0]=4 37743 B12R0.119 CC(C)(C)CCOCCOCCBr 7a_100000692535_100000755188 [0,3,0,0,0,0|1,0,0]=4 37744 B12R0.119 CC(C)(C)CCOCCOCCCl 34a_100011215305_100000755188 [0,3,0,0,0,0|1,0,0]=4 37745 B12R0.119 CC(C)(C)CCOCCOCCCl 7a_100011215305_100000755188 [0,3,0,0,0,0|1,0,0]=4 37746 B12R0.119 CC(C)(C)CCOCCOCCF 34a_200015357709_100000755188 [0,3,0,0,0,0|1,0,0]=4 37747 B12R0.119 CC(C)(C)CCOCCOCCF 7a_200015357709_100000755188 [0,3,0,0,0,0|1,0,0]=4 37748 B12R0.119 CC(C)(C)CCOCCOCCI 34a_100012149058_100000755188 [0,3,0,0,0,0|1,0,0]=4 37749 B12R0.119 CC(C)(C)CCOCCOCCI 7a_100012149058_100000755188 [0,3,0,0,0,0|1,0,0]=4 37750 B12R0.119 CC(C)(C)CCOCCOCCN 34a_100000211614_100000755188 [0,3,0,0,0,0|1,0,0]=4 37751 B12R0.119 CC(C)(C)CCOCCOCCO 7a_100000765024_100011215305 [0,3,0,0,0,0|1,0,0]=4 37752 B12R0.119 CC(C)(C)CCSCCCCCF 62a_100000729378_100000755188 [0,3,0,0,0,0|0,1,0]=4 37753 B12R0.119 CC(C)(C)CCSCCCCCF 62a_100000755188_100000729378 [0,3,0,0,0,0|0,1,0]=4 37754 B12R0.119 CC(C)(C)CCSCCCCCO 62a_100000746330_100000755188 [0,3,0,0,0,0|0,1,0]=4 37755 B12R0.119 CC(C)(C)CCSCCCCCO 62a_100000755188_100000746330 [0,3,0,0,0,0|0,1,0]=4 37756 B12R0.119 CC(C)(C)NCCCOCCCO 34a_100011310245_100000210625 [0,3,0,0,0,0|1,0,0]=4 37757 B12R0.119 CC(C)(C)OCCCOCCCN 34a_100011310245_100000210625 [0,3,0,0,0,0|1,0,0]=4 37758 B12R0.119 CC(C)(C)OCCOCCCCF 34a_100000693234_100000729493 [0,3,0,0,0,0|1,0,0]=4 37759 B12R0.119 CC(C)(C)OCCOCCCCF 7a_100000693234_100000729493 [0,3,0,0,0,0|1,0,0]=4 37760 B12R0.119 CC(C)(C)OCCOCCCCO 34a_100000693234_100011216708 [0,3,0,0,0,0|1,0,0]=4 37761 B12R0.119 CC(C)(C)OCCOCCCCO 7a_100000693234_100000210776 [0,3,0,0,0,0|1,0,0]=4 37762 B12R0.119 CC(C)(F)CCNCCCCCF 2230a_100016253952_100000729378 [0,3,0,0,0,0|1,0,0]=4 37763 B12R0.119 CC(C)(F)CCNCCCCCO 2230a_100016253952_100000746330 [0,3,0,0,0,0|1,0,0]=4 37764 B12R0.119 CC(C)(O)CCCNCCCCO 2230a_100000750430_100009888830 [0,3,0,0,0,0|1,0,0]=4 37765 B12R0.119 CC(C)(O)CCCNCCCCO 34a_100000750430_100009888830 [0,3,0,0,0,0|1,0,0]=4 37766 B12R0.119 CC(C)(O)CCCOCCCCBr 34a_100011216708_100009888830 [0,3,0,0,0,0|0,0,0]=3 37767 B12R0.119 CC(C)(O)CCCOCCCCCl 34a_100000210776_100009888830 [0,3,0,0,0,0|0,0,0]=3 37768 B12R0.119 CC(C)(O)CCCOCCCCCl 7a_100000210776_100009888830 [0,3,0,0,0,0|0,0,0]=3 37769 B12R0.119 CC(C)(O)CCCOCCCCF 34a_100011995726_100009888830 [0,3,0,0,0,0|0,0,0]=3 37770 B12R0.119 CC(C)(O)CCCOCCCCF 7a_100011995726_100009888830 [0,3,0,0,0,0|0,0,0]=3 37771 B12R0.119 CC(C)(O)CCCOCCCCI 34a_200012148704_100009888830 [0,3,0,0,0,0|0,0,0]=3 37772 B12R0.119 CC(C)(O)CCCOCCCCN 34a_100000750430_100009888830 [0,3,0,0,0,0|0,0,0]=3 37773 B12R0.119 CC(C)(O)CCCSCCCCF 62a_100000729493_100009888830 [0,3,0,0,0,0|0,1,0]=4 37774 B12R0.119 CC(C)(O)CCCSCCCCF 62a_100009888830_100000729493 [0,3,0,0,0,0|0,1,0]=4 37775 B12R0.119 CC(C)(O)CCCSCCCCO 62a_100000210776_100009888830 [0,3,0,0,0,0|0,1,0]=4 37776 B12R0.119 CC(C)(O)CCCSCCCCO 62a_100009888830_100000210776 [0,3,0,0,0,0|0,1,0]=4 37777 B12R0.119 CC(C)(O)CCNCCCCCO 2230a_100000762737_100000702414 [0,3,0,0,0,0|1,0,0]=4 37778 B12R0.119 CC(C)(O)CCNCCCCCO 34a_100000762737_100000702414 [0,3,0,0,0,0|1,0,0]=4 37779 B12R0.119 CC(C)(O)CCOCCCCCBr 34a_100000746331_100000702414 [0,3,0,0,0,0|0,0,0]=3 37780 B12R0.119 CC(C)(O)CCOCCCCCBr 7a_100000746331_100000702414 [0,3,0,0,0,0|0,0,0]=3 37781 B12R0.119 CC(C)(O)CCOCCCCCCl 34a_100000746330_100000702414 [0,3,0,0,0,0|0,0,0]=3 37782 B12R0.119 CC(C)(O)CCOCCCCCCl 7a_100000746330_100000702414 [0,3,0,0,0,0|0,0,0]=3 37783 B12R0.119 CC(C)(O)CCOCCCCCI 34a_200012148887_100000702414 [0,3,0,0,0,0|0,0,0]=3 37784 B12R0.119 CC(C)(O)CCOCCCCCI 7a_200012148887_100000702414 [0,3,0,0,0,0|0,0,0]=3 37785 B12R0.119 CC(C)(O)CCOCCCCCN 34a_100000762737_100000702414 [0,3,0,0,0,0|0,0,0]=3 37786 B12R0.119 CC(C)(O)CCOCCOCCBr 34a_100000692535_100000702414 [0,3,0,0,0,0|1,0,0]=4 37787 B12R0.119 CC(C)(O)CCOCCOCCBr 7a_100000692535_100000702414 [0,3,0,0,0,0|1,0,0]=4 37788 B12R0.119 CC(C)(O)CCOCCOCCCl 34a_100011215305_100000702414 [0,3,0,0,0,0|1,0,0]=4 37789 B12R0.119 CC(C)(O)CCOCCOCCCl 7a_100011215305_100000702414 [0,3,0,0,0,0|1,0,0]=4 37790 B12R0.119 CC(C)(O)CCOCCOCCF 34a_200015357709_100000702414 [0,3,0,0,0,0|1,0,0]=4 37791 B12R0.119 CC(C)(O)CCOCCOCCF 7a_200015357709_100000702414 [0,3,0,0,0,0|1,0,0]=4 37792 B12R0.119 CC(C)(O)CCOCCOCCI 34a_100012149058_100000702414 [0,3,0,0,0,0|1,0,0]=4 37793 B12R0.119 CC(C)(O)CCOCCOCCI 7a_100012149058_100000702414 [0,3,0,0,0,0|1,0,0]=4 37794 B12R0.119 CC(C)(O)CCOCCOCCN 34a_100000211614_100000702414 [0,3,0,0,0,0|1,0,0]=4 37795 B12R0.119 CC(C)(O)CCSCCCCCF 62a_100000702414_100000729378 [0,3,0,0,0,0|0,1,0]=4 37796 B12R0.119 CC(C)(O)CCSCCCCCF 62a_100000729378_100000702414 [0,3,0,0,0,0|0,1,0]=4 37797 B12R0.119 CC(C)(O)CCSCCCCCO 62a_100000702414_100000746330 [0,3,0,0,0,0|0,1,0]=4 37798 B12R0.119 CC(C)(O)CCSCCCCCO 62a_100000746330_100000702414 [0,3,0,0,0,0|0,1,0]=4 37799 B12R0.119 CC/C=C\CCOCCC(C)(C)C 34a_100016288707_100000755188 [0,3,0,0,0,0|0,0,1]=4 37800 B12R0.119 CC/C=C\CCOCCC(C)(C)C 7a_100000765024_100015370543 [0,3,0,0,0,0|0,0,1]=4 37801 B12R0.119 CC/C=C\CCOCCC(C)(C)C 7a_100016288707_100000755188 [0,3,0,0,0,0|0,0,1]=4 37802 B12R0.119 CC/C=C\CCOCCC(C)(C)O 34a_100016288707_100000702414 [0,3,0,0,0,0|0,0,1]=4 37803 B12R0.119 CC/C=C\CCOCCC(C)(C)O 7a_100016288707_100000702414 [0,3,0,0,0,0|0,0,1]=4 37804 B12R0.119 CC/C=C\COCCCC(C)(C)O 34a_100016268518_100009888830 [0,3,0,0,0,0|0,0,1]=4 37805 B12R0.119 CC=CCCCOCCC(C)(C)C 34a_100020645299_100000755188 [0,3,0,0,0,0|0,0,1]=4 37806 B12R0.119 CC=CCCCOCCC(C)(C)O 34a_100020645299_100000702414 [0,3,0,0,0,0|0,0,1]=4 37807 B12R0.119 CCC#CCCOCCC(C)(C)C 34a_100000036655_100000755188 [0,3,0,0,0,0|0,0,1]=4 37808 B12R0.119 CCC#CCCOCCC(C)(C)C 7a_100000036655_100000755188 [0,3,0,0,0,0|0,0,1]=4 37809 B12R0.119 CCC#CCCOCCC(C)(C)O 34a_100000036655_100000702414 [0,3,0,0,0,0|0,0,1]=4 37810 B12R0.119 CCC#CCCOCCC(C)(C)O 7a_100000036655_100000702414 [0,3,0,0,0,0|0,0,1]=4 37811 B12R0.119 CCC#CCOCCCC(C)(C)O 34a_100000032950_100009888830 [0,3,0,0,0,0|0,0,1]=4 37812 B12R0.119 CCC/C=C/COCCC(C)(C)C 34a_100016278788_100000755188 [0,3,0,0,0,0|0,0,1]=4 37813 B12R0.119 CCC/C=C/COCCC(C)(C)C 7a_100016278788_100000755188 [0,3,0,0,0,0|0,0,1]=4 37814 B12R0.119 CCC/C=C/COCCC(C)(C)O 34a_100016278788_100000702414 [0,3,0,0,0,0|0,0,1]=4 37815 B12R0.119 CCC/C=C/COCCC(C)(C)O 7a_100016278788_100000702414 [0,3,0,0,0,0|0,0,1]=4 37816 B12R0.119 CCCC#CCOCCC(C)(C)C 34a_100000034806_100000755188 [0,3,0,0,0,0|0,0,1]=4 37817 B12R0.119 CCCC#CCOCCC(C)(C)C 7a_100000034806_100000755188 [0,3,0,0,0,0|0,0,1]=4 37818 B12R0.119 CCCC#CCOCCC(C)(C)O 34a_100000034806_100000702414 [0,3,0,0,0,0|0,0,1]=4 37819 B12R0.119 CCCC#CCOCCC(C)(C)O 7a_100000034806_100000702414 [0,3,0,0,0,0|0,0,1]=4 37820 B12R0.119 CCCCCCCCNC(C)(C)C 2230a_100000715429_100000210759 [0,3,0,0,0,0|1,0,0]=4 37821 B12R0.119 CCCCCCCCNC(C)(C)C 34a_100000229939_100000210625 [0,3,0,0,0,0|1,0,0]=4 37822 B12R0.119 CCCCCCCCOC(C)(C)C 34a_100000210232_100000210625 [0,3,0,0,0,0|1,0,0]=4 37823 B12R0.119 CCCCCCCCOC(C)(C)C 34a_100015890283_100000210759 [0,3,0,0,0,0|1,0,0]=4 37824 B12R0.119 CCCCCCCCOC(C)(C)C 7a_100015890283_100000210759 [0,3,0,0,0,0|1,0,0]=4 37825 B12R0.119 CCCCCCCCSC(C)(C)C 62a_100000210759_100000211941 [0,3,0,0,0,0|1,0,0]=4 37826 B12R0.119 CCCCCCCCSC(C)(C)C 62a_100000211941_100000210317 [0,3,0,0,0,0|1,0,0]=4 37827 B12R0.119 CCCCCCCNCC(C)(C)C 2230a_100000743828_100000210681 [0,3,0,0,0,0|1,0,0]=4 37828 B12R0.119 CCCCCCCNCC(C)(C)C 270004a_100000229938_100011204126 [0,3,0,0,0,0|1,0,0]=4 37829 B12R0.119 CCCCCCCNCC(C)(C)F 2230a_100020643315_100000210681 [0,3,0,0,0,0|1,0,0]=4 37830 B12R0.119 CCCCCCCNCC(C)(C)O 2230a_100000751335_100000210681 [0,3,0,0,0,0|1,0,0]=4 37831 B12R0.119 CCCCCCCOCC(C)(C)C 34a_100000210272_100011219605 [0,3,0,0,0,0|1,0,0]=4 37832 B12R0.119 CCCCCCCOCC(C)(C)F 34a_100000210272_100011997219 [0,3,0,0,0,0|1,0,0]=4 37833 B12R0.119 CCCCCCCOCC(C)(C)F 34a_100000716592_100000210614 [0,3,0,0,0,0|1,0,0]=4 37834 B12R0.119 CCCCCCCOCC(C)(C)O 34a_100000210272_100000764493 [0,3,0,0,0,0|1,0,0]=4 37835 B12R0.119 CCCCCCCOCC(C)(C)O 7a_100000210272_100000764493 [0,3,0,0,0,0|1,0,0]=4 37836 B12R0.119 CCCCCCCOCC(C)(F)F 34a_100000068830_100000210614 [0,3,0,0,0,0|1,0,0]=4 37837 B12R0.119 CCCCCCCSCC(C)(C)C 62a_100000210614_100011219605 [0,3,0,0,0,0|1,0,0]=4 37838 B12R0.119 CCCCCCCSCC(C)(C)C 62a_100011219605_100000210316 [0,3,0,0,0,0|1,0,0]=4 37839 B12R0.119 CCCCCCCSCC(C)(C)F 62a_100000210614_100011997219 [0,3,0,0,0,0|1,0,0]=4 37840 B12R0.119 CCCCCCCSCC(C)(C)F 62a_100011997219_100000210316 [0,3,0,0,0,0|1,0,0]=4 37841 B12R0.119 CCCCCCCSCC(C)(C)O 62a_100000210614_100000764493 [0,3,0,0,0,0|1,0,0]=4 37842 B12R0.119 CCCCCCCSCC(C)(C)O 62a_100000764493_100000210316 [0,3,0,0,0,0|1,0,0]=4 37843 B12R0.119 CCCCCCNCCC(C)(C)C 2230a_100000210581_100000755188 [0,3,0,0,0,0|1,0,0]=4 37844 B12R0.119 CCCCCCNCCC(C)(C)C 2230a_100000738805_100000210314 [0,3,0,0,0,0|1,0,0]=4 37845 B12R0.119 CCCCCCNCCC(C)(C)F 2230a_100016253952_100000210314 [0,3,0,0,0,0|1,0,0]=4 37846 B12R0.119 CCCCCCNCCC(C)(C)O 2230a_100000210581_100000702414 [0,3,0,0,0,0|1,0,0]=4 37847 B12R0.119 CCCCCCOCCC(C)(C)C 34a_100000210259_100000755188 [0,3,0,0,0,0|0,0,0]=3 37848 B12R0.119 CCCCCCOCCC(C)(C)C 7a_100000210259_100000755188 [0,3,0,0,0,0|0,0,0]=3 37849 B12R0.119 CCCCCCOCCC(C)(C)C 7a_100000765024_100000210314 [0,3,0,0,0,0|0,0,0]=3 37850 B12R0.119 CCCCCCOCCC(C)(C)O 34a_100000210259_100000702414 [0,3,0,0,0,0|0,0,0]=3 37851 B12R0.119 CCCCCCOCCC(C)(C)O 7a_100000210259_100000702414 [0,3,0,0,0,0|0,0,0]=3 37852 B12R0.119 CCCCCCOCCC(F)(F)F 34a_100000210259_100011219754 [0,3,0,0,0,0|1,0,0]=4 37853 B12R0.119 CCCCCCOCCC(F)(F)F 34a_100000752437_100000210314 [0,3,0,0,0,0|1,0,0]=4 37854 B12R0.119 CCCCCCOCCC(F)(F)F 7a_100000210259_100011219754 [0,3,0,0,0,0|1,0,0]=4 37855 B12R0.119 CCCCCCOCCS(=O)(=O)C 34a_100000210259_100000731031 [0,3,0,0,0,0|1,0,0]=4 37856 B12R0.119 CCCCCCOCCS(=O)(=O)C 34a_100000211924_100000210314 [0,3,0,0,0,0|1,0,0]=4 37857 B12R0.119 CCCCCCOCCS(=O)(=O)C 7a_100000210259_100000230027 [0,3,0,0,0,0|1,0,0]=4 37858 B12R0.119 CCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210314 [0,3,0,0,0,0|1,0,0]=4 37859 B12R0.119 CCCCCCOCC[N+](C)(C)C 34a_100000210259_100000085578 [0,3,0,0,0,0|1,0,0]=4 37860 B12R0.119 CCCCCCOCC[N+](C)(C)C 7a_100000210259_100000085578 [0,3,0,0,0,0|1,0,0]=4 37861 B12R0.119 CCCCCCOCC[N+](C)(C)C 7a_200020618287_100000210314 [0,3,0,0,0,0|1,0,0]=4 37862 B12R0.119 CCCCCCOCC[Si](C)(C)C 34a_100000210259_200000733723 [0,3,0,0,0,0|0,1,0]=4 37863 B12R0.119 CCCCCCOCC[Si](C)(C)C 7a_100000039746_100000210314 [0,3,0,0,0,0|0,1,0]=4 37864 B12R0.119 CCCCCCOCC[Si](C)(C)C 7a_100000210259_200000733723 [0,3,0,0,0,0|0,1,0]=4 37865 B12R0.119 CCCCCCSCCC(C)(C)C 62a_100000210314_100000755188 [0,3,0,0,0,0|0,1,0]=4 37866 B12R0.119 CCCCCCSCCC(C)(C)C 62a_100000755188_100000210757 [0,3,0,0,0,0|0,1,0]=4 37867 B12R0.119 CCCCCCSCCC(C)(C)O 62a_100000210314_100000702414 [0,3,0,0,0,0|0,1,0]=4 37868 B12R0.119 CCCCCCSCCC(C)(C)O 62a_100000702414_100000210757 [0,3,0,0,0,0|0,1,0]=4 37869 B12R0.119 CCCCCNCCCC(C)(C)O 2230a_100000209983_100009888830 [0,3,0,0,0,0|1,0,0]=4 37870 B12R0.119 CCCCCNCCCC(F)(F)F 2230a_100000209983_100011215983 [0,3,0,0,0,0|1,0,0]=4 37871 B12R0.119 CCCCCNCCCC(F)(F)F 2230a_100000727188_100000210326 [0,3,0,0,0,0|1,0,0]=4 37872 B12R0.119 CCCCCNCCCC(F)(F)F 34a_100000727188_100000718602 [0,3,0,0,0,0|1,0,0]=4 37873 B12R0.119 CCCCCNCCCS(=O)(=O)C 2230a_100000209983_100000754308 [0,3,0,0,0,0|1,0,0]=4 37874 B12R0.119 CCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210326 [0,3,0,0,0,0|1,0,0]=4 37875 B12R0.119 CCCCCNCCCS(=O)(=O)C 34a_100000742409_100000718602 [0,3,0,0,0,0|1,0,0]=4 37876 B12R0.119 CCCCCNCCC[N+](C)(C)C 2230a_100000209983_100016990835 [0,3,0,0,0,0|1,0,0]=4 37877 B12R0.119 CCCCCNCCC[Si](C)(C)C 2230a_100000209983_100011219597 [0,3,0,0,0,0|1,0,0]=4 37878 B12R0.119 CCCCCNCCOC(C)(C)C 2230a_100000747557_100000210326 [0,3,0,0,0,0|1,0,0]=4 37879 B12R0.119 CCCCCNCCOC(C)(C)C 34a_100000224656_100000210625 [0,3,0,0,0,0|1,0,0]=4 37880 B12R0.119 CCCCCNCCSC(C)(C)C 2230a_100000689375_100000210326 [0,3,0,0,0,0|1,0,0]=4 37881 B12R0.119 CCCCCOCCCC(C)(C)O 34a_100000210253_100009888830 [0,3,0,0,0,0|0,0,0]=3 37882 B12R0.119 CCCCCOCCCC(C)(C)O 7a_100000210253_100009888830 [0,3,0,0,0,0|0,0,0]=3 37883 B12R0.119 CCCCCOCCCC(F)(F)F 34a_100000210253_100011215983 [0,3,0,0,0,0|0,0,0]=3 37884 B12R0.119 CCCCCOCCCC(F)(F)F 34a_100000749235_100000718602 [0,3,0,0,0,0|0,0,0]=3 37885 B12R0.119 CCCCCOCCCC(F)(F)F 7a_100000210253_100011216173 [0,3,0,0,0,0|0,0,0]=3 37886 B12R0.119 CCCCCOCCCS(=O)(=O)C 34a_100000210253_100000754308 [0,3,0,0,0,0|0,0,0]=3 37887 B12R0.119 CCCCCOCCCS(=O)(=O)C 34a_100000689940_100000718602 [0,3,0,0,0,0|0,0,0]=3 37888 B12R0.119 CCCCCOCCCS(=O)(=O)C 7a_100000210253_100000754308 [0,3,0,0,0,0|0,0,0]=3 37889 B12R0.119 CCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210326 [0,3,0,0,0,0|0,0,0]=3 37890 B12R0.119 CCCCCOCCCS(=O)(=O)N 34a_100000210253_100000750626 [0,3,0,0,0,0|1,0,0]=4 37891 B12R0.119 CCCCCOCCCS(=O)(=O)N 7a_100000210253_100000750626 [0,3,0,0,0,0|1,0,0]=4 37892 B12R0.119 CCCCCOCCCS(=O)(=O)[O-] 34a_100000210253_100009813499 [0,3,0,0,0,0|1,0,0]=4 37893 B12R0.119 CCCCCOCCC[N+](C)(C)C 34a_100000210253_100016990835 [0,3,0,0,0,0|0,0,0]=3 37894 B12R0.119 CCCCCOCCC[N+](C)(C)C 7a_100000210253_100016990835 [0,3,0,0,0,0|0,0,0]=3 37895 B12R0.119 CCCCCOCCC[Si](C)(C)C 34a_100000210253_100011219597 [0,3,0,0,0,0|0,0,0]=3 37896 B12R0.119 CCCCCOCCC[Si](C)(C)C 7a_100000210253_100011219597 [0,3,0,0,0,0|0,0,0]=3 37897 B12R0.119 CCCCCOCCC[Si](C)(C)C 7a_200011215415_100000210326 [0,3,0,0,0,0|0,0,0]=3 37898 B12R0.119 CCCCCOCCNS(=O)(=O)C 7a_100000210253_100000754112 [0,3,0,0,0,0|1,0,0]=4 37899 B12R0.119 CCCCCOCCOC(C)(C)C 34a_100000693234_100000718602 [0,3,0,0,0,0|0,0,0]=3 37900 B12R0.119 CCCCCOCCOC(C)(C)C 34a_100011215259_100000210625 [0,3,0,0,0,0|0,0,0]=3 37901 B12R0.119 CCCCCOCCOC(C)(C)C 7a_100000693234_100000210326 [0,3,0,0,0,0|0,0,0]=3 37902 B12R0.119 CCCCCOCCOC(F)(F)F 34a_100000761981_100000718602 [0,3,0,0,0,0|1,0,0]=4 37903 B12R0.119 CCCCCOCCOC(F)(F)F 34a_100011215259_200103152311 [0,3,0,0,0,0|1,0,0]=4 37904 B12R0.119 CCCCCOCCOC(F)(F)F 7a_100011215259_200000243211 [0,3,0,0,0,0|1,0,0]=4 37905 B12R0.119 CCCCCOCCOS(=O)(=O)C 34a_100000210253_200000036756 [0,3,0,0,0,0|1,0,0]=4 37906 B12R0.119 CCCCCOCCOS(=O)(=O)C 7a_100000210253_200000036756 [0,3,0,0,0,0|1,0,0]=4 37907 B12R0.119 CCCCCOCCO[Si](C)(C)C 34a_100000210253_200000032530 [0,3,0,0,0,0|0,1,0]=4 37908 B12R0.119 CCCCCOCCO[Si](C)(C)C 7a_100000210253_200000032530 [0,3,0,0,0,0|0,1,0]=4 37909 B12R0.119 CCCCCSCCCC(C)(C)O 62a_100000210326_100009888830 [0,3,0,0,0,0|0,1,0]=4 37910 B12R0.119 CCCCCSCCCC(C)(C)O 62a_100009888830_100000210326 [0,3,0,0,0,0|0,1,0]=4 37911 B12R0.119 CCCCCSCCCC(F)(F)F 62a_100000210326_100011216173 [0,3,0,0,0,0|0,1,0]=4 37912 B12R0.119 CCCCCSCCCC(F)(F)F 62a_100011216173_100000210326 [0,3,0,0,0,0|0,1,0]=4 37913 B12R0.119 CCCCCSCCCS(=O)(=O)C 62a_100000210326_100000754308 [0,3,0,0,0,0|0,1,0]=4 37914 B12R0.119 CCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210326 [0,3,0,0,0,0|0,1,0]=4 37915 B12R0.119 CCCCCSCCC[N+](C)(C)C 62a_100000210326_100016990835 [0,3,0,0,0,0|0,1,0]=4 37916 B12R0.119 CCCCCSCCC[N+](C)(C)C 62a_100016990835_100000210326 [0,3,0,0,0,0|0,1,0]=4 37917 B12R0.119 CCCCCSCCC[Si](C)(C)C 62a_100000210326_100011219597 [0,3,0,0,0,0|0,1,0]=4 37918 B12R0.119 CCCCCSCCC[Si](C)(C)C 62a_100011219597_100000210326 [0,3,0,0,0,0|0,1,0]=4 37919 B12R0.119 CCCCNCCCCC(F)(F)F 2230a_100000102301_100000692467 [0,3,0,0,0,0|1,0,0]=4 37920 B12R0.119 CCCCNCCCCC(F)(F)F 7a_106832991798_100000692467 [0,3,0,0,0,0|1,0,0]=4 37921 B12R0.119 CCCCNCCCOC(C)(C)C 2230a_100011250582_100000210211 [0,3,0,0,0,0|1,0,0]=4 37922 B12R0.119 CCCCNCOCC[Si](C)(C)C 2230a_100000102301_100000032501 [0,3,0,0,0,0|0,1,0]=4 37923 B12R0.119 CCCCOCCCCC(F)(F)F 34a_100000210227_100000692467 [0,3,0,0,0,0|0,0,0]=3 37924 B12R0.119 CCCCOCCCCC(F)(F)F 34a_100000749236_100000210210 [0,3,0,0,0,0|0,0,0]=3 37925 B12R0.119 CCCCOCCCCC(F)(F)F 7a_100000210227_100000692467 [0,3,0,0,0,0|0,0,0]=3 37926 B12R0.119 CCCCOCCCCC(F)(F)F 7a_100000749236_100000210211 [0,3,0,0,0,0|0,0,0]=3 37927 B12R0.119 CCCCOCCCC[Si](C)(C)C 7a_200009881916_100000210211 [0,3,0,0,0,0|0,0,0]=3 37928 B12R0.119 CCCCOCCCNC(C)(C)C 34a_200000211371_100000210625 [0,3,0,0,0,0|0,0,0]=3 37929 B12R0.119 CCCCOCCCNC(F)(F)F 34a_200000211371_200103152311 [0,3,0,0,0,0|1,0,0]=4 37930 B12R0.119 CCCCOCCCNS(=O)(=O)C 40a_200000211371_100000738038 [0,3,0,0,0,0|1,0,0]=4 37931 B12R0.119 CCCCOCCCOC(C)(C)C 34a_200011215613_100000210625 [0,3,0,0,0,0|0,0,0]=3 37932 B12R0.119 CCCCOCCCOC(F)(F)F 34a_200011215613_200103152311 [0,3,0,0,0,0|1,0,0]=4 37933 B12R0.119 CCCCOCCCOC(F)(F)F 7a_200011215613_200000243211 [0,3,0,0,0,0|1,0,0]=4 37934 B12R0.119 CCCCOCCNCC(C)(C)C 2230a_100000743828_100000743108 [0,3,0,0,0,0|0,0,0]=3 37935 B12R0.119 CCCCOCCNCC(C)(C)F 2230a_100020643315_100000743108 [0,3,0,0,0,0|0,0,0]=3 37936 B12R0.119 CCCCOCCNCC(C)(C)O 2230a_100000751335_100000743108 [0,3,0,0,0,0|0,0,0]=3 37937 B12R0.119 CCCCOCCNCC(F)(F)F 34a_100000717047_100000743108 [0,3,0,0,0,0|1,0,0]=4 37938 B12R0.119 CCCCOCCNCC(F)(F)F 34a_200000739120_100000210210 [0,3,0,0,0,0|1,0,0]=4 37939 B12R0.119 CCCCOCCOCC(C)(C)C 34a_100000210238_100011219605 [0,3,0,0,0,0|0,0,0]=3 37940 B12R0.119 CCCCOCCOCC(C)(C)F 34a_100000210238_100011997219 [0,3,0,0,0,0|0,0,0]=3 37941 B12R0.119 CCCCOCCOCC(C)(C)F 34a_100000716592_100000743108 [0,3,0,0,0,0|0,0,0]=3 37942 B12R0.119 CCCCOCCOCC(C)(C)O 34a_100000210238_100000764493 [0,3,0,0,0,0|0,0,0]=3 37943 B12R0.119 CCCCOCCOCC(C)(C)O 7a_100000210238_100000764493 [0,3,0,0,0,0|0,0,0]=3 37944 B12R0.119 CCCCOCCOCC(C)(F)F 34a_100000068830_100000743108 [0,3,0,0,0,0|0,0,0]=3 37945 B12R0.119 CCCCOCCOCC(F)(F)Br 34a_100011217949_100000743108 [0,3,0,0,0,0|1,0,0]=4 37946 B12R0.119 CCCCOCCOCC(F)(F)Cl 34a_100000734434_100000743108 [0,3,0,0,0,0|1,0,0]=4 37947 B12R0.119 CCCCOCCOCC(F)(F)F 34a_100000210227_200011259466 [0,3,0,0,0,0|1,0,0]=4 37948 B12R0.119 CCCCOCCOCC(F)(F)F 34a_100000210435_100000743108 [0,3,0,0,0,0|1,0,0]=4 37949 B12R0.119 CCCCOCCOCC(F)(F)F 34a_100000754170_100000210210 [0,3,0,0,0,0|1,0,0]=4 37950 B12R0.119 CCCCOCCOCC(F)(F)F 7a_100000210227_200011259466 [0,3,0,0,0,0|1,0,0]=4 37951 B12R0.119 CCCCOCCOC[Si](C)(C)C 7a_100000210238_100000233785 [0,3,0,0,0,0|0,1,0]=4 37952 B12R0.119 CCCCOCCSCC(C)(C)C 62a_100000743108_100011219605 [0,3,0,0,0,0|0,0,0]=3 37953 B12R0.119 CCCCOCCSCC(C)(C)C 62a_100011219605_100000743108 [0,3,0,0,0,0|0,0,0]=3 37954 B12R0.119 CCCCOCCSCC(C)(C)F 62a_100000743108_100011997219 [0,3,0,0,0,0|0,0,0]=3 37955 B12R0.119 CCCCOCCSCC(C)(C)F 62a_100011997219_100000743108 [0,3,0,0,0,0|0,0,0]=3 37956 B12R0.119 CCCCOCCSCC(C)(C)O 62a_100000743108_100000764493 [0,3,0,0,0,0|0,0,0]=3 37957 B12R0.119 CCCCOCCSCC(C)(C)O 62a_100000764493_100000743108 [0,3,0,0,0,0|0,0,0]=3 37958 B12R0.119 CCCCOCCSCC(F)(F)F 62a_100000743108_100000763148 [0,3,0,0,0,0|1,0,0]=4 37959 B12R0.119 CCCCOCCSCC(F)(F)F 62a_100000763148_100000743108 [0,3,0,0,0,0|1,0,0]=4 37960 B12R0.119 CCCCOCCSC[N+](C)(C)C 62a_100000743108_200000036245 [0,3,0,0,0,0|1,0,0]=4 37961 B12R0.119 CCCCOCCSC[N+](C)(C)C 62a_200000036245_100000743108 [0,3,0,0,0,0|1,0,0]=4 37962 B12R0.119 CCCCOCCSC[Si](C)(C)C 62a_100000037933_100000743108 [0,3,0,0,0,0|0,1,0]=4 37963 B12R0.119 CCCCOCCSC[Si](C)(C)C 62a_100000743108_100000037933 [0,3,0,0,0,0|0,1,0]=4 37964 B12R0.119 CCCCOCNCCC(C)(C)C 2230a_100000738805_100011995733 [0,3,0,0,0,0|0,0,0]=3 37965 B12R0.119 CCCCOCNCCC(C)(C)F 2230a_100016253952_100011995733 [0,3,0,0,0,0|0,0,0]=3 37966 B12R0.119 CCCCOCNCCC(F)(F)F 2230a_100000740434_100011995733 [0,3,0,0,0,0|1,0,0]=4 37967 B12R0.119 CCCCOCNCCC(F)(F)F 34a_100000740434_100011995733 [0,3,0,0,0,0|1,0,0]=4 37968 B12R0.119 CCCCOCNCCS(=O)(=O)C 2230a_100000740961_100011995733 [0,3,0,0,0,0|1,0,0]=4 37969 B12R0.119 CCCCOCNCCS(=O)(=O)C 34a_100000740961_100011995733 [0,3,0,0,0,0|1,0,0]=4 37970 B12R0.119 CCCCOCOCCC(F)(F)F 34a_100000752437_100011995733 [0,3,0,0,0,0|1,0,0]=4 37971 B12R0.119 CCCCOCOCCS(=O)(=O)C 34a_100000211924_100011995733 [0,3,0,0,0,0|1,0,0]=4 37972 B12R0.119 CCCCOCOCC[Si](C)(C)C 34a_100000210227_100000032501 [0,3,0,0,0,0|0,1,0]=4 37973 B12R0.119 CCCCOCSCCC(C)(C)C 62a_100000755188_100011995733 [0,3,0,0,0,0|0,0,0]=3 37974 B12R0.119 CCCCOCSCCC(C)(C)C 62a_100011995733_100000755188 [0,3,0,0,0,0|0,0,0]=3 37975 B12R0.119 CCCCOCSCCC(C)(C)O 62a_100000702414_100011995733 [0,3,0,0,0,0|0,0,0]=3 37976 B12R0.119 CCCCOCSCCC(C)(C)O 62a_100011995733_100000702414 [0,3,0,0,0,0|0,0,0]=3 37977 B12R0.119 CCCCOCSCCC(F)(F)F 62a_100011219754_100011995733 [0,3,0,0,0,0|1,0,0]=4 37978 B12R0.119 CCCCOCSCCC(F)(F)F 62a_100011995733_100011219754 [0,3,0,0,0,0|1,0,0]=4 37979 B12R0.119 CCCCOCSCCS(=O)(=O)C 62a_100000731031_100011995733 [0,3,0,0,0,0|1,0,0]=4 37980 B12R0.119 CCCCOCSCCS(=O)(=O)C 62a_100011995733_100000230027 [0,3,0,0,0,0|1,0,0]=4 37981 B12R0.119 CCCCOCSCC[N+](C)(C)C 62a_100000085578_100011995733 [0,3,0,0,0,0|1,0,0]=4 37982 B12R0.119 CCCCOCSCC[N+](C)(C)C 62a_100011995733_100000085578 [0,3,0,0,0,0|1,0,0]=4 37983 B12R0.119 CCCCOCSCC[Si](C)(C)C 62a_100011995733_200000733723 [0,3,0,0,0,0|0,1,0]=4 37984 B12R0.119 CCCCOCSCC[Si](C)(C)C 62a_200000733723_100011995733 [0,3,0,0,0,0|0,1,0]=4 37985 B12R0.119 CCCCSCCCCC(F)(F)F 62a_100000210211_100000692467 [0,3,0,0,0,0|0,1,0]=4 37986 B12R0.119 CCCCSCCCCC(F)(F)F 62a_100000692467_100000210210 [0,3,0,0,0,0|0,1,0]=4 37987 B12R0.119 CCCCSCCNCC(C)(C)C 270004a_100025743550_100011204126 [0,3,0,0,0,0|0,1,0]=4 37988 B12R0.119 CCCCSCCOCC(C)(C)C 34a_200000230436_100011219605 [0,3,0,0,0,0|0,1,0]=4 37989 B12R0.119 CCCCSCCOCC(C)(C)F 34a_200000230436_100011997219 [0,3,0,0,0,0|0,1,0]=4 37990 B12R0.119 CCCCSCCOCC(C)(C)O 34a_200000230436_100000764493 [0,3,0,0,0,0|0,1,0]=4 37991 B12R0.119 CCCCSCCOCC(C)(C)O 7a_200000230436_100000764493 [0,3,0,0,0,0|0,1,0]=4 37992 B12R0.119 CCCCSCOCC[Si](C)(C)C 62a_100000032501_100000210210 [0,3,0,0,0,0|0,1,0]=4 37993 B12R0.119 CCCCSCOCC[Si](C)(C)C 62a_100000210211_100000032501 [0,3,0,0,0,0|0,1,0]=4 37994 B12R0.119 CCCOCCCCCC(C)(C)O 34a_100000210258_100010402123 [0,3,0,0,0,0|1,0,0]=4 37995 B12R0.119 CCCOCCNCCC(C)(C)C 2230a_100000738805_100011215938 [0,3,0,0,0,0|1,0,0]=4 37996 B12R0.119 CCCOCCNCCC(C)(C)C 2230a_100161115042_100000755188 [0,3,0,0,0,0|1,0,0]=4 37997 B12R0.119 CCCOCCNCCC(C)(C)C 34a_100161115042_100000755188 [0,3,0,0,0,0|1,0,0]=4 37998 B12R0.119 CCCOCCNCCC(C)(C)F 2230a_100016253952_100011215938 [0,3,0,0,0,0|1,0,0]=4 37999 B12R0.119 CCCOCCNCCC(C)(C)O 2230a_100161115042_100000702414 [0,3,0,0,0,0|1,0,0]=4 38000 B12R0.119 CCCOCCNCCC(C)(C)O 34a_100161115042_100000702414 [0,3,0,0,0,0|1,0,0]=4 38001 B12R0.119 CCCOCCOCCC(C)(C)C 34a_100000752267_100000755188 [0,3,0,0,0,0|0,0,0]=3 38002 B12R0.119 CCCOCCOCCC(C)(C)C 7a_100000752267_100000755188 [0,3,0,0,0,0|0,0,0]=3 38003 B12R0.119 CCCOCCOCCC(C)(C)C 7a_100000765024_100011215938 [0,3,0,0,0,0|0,0,0]=3 38004 B12R0.119 CCCOCCOCCC(C)(C)O 34a_100000752267_100000702414 [0,3,0,0,0,0|0,0,0]=3 38005 B12R0.119 CCCOCCOCCC(C)(C)O 7a_100000752267_100000702414 [0,3,0,0,0,0|0,0,0]=3 38006 B12R0.119 CCCOCCOCCC(F)(F)F 34a_100000752267_100011219754 [0,3,0,0,0,0|1,0,0]=4 38007 B12R0.119 CCCOCCOCCC(F)(F)F 34a_100000752437_100011215938 [0,3,0,0,0,0|1,0,0]=4 38008 B12R0.119 CCCOCCOCCC(F)(F)F 7a_100000752267_100011219754 [0,3,0,0,0,0|1,0,0]=4 38009 B12R0.119 CCCOCCOCCS(=O)(=O)C 34a_100000211924_100011215938 [0,3,0,0,0,0|1,0,0]=4 38010 B12R0.119 CCCOCCOCCS(=O)(=O)C 34a_100000752267_100000731031 [0,3,0,0,0,0|1,0,0]=4 38011 B12R0.119 CCCOCCOCCS(=O)(=O)C 7a_100000211924_100011215938 [0,3,0,0,0,0|1,0,0]=4 38012 B12R0.119 CCCOCCOCCS(=O)(=O)C 7a_100000752267_100000230027 [0,3,0,0,0,0|1,0,0]=4 38013 B12R0.119 CCCOCCOCC[N+](C)(C)C 34a_100000752267_100000085578 [0,3,0,0,0,0|1,0,0]=4 38014 B12R0.119 CCCOCCOCC[N+](C)(C)C 7a_100000752267_100000085578 [0,3,0,0,0,0|1,0,0]=4 38015 B12R0.119 CCCOCCOCC[N+](C)(C)C 7a_200020618287_100011215938 [0,3,0,0,0,0|1,0,0]=4 38016 B12R0.119 CCCOCCOCC[Si](C)(C)C 34a_100000752267_200000733723 [0,3,0,0,0,0|0,1,0]=4 38017 B12R0.119 CCCOCCOCC[Si](C)(C)C 7a_100000039746_100011215938 [0,3,0,0,0,0|0,1,0]=4 38018 B12R0.119 CCCOCCOCC[Si](C)(C)C 7a_100000752267_200000733723 [0,3,0,0,0,0|0,1,0]=4 38019 B12R0.119 CCCOCCSCCC(C)(C)C 62a_100000755188_100011215938 [0,3,0,0,0,0|0,1,0]=4 38020 B12R0.119 CCCOCCSCCC(C)(C)C 62a_100011215938_100000755188 [0,3,0,0,0,0|0,1,0]=4 38021 B12R0.119 CCCOCCSCCC(C)(C)O 62a_100000702414_100011215938 [0,3,0,0,0,0|0,1,0]=4 38022 B12R0.119 CCCOCCSCCC(C)(C)O 62a_100011215938_100000702414 [0,3,0,0,0,0|0,1,0]=4 38023 B12R0.119 CCCSCCCCCC(C)(C)O 62a_100000210303_100010402123 [0,3,0,0,0,0|1,0,0]=4 38024 B12R0.119 CCCSCCCCCC(C)(C)O 62a_100010402123_100000210303 [0,3,0,0,0,0|1,0,0]=4 38025 B12R0.119 CCCSCCNCCC(C)(C)C 2230a_100020603323_100000755188 [0,3,0,0,0,0|1,0,0]=4 38026 B12R0.119 CCCSCCNCCC(C)(C)O 2230a_100020603323_100000702414 [0,3,0,0,0,0|1,0,0]=4 38027 B12R0.119 CCCSCCOCCC(C)(C)C 34a_200000230433_100000755188 [0,3,0,0,0,0|0,0,0]=3 38028 B12R0.119 CCCSCCOCCC(C)(C)C 7a_200000230433_100000755188 [0,3,0,0,0,0|0,0,0]=3 38029 B12R0.119 CCCSCCOCCC(C)(C)O 34a_200000230433_100000702414 [0,3,0,0,0,0|0,0,0]=3 38030 B12R0.119 CCCSCCOCCC(C)(C)O 7a_200000230433_100000702414 [0,3,0,0,0,0|0,0,0]=3 38031 B12R0.119 CCCSCCOCCC(F)(F)F 34a_200000230433_100011219754 [0,3,0,0,0,0|1,0,0]=4 38032 B12R0.119 CCCSCCOCCC(F)(F)F 7a_200000230433_100011219754 [0,3,0,0,0,0|1,0,0]=4 38033 B12R0.119 CCCSCCOCCS(=O)(=O)C 34a_200000230433_100000731031 [0,3,0,0,0,0|1,0,0]=4 38034 B12R0.119 CCCSCCOCCS(=O)(=O)C 7a_200000230433_100000230027 [0,3,0,0,0,0|1,0,0]=4 38035 B12R0.119 CCCSCCOCC[N+](C)(C)C 34a_200000230433_100000085578 [0,3,0,0,0,0|1,0,0]=4 38036 B12R0.119 CCCSCCOCC[N+](C)(C)C 7a_200000230433_100000085578 [0,3,0,0,0,0|1,0,0]=4 38037 B12R0.119 CCCSCCOCC[Si](C)(C)C 34a_200000230433_200000733723 [0,3,0,0,0,0|0,1,0]=4 38038 B12R0.119 CCCSCCOCC[Si](C)(C)C 7a_200000230433_200000733723 [0,3,0,0,0,0|0,1,0]=4 38039 B12R0.119 CCOCCCNCCC(C)(C)C 2230a_100000210961_100000755188 [0,3,0,0,0,0|1,0,0]=4 38040 B12R0.119 CCOCCCNCCC(C)(C)C 2230a_100000738805_100012232248 [0,3,0,0,0,0|1,0,0]=4 38041 B12R0.119 CCOCCCNCCC(C)(C)C 34a_100000210961_100000755188 [0,3,0,0,0,0|1,0,0]=4 38042 B12R0.119 CCOCCCNCCC(C)(C)F 2230a_100016253952_100012232248 [0,3,0,0,0,0|1,0,0]=4 38043 B12R0.119 CCOCCCNCCC(C)(C)O 2230a_100000210961_100000702414 [0,3,0,0,0,0|1,0,0]=4 38044 B12R0.119 CCOCCCNCCC(C)(C)O 34a_100000210961_100000702414 [0,3,0,0,0,0|1,0,0]=4 38045 B12R0.119 CCOCCCOCCC(C)(C)C 34a_100000757476_100000755188 [0,3,0,0,0,0|0,0,0]=3 38046 B12R0.119 CCOCCCOCCC(C)(C)C 7a_100000757476_100000755188 [0,3,0,0,0,0|0,0,0]=3 38047 B12R0.119 CCOCCCOCCC(C)(C)C 7a_100000765024_100012232248 [0,3,0,0,0,0|0,0,0]=3 38048 B12R0.119 CCOCCCOCCC(C)(C)O 34a_100000757476_100000702414 [0,3,0,0,0,0|0,0,0]=3 38049 B12R0.119 CCOCCCOCCC(C)(C)O 7a_100000757476_100000702414 [0,3,0,0,0,0|0,0,0]=3 38050 B12R0.119 CCOCCCOCCC(F)(F)F 34a_100000752437_100012232248 [0,3,0,0,0,0|1,0,0]=4 38051 B12R0.119 CCOCCCOCCC(F)(F)F 34a_100000757476_100011219754 [0,3,0,0,0,0|1,0,0]=4 38052 B12R0.119 CCOCCCOCCC(F)(F)F 7a_100000757476_100011219754 [0,3,0,0,0,0|1,0,0]=4 38053 B12R0.119 CCOCCCOCCS(=O)(=O)C 34a_100000211924_100012232248 [0,3,0,0,0,0|1,0,0]=4 38054 B12R0.119 CCOCCCOCCS(=O)(=O)C 34a_100000757476_100000731031 [0,3,0,0,0,0|1,0,0]=4 38055 B12R0.119 CCOCCCOCCS(=O)(=O)C 7a_100000211924_100012232248 [0,3,0,0,0,0|1,0,0]=4 38056 B12R0.119 CCOCCCOCCS(=O)(=O)C 7a_100000757476_100000230027 [0,3,0,0,0,0|1,0,0]=4 38057 B12R0.119 CCOCCCOCC[N+](C)(C)C 34a_100000757476_100000085578 [0,3,0,0,0,0|1,0,0]=4 38058 B12R0.119 CCOCCCOCC[N+](C)(C)C 7a_100000757476_100000085578 [0,3,0,0,0,0|1,0,0]=4 38059 B12R0.119 CCOCCCOCC[N+](C)(C)C 7a_200020618287_100012232248 [0,3,0,0,0,0|1,0,0]=4 38060 B12R0.119 CCOCCCOCC[Si](C)(C)C 34a_100000757476_200000733723 [0,3,0,0,0,0|0,1,0]=4 38061 B12R0.119 CCOCCCOCC[Si](C)(C)C 7a_100000039746_100012232248 [0,3,0,0,0,0|0,1,0]=4 38062 B12R0.119 CCOCCCOCC[Si](C)(C)C 7a_100000757476_200000733723 [0,3,0,0,0,0|0,1,0]=4 38063 B12R0.119 CCOCCCSCCC(C)(C)C 62a_100000755188_100012232248 [0,3,0,0,0,0|0,1,0]=4 38064 B12R0.119 CCOCCCSCCC(C)(C)C 62a_100012232248_100000755188 [0,3,0,0,0,0|0,1,0]=4 38065 B12R0.119 CCOCCCSCCC(C)(C)O 62a_100000702414_100012232248 [0,3,0,0,0,0|0,1,0]=4 38066 B12R0.119 CCOCCCSCCC(C)(C)O 62a_100012232248_100000702414 [0,3,0,0,0,0|0,1,0]=4 38067 B12R0.119 CCOCCNCCCC(C)(C)O 2230a_102516460346_100009888830 [0,3,0,0,0,0|1,0,0]=4 38068 B12R0.119 CCOCCNCCCC(C)(C)O 34a_102516460346_100009888830 [0,3,0,0,0,0|1,0,0]=4 38069 B12R0.119 CCOCCOCCCC(C)(C)O 34a_100000210136_100009888830 [0,3,0,0,0,0|0,0,0]=3 38070 B12R0.119 CCOCCOCCCC(C)(C)O 7a_100000210136_100009888830 [0,3,0,0,0,0|0,0,0]=3 38071 B12R0.119 CCOCCOCCCC(F)(F)F 34a_100000210136_100011215983 [0,3,0,0,0,0|1,0,0]=4 38072 B12R0.119 CCOCCOCCCC(F)(F)F 34a_100000749235_100000210147 [0,3,0,0,0,0|1,0,0]=4 38073 B12R0.119 CCOCCOCCCC(F)(F)F 7a_100000210136_100011216173 [0,3,0,0,0,0|1,0,0]=4 38074 B12R0.119 CCOCCOCCCS(=O)(=O)C 34a_100000210136_100000754308 [0,3,0,0,0,0|1,0,0]=4 38075 B12R0.119 CCOCCOCCCS(=O)(=O)C 34a_100000689940_100000210147 [0,3,0,0,0,0|1,0,0]=4 38076 B12R0.119 CCOCCOCCCS(=O)(=O)C 7a_100000210136_100000754308 [0,3,0,0,0,0|1,0,0]=4 38077 B12R0.119 CCOCCOCCCS(=O)(=O)C 7a_100000689940_100011215890 [0,3,0,0,0,0|1,0,0]=4 38078 B12R0.119 CCOCCOCCC[N+](C)(C)C 34a_100000210136_100016990835 [0,3,0,0,0,0|1,0,0]=4 38079 B12R0.119 CCOCCOCCC[N+](C)(C)C 7a_100000210136_100016990835 [0,3,0,0,0,0|1,0,0]=4 38080 B12R0.119 CCOCCOCCC[Si](C)(C)C 34a_100000210136_100011219597 [0,3,0,0,0,0|0,1,0]=4 38081 B12R0.119 CCOCCOCCC[Si](C)(C)C 7a_100000210136_100011219597 [0,3,0,0,0,0|0,1,0]=4 38082 B12R0.119 CCOCCOCCC[Si](C)(C)C 7a_200011215415_100011215890 [0,3,0,0,0,0|0,1,0]=4 38083 B12R0.119 CCOCCOCCNC(C)(C)C 2230a_100000715429_100011211534 [0,3,0,0,0,0|1,0,0]=4 38084 B12R0.119 CCOCCOCCNC(C)(C)C 34a_100102712874_100000210625 [0,3,0,0,0,0|1,0,0]=4 38085 B12R0.119 CCOCCOCCOC(C)(C)C 34a_100000210240_100000210625 [0,3,0,0,0,0|1,0,0]=4 38086 B12R0.119 CCOCCOCCOC(C)(C)C 34a_100000693234_100000210147 [0,3,0,0,0,0|1,0,0]=4 38087 B12R0.119 CCOCCOCCOC(C)(C)C 34a_100011997631_100000210202 [0,3,0,0,0,0|1,0,0]=4 38088 B12R0.119 CCOCCOCCOC(C)(C)C 34a_100015890283_100011211534 [0,3,0,0,0,0|1,0,0]=4 38089 B12R0.119 CCOCCOCCOC(C)(C)C 7a_100000693234_100011215890 [0,3,0,0,0,0|1,0,0]=4 38090 B12R0.119 CCOCCOCCOC(C)(C)C 7a_100011997631_100000210202 [0,3,0,0,0,0|1,0,0]=4 38091 B12R0.119 CCOCCOCCOC(C)(C)C 7a_100015890283_100011211534 [0,3,0,0,0,0|1,0,0]=4 38092 B12R0.119 CCOCCOCCSC(C)(C)C 62a_100000211941_100011211534 [0,3,0,0,0,0|1,0,0]=4 38093 B12R0.119 CCOCCOCCSC(C)(C)C 62a_100011211534_100000211941 [0,3,0,0,0,0|1,0,0]=4 38094 B12R0.119 CCOCCSCCCC(C)(C)O 62a_100000210147_100009888830 [0,3,0,0,0,0|0,1,0]=4 38095 B12R0.119 CCOCCSCCCC(C)(C)O 62a_100009888830_100011215890 [0,3,0,0,0,0|0,1,0]=4 38096 B12R0.119 CCSCCCOCCC(C)(C)C 34a_100011216438_100000755188 [0,3,0,0,0,0|0,0,0]=3 38097 B12R0.119 CCSCCCOCCC(C)(C)C 7a_100011216438_100000755188 [0,3,0,0,0,0|0,0,0]=3 38098 B12R0.119 CCSCCCOCCC(C)(C)O 34a_100011216438_100000702414 [0,3,0,0,0,0|0,0,0]=3 38099 B12R0.119 CCSCCCOCCC(C)(C)O 7a_100011216438_100000702414 [0,3,0,0,0,0|0,0,0]=3 38100 B12R0.119 CCSCCCOCCC(F)(F)F 34a_100011216438_100011219754 [0,3,0,0,0,0|1,0,0]=4 38101 B12R0.119 CCSCCCOCCC(F)(F)F 7a_100011216438_100011219754 [0,3,0,0,0,0|1,0,0]=4 38102 B12R0.119 CCSCCCOCCS(=O)(=O)C 34a_100011216438_100000731031 [0,3,0,0,0,0|1,0,0]=4 38103 B12R0.119 CCSCCCOCCS(=O)(=O)C 7a_100011216438_100000230027 [0,3,0,0,0,0|1,0,0]=4 38104 B12R0.119 CCSCCCOCC[N+](C)(C)C 34a_100011216438_100000085578 [0,3,0,0,0,0|1,0,0]=4 38105 B12R0.119 CCSCCCOCC[N+](C)(C)C 7a_100011216438_100000085578 [0,3,0,0,0,0|1,0,0]=4 38106 B12R0.119 CCSCCCOCC[Si](C)(C)C 34a_100011216438_200000733723 [0,3,0,0,0,0|0,1,0]=4 38107 B12R0.119 CCSCCCOCC[Si](C)(C)C 7a_100011216438_200000733723 [0,3,0,0,0,0|0,1,0]=4 38108 B12R0.119 CCSCCNCCCC(C)(C)O 2230a_100000106463_100009888830 [0,3,0,0,0,0|1,0,0]=4 38109 B12R0.119 CCSCCOCCCC(C)(C)O 34a_100000212035_100009888830 [0,3,0,0,0,0|0,0,0]=3 38110 B12R0.119 CCSCCOCCCC(C)(C)O 7a_100000212035_100009888830 [0,3,0,0,0,0|0,0,0]=3 38111 B12R0.119 CCSCCOCCCC(F)(F)F 34a_100000212035_100011215983 [0,3,0,0,0,0|1,0,0]=4 38112 B12R0.119 CCSCCOCCCC(F)(F)F 34a_100000749235_100000757381 [0,3,0,0,0,0|1,0,0]=4 38113 B12R0.119 CCSCCOCCCC(F)(F)F 7a_100000212035_100011216173 [0,3,0,0,0,0|1,0,0]=4 38114 B12R0.119 CCSCCOCCCS(=O)(=O)C 34a_100000212035_100000754308 [0,3,0,0,0,0|1,0,0]=4 38115 B12R0.119 CCSCCOCCCS(=O)(=O)C 34a_100000689940_100000757381 [0,3,0,0,0,0|1,0,0]=4 38116 B12R0.119 CCSCCOCCCS(=O)(=O)C 7a_100000212035_100000754308 [0,3,0,0,0,0|1,0,0]=4 38117 B12R0.119 CCSCCOCCCS(=O)(=O)C 7a_100000689940_100000757381 [0,3,0,0,0,0|1,0,0]=4 38118 B12R0.119 CCSCCOCCC[N+](C)(C)C 34a_100000212035_100016990835 [0,3,0,0,0,0|1,0,0]=4 38119 B12R0.119 CCSCCOCCC[N+](C)(C)C 7a_100000212035_100016990835 [0,3,0,0,0,0|1,0,0]=4 38120 B12R0.119 CCSCCOCCC[Si](C)(C)C 34a_100000212035_100011219597 [0,3,0,0,0,0|0,1,0]=4 38121 B12R0.119 CCSCCOCCC[Si](C)(C)C 7a_100000212035_100011219597 [0,3,0,0,0,0|0,1,0]=4 38122 B12R0.119 CCSCCOCCC[Si](C)(C)C 7a_200011215415_100000757381 [0,3,0,0,0,0|0,1,0]=4 38123 B12R0.119 CCSCCOCCOC(C)(C)C 34a_100000693234_100000757381 [0,3,0,0,0,0|1,0,0]=4 38124 B12R0.119 CCSCCOCCOC(C)(C)C 7a_100000693234_100000757381 [0,3,0,0,0,0|1,0,0]=4 38125 B12R0.119 CCSCCSCCCC(C)(C)O 62a_100000757381_100009888830 [0,3,0,0,0,0|0,1,0]=4 38126 B12R0.119 CCSCCSCCCC(C)(C)O 62a_100009888830_100000757381 [0,3,0,0,0,0|0,1,0]=4 38127 B12R0.119 CNCCCOCCCC(C)(C)O 34a_100000213112_100009888830 [0,3,0,0,0,0|0,0,0]=3 38128 B12R0.119 CNCCCOCCCC(F)(F)F 34a_100000213112_100011215983 [0,3,0,0,0,0|1,0,0]=4 38129 B12R0.119 CNCCCOCCCS(=O)(=O)C 34a_100000213112_100000754308 [0,3,0,0,0,0|1,0,0]=4 38130 B12R0.119 CNCCCOCCC[N+](C)(C)C 34a_100000213112_100016990835 [0,3,0,0,0,0|1,0,0]=4 38131 B12R0.119 CNCCCOCCC[Si](C)(C)C 34a_100000213112_100011219597 [0,3,0,0,0,0|0,1,0]=4 38132 B12R0.119 CNCCOCCOCC(C)(C)C 34a_100000228057_100011219605 [0,3,0,0,0,0|1,0,0]=4 38133 B12R0.119 CNCCOCCOCC(C)(C)F 34a_100000228057_100011997219 [0,3,0,0,0,0|1,0,0]=4 38134 B12R0.119 CNCCOCCOCC(C)(C)O 34a_100000228057_100000764493 [0,3,0,0,0,0|1,0,0]=4 38135 B12R0.119 COCCCCNCCC(C)(C)C 2230a_100000738805_100000730899 [0,3,0,0,0,0|1,0,0]=4 38136 B12R0.119 COCCCCNCCC(C)(C)F 2230a_100016253952_100000730899 [0,3,0,0,0,0|1,0,0]=4 38137 B12R0.119 COCCCCOCCC(C)(C)C 34a_100000740925_100000755188 [0,3,0,0,0,0|0,0,0]=3 38138 B12R0.119 COCCCCOCCC(C)(C)C 7a_100000765024_100000730899 [0,3,0,0,0,0|0,0,0]=3 38139 B12R0.119 COCCCCOCCC(C)(C)O 34a_100000740925_100000702414 [0,3,0,0,0,0|0,0,0]=3 38140 B12R0.119 COCCCCOCCC(F)(F)F 34a_100000740925_100011219754 [0,3,0,0,0,0|1,0,0]=4 38141 B12R0.119 COCCCCOCCC(F)(F)F 34a_100000752437_100000755781 [0,3,0,0,0,0|1,0,0]=4 38142 B12R0.119 COCCCCOCCS(=O)(=O)C 34a_100000211924_100000755781 [0,3,0,0,0,0|1,0,0]=4 38143 B12R0.119 COCCCCOCCS(=O)(=O)C 34a_100000740925_100000731031 [0,3,0,0,0,0|1,0,0]=4 38144 B12R0.119 COCCCCOCCS(=O)(=O)C 7a_100000211924_100000730899 [0,3,0,0,0,0|1,0,0]=4 38145 B12R0.119 COCCCCOCC[N+](C)(C)C 34a_100000740925_100000085578 [0,3,0,0,0,0|1,0,0]=4 38146 B12R0.119 COCCCCOCC[N+](C)(C)C 7a_200020618287_100000730899 [0,3,0,0,0,0|1,0,0]=4 38147 B12R0.119 COCCCCOCC[Si](C)(C)C 34a_100000740925_200000733723 [0,3,0,0,0,0|0,1,0]=4 38148 B12R0.119 COCCCCOCC[Si](C)(C)C 7a_100000039746_100000730899 [0,3,0,0,0,0|0,1,0]=4 38149 B12R0.119 COCCCCSCCC(C)(C)C 62a_100000730899_100000755188 [0,3,0,0,0,0|0,1,0]=4 38150 B12R0.119 COCCCCSCCC(C)(C)C 62a_100000755188_100000730899 [0,3,0,0,0,0|0,1,0]=4 38151 B12R0.119 COCCCCSCCC(C)(C)O 62a_100000702414_100000730899 [0,3,0,0,0,0|0,1,0]=4 38152 B12R0.119 COCCCCSCCC(C)(C)O 62a_100000730899_100000702414 [0,3,0,0,0,0|0,1,0]=4 38153 B12R0.119 COCCCNCCCC(C)(C)O 34a_100150723488_100009888830 [0,3,0,0,0,0|1,0,0]=4 38154 B12R0.119 COCCCOCCCC(C)(C)O 34a_100000740835_100009888830 [0,3,0,0,0,0|0,0,0]=3 38155 B12R0.119 COCCCOCCCC(F)(F)F 34a_100000740835_100011215983 [0,3,0,0,0,0|1,0,0]=4 38156 B12R0.119 COCCCOCCCC(F)(F)F 34a_100000749235_100000740836 [0,3,0,0,0,0|1,0,0]=4 38157 B12R0.119 COCCCOCCCS(=O)(=O)C 34a_100000689940_100000740836 [0,3,0,0,0,0|1,0,0]=4 38158 B12R0.119 COCCCOCCCS(=O)(=O)C 34a_100000740835_100000754308 [0,3,0,0,0,0|1,0,0]=4 38159 B12R0.119 COCCCOCCCS(=O)(=O)C 7a_100000689940_100000740836 [0,3,0,0,0,0|1,0,0]=4 38160 B12R0.119 COCCCOCCC[N+](C)(C)C 34a_100000740835_100016990835 [0,3,0,0,0,0|1,0,0]=4 38161 B12R0.119 COCCCOCCC[Si](C)(C)C 34a_100000740835_100011219597 [0,3,0,0,0,0|0,1,0]=4 38162 B12R0.119 COCCCOCCC[Si](C)(C)C 7a_200011215415_100000740836 [0,3,0,0,0,0|0,1,0]=4 38163 B12R0.119 COCCCOCCOC(C)(C)C 34a_100000693234_100000740836 [0,3,0,0,0,0|1,0,0]=4 38164 B12R0.119 COCCCOCCOC(C)(C)C 7a_100000693234_100000740836 [0,3,0,0,0,0|1,0,0]=4 38165 B12R0.119 COCCCSCCCC(C)(C)O 62a_100000709357_100009888830 [0,3,0,0,0,0|0,1,0]=4 38166 B12R0.119 COCCCSCCCC(C)(C)O 62a_100009888830_100000709357 [0,3,0,0,0,0|0,1,0]=4 38167 B12R0.119 COCCOCCCCC(F)(F)F 34a_100000210237_100000692467 [0,3,0,0,0,0|1,0,0]=4 38168 B12R0.119 COCCOCCCCC(F)(F)F 34a_100000749236_100011201679 [0,3,0,0,0,0|1,0,0]=4 38169 B12R0.119 COCCOCCCCC(F)(F)F 7a_100000749236_100000233755 [0,3,0,0,0,0|1,0,0]=4 38170 B12R0.119 COCCOCCCC[Si](C)(C)C 7a_200009881916_100000233755 [0,3,0,0,0,0|1,0,0]=4 38171 B12R0.119 COCCOCCCNC(C)(C)C 2230a_100000715429_100011216529 [0,3,0,0,0,0|1,0,0]=4 38172 B12R0.119 COCCOCCCNC(C)(C)C 34a_100000206027_100000210625 [0,3,0,0,0,0|1,0,0]=4 38173 B12R0.119 COCCOCCCOC(C)(C)C 34a_100015890283_100011216529 [0,3,0,0,0,0|1,0,0]=4 38174 B12R0.119 COCCOCCCOC(C)(C)C 7a_100015890283_100011216529 [0,3,0,0,0,0|1,0,0]=4 38175 B12R0.119 COCCOCCCSC(C)(C)C 62a_100000211941_100011216529 [0,3,0,0,0,0|1,0,0]=4 38176 B12R0.119 COCCOCCCSC(C)(C)C 62a_100011216529_100000211941 [0,3,0,0,0,0|1,0,0]=4 38177 B12R0.119 COCCOCCNCC(C)(C)C 2230a_100000743828_100000695917 [0,3,0,0,0,0|1,0,0]=4 38178 B12R0.119 COCCOCCNCC(C)(C)C 270004a_100000745349_100011204126 [0,3,0,0,0,0|1,0,0]=4 38179 B12R0.119 COCCOCCNCC(C)(C)C 34a_100000745349_100011219605 [0,3,0,0,0,0|1,0,0]=4 38180 B12R0.119 COCCOCCNCC(C)(C)F 2230a_100020643315_100000695917 [0,3,0,0,0,0|1,0,0]=4 38181 B12R0.119 COCCOCCNCC(C)(C)F 34a_100000745349_100011997219 [0,3,0,0,0,0|1,0,0]=4 38182 B12R0.119 COCCOCCNCC(C)(C)O 2230a_100000751335_100000695917 [0,3,0,0,0,0|1,0,0]=4 38183 B12R0.119 COCCOCCNCC(C)(C)O 34a_100000745349_100000764493 [0,3,0,0,0,0|1,0,0]=4 38184 B12R0.119 COCCOCCOCC(C)(C)C 34a_100011215163_100011219605 [0,3,0,0,0,0|1,0,0]=4 38185 B12R0.119 COCCOCCOCC(C)(C)F 34a_100000716592_100000695917 [0,3,0,0,0,0|1,0,0]=4 38186 B12R0.119 COCCOCCOCC(C)(C)F 34a_100011215163_100011997219 [0,3,0,0,0,0|1,0,0]=4 38187 B12R0.119 COCCOCCOCC(C)(C)O 34a_100011215163_100000764493 [0,3,0,0,0,0|1,0,0]=4 38188 B12R0.119 COCCOCCOCC(C)(C)O 7a_100011215163_100000764493 [0,3,0,0,0,0|1,0,0]=4 38189 B12R0.119 COCCOCCOCC(C)(F)F 34a_100000068830_100000695917 [0,3,0,0,0,0|1,0,0]=4 38190 B12R0.119 COCCOCCSCC(C)(C)C 62a_100000695917_100011219605 [0,3,0,0,0,0|1,0,0]=4 38191 B12R0.119 COCCOCCSCC(C)(C)C 62a_100011219605_100000695917 [0,3,0,0,0,0|1,0,0]=4 38192 B12R0.119 COCCOCCSCC(C)(C)F 62a_100000695917_100011997219 [0,3,0,0,0,0|1,0,0]=4 38193 B12R0.119 COCCOCCSCC(C)(C)F 62a_100011997219_100000695917 [0,3,0,0,0,0|1,0,0]=4 38194 B12R0.119 COCCOCCSCC(C)(C)O 62a_100000695917_100000764493 [0,3,0,0,0,0|1,0,0]=4 38195 B12R0.119 COCCOCCSCC(C)(C)O 62a_100000764493_100000695917 [0,3,0,0,0,0|1,0,0]=4 38196 B12R0.119 COCCOCNCCC(C)(C)C 2230a_100000738805_100000231047 [0,3,0,0,0,0|1,0,0]=4 38197 B12R0.119 COCCOCNCCC(C)(C)F 2230a_100016253952_100000231047 [0,3,0,0,0,0|1,0,0]=4 38198 B12R0.119 COCCOCSCCC(C)(C)C 62a_100000231047_100000755188 [0,3,0,0,0,0|1,0,0]=4 38199 B12R0.119 COCCOCSCCC(C)(C)C 62a_100000755188_100000231047 [0,3,0,0,0,0|1,0,0]=4 38200 B12R0.119 COCCOCSCCC(C)(C)O 62a_100000231047_100000702414 [0,3,0,0,0,0|1,0,0]=4 38201 B12R0.119 COCCOCSCCC(C)(C)O 62a_100000702414_100000231047 [0,3,0,0,0,0|1,0,0]=4 38202 B12R0.119 CS(=O)(=O)CCCOCCCCBr 34a_100011216708_100000754308 [0,3,0,0,0,0|1,0,0]=4 38203 B12R0.119 CS(=O)(=O)CCCOCCCCCl 34a_100000210776_100000754308 [0,3,0,0,0,0|1,0,0]=4 38204 B12R0.119 CS(=O)(=O)CCCOCCCCCl 7a_100000210776_100000754308 [0,3,0,0,0,0|1,0,0]=4 38205 B12R0.119 CS(=O)(=O)CCCOCCCCF 34a_100000689940_100000729493 [0,3,0,0,0,0|1,0,0]=4 38206 B12R0.119 CS(=O)(=O)CCCOCCCCF 34a_100011995726_100000754308 [0,3,0,0,0,0|1,0,0]=4 38207 B12R0.119 CS(=O)(=O)CCCOCCCCF 7a_100000689940_100000729493 [0,3,0,0,0,0|1,0,0]=4 38208 B12R0.119 CS(=O)(=O)CCCOCCCCF 7a_100011995726_100000754308 [0,3,0,0,0,0|1,0,0]=4 38209 B12R0.119 CS(=O)(=O)CCCOCCCCI 34a_200012148704_100000754308 [0,3,0,0,0,0|1,0,0]=4 38210 B12R0.119 CS(=O)(=O)CCCOCCCCN 34a_100000750430_100000754308 [0,3,0,0,0,0|1,0,0]=4 38211 B12R0.119 CS(=O)(=O)CCCOCCCCO 34a_100000689940_100011216708 [0,3,0,0,0,0|1,0,0]=4 38212 B12R0.119 CS(=O)(=O)CCCOCCCCO 7a_100000689940_100000210776 [0,3,0,0,0,0|1,0,0]=4 38213 B12R0.119 CS(=O)(=O)CCOCCCCCBr 34a_100000746331_100000731031 [0,3,0,0,0,0|1,0,0]=4 38214 B12R0.119 CS(=O)(=O)CCOCCCCCBr 7a_100000746331_100000230027 [0,3,0,0,0,0|1,0,0]=4 38215 B12R0.119 CS(=O)(=O)CCOCCCCCCl 34a_100000746330_100000731031 [0,3,0,0,0,0|1,0,0]=4 38216 B12R0.119 CS(=O)(=O)CCOCCCCCCl 7a_100000746330_100000230027 [0,3,0,0,0,0|1,0,0]=4 38217 B12R0.119 CS(=O)(=O)CCOCCCCCF 34a_100000211924_100000729378 [0,3,0,0,0,0|1,0,0]=4 38218 B12R0.119 CS(=O)(=O)CCOCCCCCF 7a_100000211924_100000729378 [0,3,0,0,0,0|1,0,0]=4 38219 B12R0.119 CS(=O)(=O)CCOCCCCCI 34a_200012148887_100000731031 [0,3,0,0,0,0|1,0,0]=4 38220 B12R0.119 CS(=O)(=O)CCOCCCCCI 7a_200012148887_100000230027 [0,3,0,0,0,0|1,0,0]=4 38221 B12R0.119 CS(=O)(=O)CCOCCCCCN 34a_100000762737_100000731031 [0,3,0,0,0,0|1,0,0]=4 38222 B12R0.119 CS(=O)(=O)CCOCCCCCO 34a_100000211924_100000746330 [0,3,0,0,0,0|1,0,0]=4 38223 B12R0.119 CS(=O)(=O)CCOCCCCCO 7a_100000211924_100000746330 [0,3,0,0,0,0|1,0,0]=4 38224 B12R0.119 CSCCCCOCCC(C)(C)C 34a_100011217163_100000755188 [0,3,0,0,0,0|0,0,0]=3 38225 B12R0.119 CSCCCCOCCC(C)(C)C 7a_100011217163_100000755188 [0,3,0,0,0,0|0,0,0]=3 38226 B12R0.119 CSCCCCOCCC(C)(C)O 34a_100011217163_100000702414 [0,3,0,0,0,0|0,0,0]=3 38227 B12R0.119 CSCCCCOCCC(C)(C)O 7a_100011217163_100000702414 [0,3,0,0,0,0|0,0,0]=3 38228 B12R0.119 CSCCCCOCCC(F)(F)F 34a_100011217163_100011219754 [0,3,0,0,0,0|1,0,0]=4 38229 B12R0.119 CSCCCCOCCC(F)(F)F 7a_100011217163_100011219754 [0,3,0,0,0,0|1,0,0]=4 38230 B12R0.119 CSCCCCOCCS(=O)(=O)C 34a_100011217163_100000731031 [0,3,0,0,0,0|1,0,0]=4 38231 B12R0.119 CSCCCCOCCS(=O)(=O)C 7a_100011217163_100000230027 [0,3,0,0,0,0|1,0,0]=4 38232 B12R0.119 CSCCCCOCC[N+](C)(C)C 34a_100011217163_100000085578 [0,3,0,0,0,0|1,0,0]=4 38233 B12R0.119 CSCCCCOCC[N+](C)(C)C 7a_100011217163_100000085578 [0,3,0,0,0,0|1,0,0]=4 38234 B12R0.119 CSCCCCOCC[Si](C)(C)C 34a_100011217163_200000733723 [0,3,0,0,0,0|0,1,0]=4 38235 B12R0.119 CSCCCCOCC[Si](C)(C)C 7a_100011217163_200000733723 [0,3,0,0,0,0|0,1,0]=4 38236 B12R0.119 CSCCCNCCCC(C)(C)O 2230a_100000749238_100009888830 [0,3,0,0,0,0|1,0,0]=4 38237 B12R0.119 CSCCCOCCCC(C)(C)O 34a_100000690336_100009888830 [0,3,0,0,0,0|0,0,0]=3 38238 B12R0.119 CSCCCOCCCC(C)(C)O 7a_100000690336_100009888830 [0,3,0,0,0,0|0,0,0]=3 38239 B12R0.119 CSCCCOCCCC(F)(F)F 34a_100000690336_100011215983 [0,3,0,0,0,0|1,0,0]=4 38240 B12R0.119 CSCCCOCCCC(F)(F)F 7a_100000690336_100011216173 [0,3,0,0,0,0|1,0,0]=4 38241 B12R0.119 CSCCCOCCCS(=O)(=O)C 34a_100000690336_100000754308 [0,3,0,0,0,0|1,0,0]=4 38242 B12R0.119 CSCCCOCCCS(=O)(=O)C 7a_100000690336_100000754308 [0,3,0,0,0,0|1,0,0]=4 38243 B12R0.119 CSCCCOCCC[N+](C)(C)C 34a_100000690336_100016990835 [0,3,0,0,0,0|1,0,0]=4 38244 B12R0.119 CSCCCOCCC[N+](C)(C)C 7a_100000690336_100016990835 [0,3,0,0,0,0|1,0,0]=4 38245 B12R0.119 CSCCCOCCC[Si](C)(C)C 34a_100000690336_100011219597 [0,3,0,0,0,0|0,1,0]=4 38246 B12R0.119 CSCCCOCCC[Si](C)(C)C 7a_100000690336_100011219597 [0,3,0,0,0,0|0,1,0]=4 38247 B12R0.119 CSCCOCCCCC(F)(F)F 34a_100000230434_100000692467 [0,3,0,0,0,0|1,0,0]=4 38248 B12R0.119 CSCCOCCCCC(F)(F)F 34a_100000749236_100000212216 [0,3,0,0,0,0|1,0,0]=4 38249 B12R0.119 CSCCOCCCCC(F)(F)F 7a_100000230434_100000692467 [0,3,0,0,0,0|1,0,0]=4 38250 B12R0.119 CSCCOCCCCC(F)(F)F 7a_100000749236_100000212216 [0,3,0,0,0,0|1,0,0]=4 38251 B12R0.119 CSCCOCCCC[Si](C)(C)C 7a_200009881916_100000212216 [0,3,0,0,0,0|1,0,0]=4 38252 B12R0.119 C[N+](C)(C)CCCOCCCCBr 34a_100011216708_100016990835 [0,3,0,0,0,0|1,0,0]=4 38253 B12R0.119 C[N+](C)(C)CCCOCCCCCl 34a_100000210776_100016990835 [0,3,0,0,0,0|1,0,0]=4 38254 B12R0.119 C[N+](C)(C)CCCOCCCCCl 7a_100000210776_100016990835 [0,3,0,0,0,0|1,0,0]=4 38255 B12R0.119 C[N+](C)(C)CCCOCCCCF 34a_100011995726_100016990835 [0,3,0,0,0,0|1,0,0]=4 38256 B12R0.119 C[N+](C)(C)CCCOCCCCF 7a_100011995726_100016990835 [0,3,0,0,0,0|1,0,0]=4 38257 B12R0.119 C[N+](C)(C)CCCOCCCCI 34a_200012148704_100016990835 [0,3,0,0,0,0|1,0,0]=4 38258 B12R0.119 C[N+](C)(C)CCCOCCCCN 34a_100000750430_100016990835 [0,3,0,0,0,0|1,0,0]=4 38259 B12R0.119 C[N+](C)(C)CCOCCCCCBr 34a_100000746331_100000085578 [0,3,0,0,0,0|1,0,0]=4 38260 B12R0.119 C[N+](C)(C)CCOCCCCCBr 7a_100000746331_100000085578 [0,3,0,0,0,0|1,0,0]=4 38261 B12R0.119 C[N+](C)(C)CCOCCCCCCl 34a_100000746330_100000085578 [0,3,0,0,0,0|1,0,0]=4 38262 B12R0.119 C[N+](C)(C)CCOCCCCCCl 7a_100000746330_100000085578 [0,3,0,0,0,0|1,0,0]=4 38263 B12R0.119 C[N+](C)(C)CCOCCCCCF 7a_200020618287_100000729378 [0,3,0,0,0,0|1,0,0]=4 38264 B12R0.119 C[N+](C)(C)CCOCCCCCI 34a_200012148887_100000085578 [0,3,0,0,0,0|1,0,0]=4 38265 B12R0.119 C[N+](C)(C)CCOCCCCCI 7a_200012148887_100000085578 [0,3,0,0,0,0|1,0,0]=4 38266 B12R0.119 C[N+](C)(C)CCOCCCCCN 34a_100000762737_100000085578 [0,3,0,0,0,0|1,0,0]=4 38267 B12R0.119 C[N+](C)(C)CCOCCCCCO 7a_200020618287_100000746330 [0,3,0,0,0,0|1,0,0]=4 38268 B12R0.119 C[Si](C)(C)CCCCOCCCF 7a_200009881916_100011934791 [0,3,0,0,0,0|1,0,0]=4 38269 B12R0.119 C[Si](C)(C)CCCCOCCCO 7a_200009881916_100011215043 [0,3,0,0,0,0|1,0,0]=4 38270 B12R0.119 C[Si](C)(C)CCCOCCCCBr 34a_100011216708_100011219597 [0,3,0,0,0,0|0,1,0]=4 38271 B12R0.119 C[Si](C)(C)CCCOCCCCCl 34a_100000210776_100011219597 [0,3,0,0,0,0|0,1,0]=4 38272 B12R0.119 C[Si](C)(C)CCCOCCCCCl 7a_100000210776_100011219597 [0,3,0,0,0,0|0,1,0]=4 38273 B12R0.119 C[Si](C)(C)CCCOCCCCF 34a_100011995726_100011219597 [0,3,0,0,0,0|0,1,0]=4 38274 B12R0.119 C[Si](C)(C)CCCOCCCCF 7a_100011995726_100011219597 [0,3,0,0,0,0|0,1,0]=4 38275 B12R0.119 C[Si](C)(C)CCCOCCCCF 7a_200011215415_100000729493 [0,3,0,0,0,0|0,1,0]=4 38276 B12R0.119 C[Si](C)(C)CCCOCCCCI 34a_200012148704_100011219597 [0,3,0,0,0,0|0,1,0]=4 38277 B12R0.119 C[Si](C)(C)CCCOCCCCN 34a_100000750430_100011219597 [0,3,0,0,0,0|0,1,0]=4 38278 B12R0.119 C[Si](C)(C)CCCOCCCCO 7a_200011215415_100000210776 [0,3,0,0,0,0|0,1,0]=4 38279 B12R0.119 C[Si](C)(C)CCOCCCCCBr 34a_100000746331_200000733723 [0,3,0,0,0,0|0,1,0]=4 38280 B12R0.119 C[Si](C)(C)CCOCCCCCBr 7a_100000746331_200000733723 [0,3,0,0,0,0|0,1,0]=4 38281 B12R0.119 C[Si](C)(C)CCOCCCCCCl 34a_100000746330_200000733723 [0,3,0,0,0,0|0,1,0]=4 38282 B12R0.119 C[Si](C)(C)CCOCCCCCCl 7a_100000746330_200000733723 [0,3,0,0,0,0|0,1,0]=4 38283 B12R0.119 C[Si](C)(C)CCOCCCCCF 7a_100000039746_100000729378 [0,3,0,0,0,0|0,1,0]=4 38284 B12R0.119 C[Si](C)(C)CCOCCCCCI 34a_200012148887_200000733723 [0,3,0,0,0,0|0,1,0]=4 38285 B12R0.119 C[Si](C)(C)CCOCCCCCI 7a_200012148887_200000733723 [0,3,0,0,0,0|0,1,0]=4 38286 B12R0.119 C[Si](C)(C)CCOCCCCCN 34a_100000762737_200000733723 [0,3,0,0,0,0|0,1,0]=4 38287 B12R0.119 C[Si](C)(C)CCOCCCCCO 7a_100000039746_100000746330 [0,3,0,0,0,0|0,1,0]=4 38288 B12R0.119 FC(F)(F)CCCCOCCCBr 34a_100011217188_100000692467 [0,3,0,0,0,0|1,0,0]=4 38289 B12R0.119 FC(F)(F)CCCCOCCCCl 34a_100000230001_100000692467 [0,3,0,0,0,0|1,0,0]=4 38290 B12R0.119 FC(F)(F)CCCOCCCCBr 34a_100011216708_100011215983 [0,3,0,0,0,0|1,0,0]=4 38291 B12R0.119 FC(F)(F)CCCOCCCCCl 34a_100000210776_100011215983 [0,3,0,0,0,0|1,0,0]=4 38292 B12R0.119 FC(F)(F)CCCOCCCCCl 7a_100000210776_100011216173 [0,3,0,0,0,0|1,0,0]=4 38293 B12R0.119 FC(F)(F)CCCOCCCCI 34a_200012148704_100011215983 [0,3,0,0,0,0|1,0,0]=4 38294 B12R0.119 FC(F)(F)CCOCCCCCBr 34a_100000746331_100011219754 [0,3,0,0,0,0|1,0,0]=4 38295 B12R0.119 FC(F)(F)CCOCCCCCBr 7a_100000746331_100011219754 [0,3,0,0,0,0|1,0,0]=4 38296 B12R0.119 FC(F)(F)CCOCCCCCCl 34a_100000746330_100011219754 [0,3,0,0,0,0|1,0,0]=4 38297 B12R0.119 FC(F)(F)CCOCCCCCCl 7a_100000746330_100011219754 [0,3,0,0,0,0|1,0,0]=4 38298 B12R0.119 FC(F)(F)CCOCCCCCI 34a_200012148887_100011219754 [0,3,0,0,0,0|1,0,0]=4 38299 B12R0.119 FC(F)(F)CCOCCCCCI 7a_200012148887_100011219754 [0,3,0,0,0,0|1,0,0]=4 38300 B12R0.119 FCCCCCOCCC(F)(F)F 34a_100000752437_100000729378 [0,3,0,0,0,0|1,0,0]=4 38301 B12R0.119 FCCCCOCCCC(F)(F)F 34a_100000749235_100000729493 [0,3,0,0,0,0|1,0,0]=4 38302 B12R0.119 FCCCCOCCCC(F)(F)F 34a_100011995726_100011215983 [0,3,0,0,0,0|1,0,0]=4 38303 B12R0.119 FCCCCOCCCC(F)(F)F 7a_100011995726_100011216173 [0,3,0,0,0,0|1,0,0]=4 38304 B12R0.119 FCCCOCCCCC(F)(F)F 34a_100000749236_100011934791 [0,3,0,0,0,0|1,0,0]=4 38305 B12R0.119 FCCCOCCCCC(F)(F)F 34a_100000759539_100000692467 [0,3,0,0,0,0|1,0,0]=4 38306 B12R0.119 FCCCOCCCCC(F)(F)F 7a_100000749236_100011934791 [0,3,0,0,0,0|1,0,0]=4 38307 B12R0.119 NCCCCCOCCC(F)(F)F 34a_100000762737_100011219754 [0,3,0,0,0,0|1,0,0]=4 38308 B12R0.119 NCCCCOCCCC(F)(F)F 34a_100000750430_100011215983 [0,3,0,0,0,0|1,0,0]=4 38309 B12R0.119 NCCCOCCCCC(F)(F)F 34a_100000182051_100000692467 [0,3,0,0,0,0|1,0,0]=4 38310 B12R0.119 OCCCCCOCCC(F)(F)F 34a_100000752437_100000746330 [0,3,0,0,0,0|1,0,0]=4 38311 B12R0.119 OCCCCOCCCC(F)(F)F 34a_100000749235_100011216708 [0,3,0,0,0,0|1,0,0]=4 38312 B12R0.119 OCCCOCCCCC(F)(F)F 34a_100000749236_100000230001 [0,3,0,0,0,0|1,0,0]=4 38313 B12R0.119 OCCCOCCCCC(F)(F)F 7a_100000749236_100011215043 [0,3,0,0,0,0|1,0,0]=4 38314 B12R0.234 C#CCCCCCNCCC(C)O 2230a_200000755665_100012094781 [0,3,0,0,0,0|1,0,0]=4 38315 B12R0.234 C#CCCCCCOCCC(=C)C 34a_100000764851_100012094781 [0,3,0,0,0,0|0,0,1]=4 38316 B12R0.234 C#CCCCCCOCCC(=C)C 34a_100000766912_100000730704 [0,3,0,0,0,0|0,0,1]=4 38317 B12R0.234 C#CCCCCCOCCC(=C)C 7a_100000766912_100000730704 [0,3,0,0,0,0|0,0,1]=4 38318 B12R0.234 C#CCCCCCOCCC(=O)C 34a_100000759926_100012094781 [0,3,0,0,0,0|0,0,1]=4 38319 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000759926_100012094781 [0,3,0,0,0,0|0,0,1]=4 38320 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000766912_100000053229 [0,3,0,0,0,0|0,0,1]=4 38321 B12R0.234 C#CCCCCCOCCC(C)Br 34a_100009893172_100012094781 [0,3,0,0,0,0|0,0,0]=3 38322 B12R0.234 C#CCCCCCOCCC(C)C 34a_100000210254_100012094781 [0,3,0,0,0,0|0,0,0]=3 38323 B12R0.234 C#CCCCCCOCCC(C)C 34a_100000766912_100000210312 [0,3,0,0,0,0|0,0,0]=3 38324 B12R0.234 C#CCCCCCOCCC(C)C 7a_100000210254_100012094781 [0,3,0,0,0,0|0,0,0]=3 38325 B12R0.234 C#CCCCCCOCCC(C)C 7a_100000766912_100000210626 [0,3,0,0,0,0|0,0,0]=3 38326 B12R0.234 C#CCCCCCOCCC(C)O 34a_100000766912_100012276601 [0,3,0,0,0,0|0,0,0]=3 38327 B12R0.234 C#CCCCCCOCCC(C)O 7a_100000766912_100012276601 [0,3,0,0,0,0|0,0,0]=3 38328 B12R0.234 C#CCCCCCOCCC(F)F 34a_100103093639_100012094781 [0,3,0,0,0,0|1,0,0]=4 38329 B12R0.234 C#CCCCCCOCCN(C)C 7a_100000766912_100000755713 [0,3,0,0,0,0|1,0,0]=4 38330 B12R0.234 C#CCCCCCOCC[C@@H](C)N 34a_100000706166_100012094781 [0,3,0,0,0,0|0,0,0]=3 38331 B12R0.234 C#CCCCCCOCOC(C)C 34a_100000766912_100000709892 [0,3,0,0,0,0|1,0,0]=4 38332 B12R0.234 C#CCCCCCSCCC(C)C 62a_100000210312_100012094781 [0,3,0,0,0,0|0,1,0]=4 38333 B12R0.234 C#CCCCCCSCCC(C)C 62a_100012094781_100000210312 [0,3,0,0,0,0|0,1,0]=4 38334 B12R0.234 C#CCCCCCSCCC(C)O 62a_100012094781_100012276601 [0,3,0,0,0,0|0,1,0]=4 38335 B12R0.234 C#CCCCCCSCCC(C)O 62a_100012276601_100012094781 [0,3,0,0,0,0|0,1,0]=4 38336 B12R0.234 C#CCCCCNCCCC(C)C 2230a_100000706060_100011214892 [0,3,0,0,0,0|1,0,0]=4 38337 B12R0.234 C#CCCCCNCCCC(C)C 2230a_200000737386_100010269958 [0,3,0,0,0,0|1,0,0]=4 38338 B12R0.234 C#CCCCCNCCCC(C)C 34a_100000706060_100011214892 [0,3,0,0,0,0|1,0,0]=4 38339 B12R0.234 C#CCCCCNCCCC(C)C 34a_200000737386_100010269958 [0,3,0,0,0,0|1,0,0]=4 38340 B12R0.234 C#CCCCCNCCCC(C)O 2230a_100000706060_200000718107 [0,3,0,0,0,0|1,0,0]=4 38341 B12R0.234 C#CCCCCNCCCC(C)O 34a_100000706060_200000718107 [0,3,0,0,0,0|1,0,0]=4 38342 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000759063_100010269958 [0,3,0,0,0,0|0,0,1]=4 38343 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000766709_100000685027 [0,3,0,0,0,0|0,0,1]=4 38344 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000759063_100010269958 [0,3,0,0,0,0|0,0,1]=4 38345 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000766709_100011215641 [0,3,0,0,0,0|0,0,1]=4 38346 B12R0.234 C#CCCCCOCCCC(C)C 34a_100000210774_100010269958 [0,3,0,0,0,0|0,0,0]=3 38347 B12R0.234 C#CCCCCOCCCC(C)C 34a_100000766709_100011214892 [0,3,0,0,0,0|0,0,0]=3 38348 B12R0.234 C#CCCCCOCCCC(C)C 7a_100000210774_100010269958 [0,3,0,0,0,0|0,0,0]=3 38349 B12R0.234 C#CCCCCOCCCC(C)C 7a_100000766709_100011214892 [0,3,0,0,0,0|0,0,0]=3 38350 B12R0.234 C#CCCCCOCCCC(C)O 34a_100000766709_200000718107 [0,3,0,0,0,0|0,0,0]=3 38351 B12R0.234 C#CCCCCOCCCC(C)O 7a_100000766709_200000718107 [0,3,0,0,0,0|0,0,0]=3 38352 B12R0.234 C#CCCCCOCCCN(C)C 7a_100000766709_100000757444 [0,3,0,0,0,0|0,0,1]=4 38353 B12R0.234 C#CCCCCOCCNC(C)C 34a_100000224655_100010269958 [0,3,0,0,0,0|0,0,1]=4 38354 B12R0.234 C#CCCCCOCCOC(C)C 34a_100000211219_100010269958 [0,3,0,0,0,0|0,0,1]=4 38355 B12R0.234 C#CCCCCOCCOC(C)C 34a_100000766709_100000211751 [0,3,0,0,0,0|0,0,1]=4 38356 B12R0.234 C#CCCCCOCCOC(C)C 7a_100000211219_100010269958 [0,3,0,0,0,0|0,0,1]=4 38357 B12R0.234 C#CCCCCOCCOC(C)C 7a_100000766709_100000211751 [0,3,0,0,0,0|0,0,1]=4 38358 B12R0.234 C#CCCCCOCCSC(C)C 34a_100000766709_100000730970 [0,3,0,0,0,0|0,0,1]=4 38359 B12R0.234 C#CCCCCOCCSC(C)C 34a_200011212901_100010269958 [0,3,0,0,0,0|0,0,1]=4 38360 B12R0.234 C#CCCCCOCCSC(C)C 7a_100000766709_100000730970 [0,3,0,0,0,0|0,0,1]=4 38361 B12R0.234 C#CCCCCOCCSC(C)C 7a_200011212901_100010269958 [0,3,0,0,0,0|0,0,1]=4 38362 B12R0.234 C#CCCCCSCCCC(C)C 62a_100010269958_100011214892 [0,3,0,0,0,0|0,1,0]=4 38363 B12R0.234 C#CCCCCSCCCC(C)C 62a_100011214892_100010269958 [0,3,0,0,0,0|0,1,0]=4 38364 B12R0.234 C#CCCCCSCCCC(C)O 62a_100010269958_200000718107 [0,3,0,0,0,0|0,1,0]=4 38365 B12R0.234 C#CCCCCSCCCC(C)O 62a_200000718107_100010269958 [0,3,0,0,0,0|0,1,0]=4 38366 B12R0.234 C#CCCCOCCCCC(=O)C 34a_100000215630_100009817362 [0,3,0,0,0,0|0,0,1]=4 38367 B12R0.234 C#CCCCOCCCCC(=O)C 7a_100000215630_100000735457 [0,3,0,0,0,0|0,0,1]=4 38368 B12R0.234 C#CCCCOCCCCC(C)C 34a_100000215630_100011216152 [0,3,0,0,0,0|0,0,1]=4 38369 B12R0.234 C#CCCCOCCCCC(C)C 34a_100011214890_100000695029 [0,3,0,0,0,0|0,0,1]=4 38370 B12R0.234 C#CCCCOCCCCC(C)C 7a_100000215630_100011216152 [0,3,0,0,0,0|0,0,1]=4 38371 B12R0.234 C#CCCCOCCCCC(C)C 7a_100011214890_100011215417 [0,3,0,0,0,0|0,0,1]=4 38372 B12R0.234 C#CCCCOCCCNC(C)C 34a_100000182298_100000695029 [0,3,0,0,0,0|0,0,1]=4 38373 B12R0.234 C#CCCCOCCNCC(C)C 34a_100015185251_100000695029 [0,3,0,0,0,0|0,0,1]=4 38374 B12R0.234 C#CCCCOCCOCC(C)C 34a_100000703358_100000695029 [0,3,0,0,0,0|0,0,1]=4 38375 B12R0.234 C#CCCCOCCOCC(C)C 7a_100000703358_100011215417 [0,3,0,0,0,0|0,0,1]=4 38376 B12R0.234 C#CCCCOCCSCC(C)C 34a_200000230437_100000695029 [0,3,0,0,0,0|0,0,1]=4 38377 B12R0.234 C#CCCCOCCSCC(C)C 7a_200000230437_100011215417 [0,3,0,0,0,0|0,0,1]=4 38378 B12R0.234 C#CCOCCOCCCC(C)C 34a_100000054580_100011214892 [0,3,0,0,0,0|0,0,1]=4 38379 B12R0.234 C#CCOCCOCCCC(C)C 34a_100000210774_100010402529 [0,3,0,0,0,0|0,0,1]=4 38380 B12R0.234 C#CCOCCOCCCC(C)C 7a_100000054580_100011214892 [0,3,0,0,0,0|0,0,1]=4 38381 B12R0.234 C#CCOCCOCCCC(C)C 7a_100000210774_100010402529 [0,3,0,0,0,0|0,0,1]=4 38382 B12R0.234 C#CCOCCOCCCC(C)O 34a_100000054580_200000718107 [0,3,0,0,0,0|0,0,1]=4 38383 B12R0.234 C#CCOCCOCCCC(C)O 7a_100000054580_200000718107 [0,3,0,0,0,0|0,0,1]=4 38384 B12R0.234 C/C=C/CCOCCCCC(=O)C 34a_100016278192_100009817362 [0,3,0,0,0,0|0,0,1]=4 38385 B12R0.234 C/C=C/CCOCCCCC(C)C 34a_100016278192_100011216152 [0,3,0,0,0,0|0,0,1]=4 38386 B12R0.234 C=C(Br)CCOCCOCCCC 34a_100009813270_100000743108 [0,3,0,0,0,0|0,0,1]=4 38387 B12R0.234 C=C(C)CCNCCCCCCC 2230a_100000229938_100000730704 [0,3,0,0,0,0|1,0,0]=4 38388 B12R0.234 C=C(C)CCNCCOCCOC 2230a_100000745349_100000730704 [0,3,0,0,0,0|1,0,0]=4 38389 B12R0.234 C=C(C)CCNCCOCCOC 34a_100000745349_100000730704 [0,3,0,0,0,0|1,0,0]=4 38390 B12R0.234 C=C(C)CCNCCSCCCC 2230a_100025743550_100000730704 [0,3,0,0,0,0|0,1,0]=4 38391 B12R0.234 C=C(C)CCOC/C=C/CCCC 34a_200016272032_100000730704 [0,3,0,0,0,0|0,0,1]=4 38392 B12R0.234 C=C(C)CCOC/C=C/CCCC 7a_200016272032_100000730704 [0,3,0,0,0,0|0,0,1]=4 38393 B12R0.234 C=C(C)CCOCC#CCCCC 34a_200000034558_100000730704 [0,3,0,0,0,0|0,0,1]=4 38394 B12R0.234 C=C(C)CCOCC#CCCCC 7a_200000034558_100000730704 [0,3,0,0,0,0|0,0,1]=4 38395 B12R0.234 C=C(C)CCOCCC#CCCC 34a_100000042726_100000730704 [0,3,0,0,0,0|0,0,1]=4 38396 B12R0.234 C=C(C)CCOCCC#CCCC 7a_100000042726_100000730704 [0,3,0,0,0,0|0,0,1]=4 38397 B12R0.234 C=C(C)CCOCCC/C=C/CC 34a_100016287902_100000730704 [0,3,0,0,0,0|0,0,1]=4 38398 B12R0.234 C=C(C)CCOCCC/C=C/CC 7a_100016287902_100000730704 [0,3,0,0,0,0|0,0,1]=4 38399 B12R0.234 C=C(C)CCOCCCCCCBr 34a_100011215345_100000730704 [0,3,0,0,0,0|0,0,1]=4 38400 B12R0.234 C=C(C)CCOCCCCCCBr 7a_100011215345_100000730704 [0,3,0,0,0,0|0,0,1]=4 38401 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [0,3,0,0,0,0|0,0,1]=4 38402 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [0,3,0,0,0,0|0,0,1]=4 38403 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [0,3,0,0,0,0|0,0,1]=4 38404 B12R0.234 C=C(C)CCOCCCCCCCl 34a_100000766143_100000730704 [0,3,0,0,0,0|0,0,1]=4 38405 B12R0.234 C=C(C)CCOCCCCCCCl 7a_100000766143_100000730704 [0,3,0,0,0,0|0,0,1]=4 38406 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000732779_100000730704 [0,3,0,0,0,0|0,0,1]=4 38407 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000764851_100015922095 [0,3,0,0,0,0|0,0,1]=4 38408 B12R0.234 C=C(C)CCOCCCCCCF 7a_100000732779_100000730704 [0,3,0,0,0,0|0,0,1]=4 38409 B12R0.234 C=C(C)CCOCCCCCCN 34a_100000686447_100000730704 [0,3,0,0,0,0|0,0,1]=4 38410 B12R0.234 C=C(C)CCOCCCCCCO 34a_100000764851_100000766143 [0,3,0,0,0,0|0,0,1]=4 38411 B12R0.234 C=C(C)CCOCCCCCNC 34a_100000722520_100000730704 [0,3,0,0,0,0|0,0,1]=4 38412 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000210238_100000730704 [0,3,0,0,0,0|0,0,0]=3 38413 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000764851_100000743108 [0,3,0,0,0,0|0,0,0]=3 38414 B12R0.234 C=C(C)CCOCCOCCCC 7a_100000210238_100000730704 [0,3,0,0,0,0|0,0,0]=3 38415 B12R0.234 C=C(C)CCOCCOCCNC 34a_100000228057_100000730704 [0,3,0,0,0,0|0,0,1]=4 38416 B12R0.234 C=C(C)CCOCCOCCOC 34a_100000764851_100000695917 [0,3,0,0,0,0|0,0,1]=4 38417 B12R0.234 C=C(C)CCOCCOCCOC 34a_100011215163_100000730704 [0,3,0,0,0,0|0,0,1]=4 38418 B12R0.234 C=C(C)CCOCCOCCOC 7a_100011215163_100000730704 [0,3,0,0,0,0|0,0,1]=4 38419 B12R0.234 C=C(C)CCOCCSCCCC 34a_200000230436_100000730704 [0,3,0,0,0,0|0,0,1]=4 38420 B12R0.234 C=C(C)CCOCCSCCCC 7a_200000230436_100000730704 [0,3,0,0,0,0|0,0,1]=4 38421 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000210614_100000730704 [0,3,0,0,0,0|1,0,0]=4 38422 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000730704_100000210316 [0,3,0,0,0,0|1,0,0]=4 38423 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000730704_100000743108 [0,3,0,0,0,0|0,0,0]=3 38424 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000743108_100000730704 [0,3,0,0,0,0|0,0,0]=3 38425 B12R0.234 C=C(C)CCSCCOCCOC 62a_100000695917_100000730704 [0,3,0,0,0,0|1,0,0]=4 38426 B12R0.234 C=C(C)CCSCCOCCOC 62a_100000730704_100000695917 [0,3,0,0,0,0|1,0,0]=4 38427 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [0,3,0,0,0,0|1,0,0]=4 38428 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [0,3,0,0,0,0|1,0,0]=4 38429 B12R0.234 C=C(C)CNCCCOCCCC 2230a_200000211371_100000748629 [0,3,0,0,0,0|0,0,0]=3 38430 B12R0.234 C=C(C)CNCCCOCCCC 34a_200000211371_100000748629 [0,3,0,0,0,0|0,0,0]=3 38431 B12R0.234 C=C(C)CNCCCOCCCO 2230a_100011310245_100000748629 [0,3,0,0,0,0|1,0,0]=4 38432 B12R0.234 C=C(C)CNCCCOCCCO 34a_100011310245_100000748629 [0,3,0,0,0,0|1,0,0]=4 38433 B12R0.234 C=C(C)CNCCCOCCOC 2230a_100000206027_100000748629 [0,3,0,0,0,0|1,0,0]=4 38434 B12R0.234 C=C(C)CNCCCOCCOC 34a_100000206027_100000748629 [0,3,0,0,0,0|1,0,0]=4 38435 B12R0.234 C=C(C)CNCCOCCOCC 2230a_100102712874_100000748629 [0,3,0,0,0,0|0,0,1]=4 38436 B12R0.234 C=C(C)CNCCOCCOCC 34a_100102712874_100000748629 [0,3,0,0,0,0|0,0,1]=4 38437 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [0,3,0,0,0,0|1,0,0]=4 38438 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [0,3,0,0,0,0|1,0,0]=4 38439 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [0,3,0,0,0,0|1,0,0]=4 38440 B12R0.234 C=C(C)COCCCOCCCC 34a_200011215613_100000748629 [0,3,0,0,0,0|0,0,0]=3 38441 B12R0.234 C=C(C)COCCCOCCCC 7a_200011215613_100000748629 [0,3,0,0,0,0|0,0,0]=3 38442 B12R0.234 C=C(C)COCCCOCCCN 34a_100011310245_100000748629 [0,3,0,0,0,0|1,0,0]=4 38443 B12R0.234 C=C(C)COCCCOCCOC 34a_100000210245_100011216529 [0,3,0,0,0,0|1,0,0]=4 38444 B12R0.234 C=C(C)COCCNCCCCC 34a_100000224656_100000748629 [0,3,0,0,0,0|1,0,0]=4 38445 B12R0.234 C=C(C)COCCOCCCCC 34a_100011215259_100000748629 [0,3,0,0,0,0|0,0,0]=3 38446 B12R0.234 C=C(C)COCCOCCCCC 7a_100011215259_100000748629 [0,3,0,0,0,0|0,0,0]=3 38447 B12R0.234 C=C(C)COCCOCCOCC 34a_100000210240_100000748629 [0,3,0,0,0,0|0,0,1]=4 38448 B12R0.234 C=C(C)COCCOCCOCC 34a_100000210245_100011211534 [0,3,0,0,0,0|0,0,1]=4 38449 B12R0.234 C=C(C)COCCOCCOCC 7a_100000210240_100000748629 [0,3,0,0,0,0|0,0,1]=4 38450 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [0,3,0,0,0,0|1,0,0]=4 38451 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [0,3,0,0,0,0|1,0,0]=4 38452 B12R0.234 C=C(C)CSCCCOCCOC 62a_100000748629_100011216529 [0,3,0,0,0,0|1,0,0]=4 38453 B12R0.234 C=C(C)CSCCCOCCOC 62a_100011216529_100000211660 [0,3,0,0,0,0|1,0,0]=4 38454 B12R0.234 C=C(C)CSCCOCCOCC 62a_100000748629_100011211534 [0,3,0,0,0,0|0,0,1]=4 38455 B12R0.234 C=C(C)CSCCOCCOCC 62a_100011211534_100000211660 [0,3,0,0,0,0|0,0,1]=4 38456 B12R0.234 C=C(F)CNCCCOCCCC 2230a_200000211371_100009893438 [0,3,0,0,0,0|0,0,1]=4 38457 B12R0.234 C=C(F)CNCCCOCCCC 34a_200000211371_100009893438 [0,3,0,0,0,0|0,0,1]=4 38458 B12R0.234 C=C(F)COCCCOCCCC 34a_200011215613_100009893438 [0,3,0,0,0,0|0,0,1]=4 38459 B12R0.234 C=C(F)COCCCOCCCC 7a_200011215613_100000042424 [0,3,0,0,0,0|0,0,1]=4 38460 B12R0.234 C=C(F)COCCOCCCCC 34a_100011215259_100009893438 [0,3,0,0,0,0|0,0,1]=4 38461 B12R0.234 C=C(F)COCCOCCCCC 7a_100011215259_100000042424 [0,3,0,0,0,0|0,0,1]=4 38462 B12R0.234 C=CCCCCCNCCC(C)O 2230a_200000755665_100000700193 [0,3,0,0,0,0|1,0,0]=4 38463 B12R0.234 C=CCCCCCOCCC(=C)C 34a_100000764851_100000700193 [0,3,0,0,0,0|0,0,1]=4 38464 B12R0.234 C=CCCCCCOCCC(=C)C 34a_100011216702_100000730704 [0,3,0,0,0,0|0,0,1]=4 38465 B12R0.234 C=CCCCCCOCCC(=C)C 7a_100011216702_100000730704 [0,3,0,0,0,0|0,0,1]=4 38466 B12R0.234 C=CCCCCCOCCC(=O)C 34a_100000759926_100000700193 [0,3,0,0,0,0|0,0,1]=4 38467 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100000759926_100000700193 [0,3,0,0,0,0|0,0,1]=4 38468 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100011216702_100000053229 [0,3,0,0,0,0|0,0,1]=4 38469 B12R0.234 C=CCCCCCOCCC(C)Br 34a_100009893172_100000700193 [0,3,0,0,0,0|0,0,0]=3 38470 B12R0.234 C=CCCCCCOCCC(C)C 34a_100000210254_100000700193 [0,3,0,0,0,0|0,0,0]=3 38471 B12R0.234 C=CCCCCCOCCC(C)C 34a_100011216702_100000210312 [0,3,0,0,0,0|0,0,0]=3 38472 B12R0.234 C=CCCCCCOCCC(C)C 7a_100000210254_100000700193 [0,3,0,0,0,0|0,0,0]=3 38473 B12R0.234 C=CCCCCCOCCC(C)C 7a_100011216702_100000210626 [0,3,0,0,0,0|0,0,0]=3 38474 B12R0.234 C=CCCCCCOCCC(C)O 34a_100011216702_100012276601 [0,3,0,0,0,0|0,0,0]=3 38475 B12R0.234 C=CCCCCCOCCC(C)O 7a_100011216702_100012276601 [0,3,0,0,0,0|0,0,0]=3 38476 B12R0.234 C=CCCCCCOCCC(F)F 34a_100103093639_100000700193 [0,3,0,0,0,0|1,0,0]=4 38477 B12R0.234 C=CCCCCCOCCN(C)C 7a_100011216702_100000755713 [0,3,0,0,0,0|1,0,0]=4 38478 B12R0.234 C=CCCCCCOCC[C@@H](C)N 34a_100000706166_100000700193 [0,3,0,0,0,0|0,0,0]=3 38479 B12R0.234 C=CCCCCCOCOC(C)C 34a_100011216702_100000709892 [0,3,0,0,0,0|1,0,0]=4 38480 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000210312_100000700193 [0,3,0,0,0,0|0,1,0]=4 38481 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000700193_100000210312 [0,3,0,0,0,0|0,1,0]=4 38482 B12R0.234 C=CCCCCCSCCC(C)O 62a_100000700193_100012276601 [0,3,0,0,0,0|0,1,0]=4 38483 B12R0.234 C=CCCCCCSCCC(C)O 62a_100012276601_100000700193 [0,3,0,0,0,0|0,1,0]=4 38484 B12R0.234 C=CCCCCNCCCC(C)C 2230a_100000703577_100011214892 [0,3,0,0,0,0|1,0,0]=4 38485 B12R0.234 C=CCCCCNCCCC(C)C 2230a_200000737386_100011215482 [0,3,0,0,0,0|1,0,0]=4 38486 B12R0.234 C=CCCCCNCCCC(C)C 34a_100000703577_100011214892 [0,3,0,0,0,0|1,0,0]=4 38487 B12R0.234 C=CCCCCNCCCC(C)C 34a_200000737386_100011215482 [0,3,0,0,0,0|1,0,0]=4 38488 B12R0.234 C=CCCCCNCCCC(C)O 2230a_100000703577_200000718107 [0,3,0,0,0,0|1,0,0]=4 38489 B12R0.234 C=CCCCCNCCCC(C)O 34a_100000703577_200000718107 [0,3,0,0,0,0|1,0,0]=4 38490 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000759063_100011215482 [0,3,0,0,0,0|0,0,1]=4 38491 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000766645_100000685027 [0,3,0,0,0,0|0,0,1]=4 38492 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000759063_100011215482 [0,3,0,0,0,0|0,0,1]=4 38493 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000766645_100011215641 [0,3,0,0,0,0|0,0,1]=4 38494 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000210774_100011215482 [0,3,0,0,0,0|0,0,0]=3 38495 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000766645_100011214892 [0,3,0,0,0,0|0,0,0]=3 38496 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000210774_100011215482 [0,3,0,0,0,0|0,0,0]=3 38497 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000766645_100011214892 [0,3,0,0,0,0|0,0,0]=3 38498 B12R0.234 C=CCCCCOCCCC(C)O 34a_100000766645_200000718107 [0,3,0,0,0,0|0,0,0]=3 38499 B12R0.234 C=CCCCCOCCCC(C)O 7a_100000766645_200000718107 [0,3,0,0,0,0|0,0,0]=3 38500 B12R0.234 C=CCCCCOCCCN(C)C 7a_100000766645_100000757444 [0,3,0,0,0,0|0,0,1]=4 38501 B12R0.234 C=CCCCCOCCNC(C)C 34a_100000224655_100011215482 [0,3,0,0,0,0|0,0,1]=4 38502 B12R0.234 C=CCCCCOCCOC(C)C 34a_100000211219_100011215482 [0,3,0,0,0,0|0,0,1]=4 38503 B12R0.234 C=CCCCCOCCOC(C)C 34a_100000766645_100000211751 [0,3,0,0,0,0|0,0,1]=4 38504 B12R0.234 C=CCCCCOCCOC(C)C 7a_100000211219_100011215482 [0,3,0,0,0,0|0,0,1]=4 38505 B12R0.234 C=CCCCCOCCOC(C)C 7a_100000766645_100000211751 [0,3,0,0,0,0|0,0,1]=4 38506 B12R0.234 C=CCCCCOCCSC(C)C 34a_100000766645_100000730970 [0,3,0,0,0,0|0,0,1]=4 38507 B12R0.234 C=CCCCCOCCSC(C)C 34a_200011212901_100011215482 [0,3,0,0,0,0|0,0,1]=4 38508 B12R0.234 C=CCCCCOCCSC(C)C 7a_100000766645_100000730970 [0,3,0,0,0,0|0,0,1]=4 38509 B12R0.234 C=CCCCCOCCSC(C)C 7a_200011212901_100011215482 [0,3,0,0,0,0|0,0,1]=4 38510 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011214892_100011215482 [0,3,0,0,0,0|0,1,0]=4 38511 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011215482_100011214892 [0,3,0,0,0,0|0,1,0]=4 38512 B12R0.234 C=CCCCCSCCCC(C)O 62a_100011215482_200000718107 [0,3,0,0,0,0|0,1,0]=4 38513 B12R0.234 C=CCCCCSCCCC(C)O 62a_200000718107_100011215482 [0,3,0,0,0,0|0,1,0]=4 38514 B12R0.234 C=CCCCOCCCCC(=O)C 34a_100000758997_100009817362 [0,3,0,0,0,0|0,0,1]=4 38515 B12R0.234 C=CCCCOCCCCC(=O)C 7a_100000758997_100000735457 [0,3,0,0,0,0|0,0,1]=4 38516 B12R0.234 C=CCCCOCCCCC(C)C 34a_100000758997_100011216152 [0,3,0,0,0,0|0,0,1]=4 38517 B12R0.234 C=CCCCOCCCCC(C)C 34a_100011214890_100000757094 [0,3,0,0,0,0|0,0,1]=4 38518 B12R0.234 C=CCCCOCCCCC(C)C 7a_100000758997_100011216152 [0,3,0,0,0,0|0,0,1]=4 38519 B12R0.234 C=CCCCOCCCCC(C)C 7a_100011214890_100000757094 [0,3,0,0,0,0|0,0,1]=4 38520 B12R0.234 C=CCCCOCCCNC(C)C 34a_100000182298_100000757094 [0,3,0,0,0,0|0,0,1]=4 38521 B12R0.234 C=CCCCOCCNCC(C)C 34a_100015185251_100000757094 [0,3,0,0,0,0|0,0,1]=4 38522 B12R0.234 C=CCCCOCCOCC(C)C 34a_100000703358_100000757094 [0,3,0,0,0,0|0,0,1]=4 38523 B12R0.234 C=CCCCOCCOCC(C)C 7a_100000703358_100000757094 [0,3,0,0,0,0|0,0,1]=4 38524 B12R0.234 C=CCCCOCCSCC(C)C 34a_200000230437_100000757094 [0,3,0,0,0,0|0,0,1]=4 38525 B12R0.234 C=CCCCOCCSCC(C)C 7a_200000230437_100000757094 [0,3,0,0,0,0|0,0,1]=4 38526 B12R0.234 C=CCOCCOCCCC(C)C 34a_100000037705_100011214892 [0,3,0,0,0,0|0,0,1]=4 38527 B12R0.234 C=CCOCCOCCCC(C)C 7a_100000037705_100011214892 [0,3,0,0,0,0|0,0,1]=4 38528 B12R0.234 C=CCOCCOCCCC(C)O 34a_100000037705_200000718107 [0,3,0,0,0,0|0,0,1]=4 38529 B12R0.234 C=CCOCCOCCCC(C)O 7a_100000037705_200000718107 [0,3,0,0,0,0|0,0,1]=4 38530 B12R0.234 C=COCCCCOCCC(C)C 34a_100000031558_100000210312 [0,3,0,0,0,0|0,0,1]=4 38531 B12R0.234 C=COCCCCOCCC(C)C 7a_100000031558_100000210626 [0,3,0,0,0,0|0,0,1]=4 38532 B12R0.234 C=COCCCCOCCC(C)O 34a_100000031558_100012276601 [0,3,0,0,0,0|0,0,1]=4 38533 B12R0.234 C=COCCCCOCCC(C)O 7a_100000031558_100012276601 [0,3,0,0,0,0|0,0,1]=4 38534 B12R0.234 CC#CCCOCCCCC(=O)C 34a_100000750427_100009817362 [0,3,0,0,0,0|0,0,1]=4 38535 B12R0.234 CC#CCCOCCCCC(C)C 34a_100000750427_100011216152 [0,3,0,0,0,0|0,0,1]=4 38536 B12R0.234 CC(=CCCOCCCCCBr)C 34a_100000746331_100011217483 [0,3,0,0,0,0|0,0,1]=4 38537 B12R0.234 CC(=CCCOCCCCCBr)C 7a_100000746331_100011217483 [0,3,0,0,0,0|0,0,1]=4 38538 B12R0.234 CC(=CCCOCCCCCCl)C 34a_100000746330_100011217483 [0,3,0,0,0,0|0,0,1]=4 38539 B12R0.234 CC(=CCCOCCCCCCl)C 7a_100000746330_100011217483 [0,3,0,0,0,0|0,0,1]=4 38540 B12R0.234 CC(=CCCOCCCCCI)C 34a_200012148887_100011217483 [0,3,0,0,0,0|0,0,1]=4 38541 B12R0.234 CC(=CCCOCCCCCI)C 7a_200012148887_100011217483 [0,3,0,0,0,0|0,0,1]=4 38542 B12R0.234 CC(=CCCOCCCCCN)C 34a_100000762737_100011217483 [0,3,0,0,0,0|0,0,1]=4 38543 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,3,0,0,0,0|1,0,0]=4 38544 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,3,0,0,0,0|1,0,0]=4 38545 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [0,3,0,0,0,0|1,0,0]=4 38546 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [0,3,0,0,0,0|0,0,0]=3 38547 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [0,3,0,0,0,0|0,0,0]=3 38548 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [0,3,0,0,0,0|0,0,0]=3 38549 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [0,3,0,0,0,0|0,0,0]=3 38550 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [0,3,0,0,0,0|0,0,0]=3 38551 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [0,3,0,0,0,0|0,0,0]=3 38552 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [0,3,0,0,0,0|0,0,0]=3 38553 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [0,3,0,0,0,0|0,1,0]=4 38554 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [0,3,0,0,0,0|0,1,0]=4 38555 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [0,3,0,0,0,0|0,1,0]=4 38556 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [0,3,0,0,0,0|0,1,0]=4 38557 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [0,3,0,0,0,0|1,0,0]=4 38558 B12R0.234 CC(=O)CCCOCCCCC#N 7a_100000759063_100000211819 [0,3,0,0,0,0|0,0,1]=4 38559 B12R0.234 CC(=O)CCCOCCCCC=O 7a_100000759063_100000139335 [0,3,0,0,0,0|0,0,1]=4 38560 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [0,3,0,0,0,0|0,0,0]=3 38561 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [0,3,0,0,0,0|0,0,0]=3 38562 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [0,3,0,0,0,0|0,0,0]=3 38563 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [0,3,0,0,0,0|0,0,0]=3 38564 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [0,3,0,0,0,0|0,0,0]=3 38565 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [0,3,0,0,0,0|0,0,0]=3 38566 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [0,3,0,0,0,0|0,0,0]=3 38567 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [0,3,0,0,0,0|0,0,0]=3 38568 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [0,3,0,0,0,0|0,0,0]=3 38569 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [0,3,0,0,0,0|0,0,0]=3 38570 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [0,3,0,0,0,0|0,0,0]=3 38571 B12R0.234 CC(=O)CCCOCCOCCBr 34a_100000692535_100000685027 [0,3,0,0,0,0|0,0,1]=4 38572 B12R0.234 CC(=O)CCCOCCOCCBr 7a_100000692535_100011215641 [0,3,0,0,0,0|0,0,1]=4 38573 B12R0.234 CC(=O)CCCOCCOCCCl 34a_100011215305_100000685027 [0,3,0,0,0,0|0,0,1]=4 38574 B12R0.234 CC(=O)CCCOCCOCCCl 7a_100011215305_100011215641 [0,3,0,0,0,0|0,0,1]=4 38575 B12R0.234 CC(=O)CCCOCCOCCF 34a_200015357709_100000685027 [0,3,0,0,0,0|0,0,1]=4 38576 B12R0.234 CC(=O)CCCOCCOCCF 7a_200015357709_100011215641 [0,3,0,0,0,0|0,0,1]=4 38577 B12R0.234 CC(=O)CCCOCCOCCI 34a_100012149058_100000685027 [0,3,0,0,0,0|0,0,1]=4 38578 B12R0.234 CC(=O)CCCOCCOCCI 7a_100012149058_100011215641 [0,3,0,0,0,0|0,0,1]=4 38579 B12R0.234 CC(=O)CCCOCCOCCN 34a_100000211614_100000685027 [0,3,0,0,0,0|0,0,1]=4 38580 B12R0.234 CC(=O)CCCOCCOCCO 34a_100000759063_100000692535 [0,3,0,0,0,0|0,0,1]=4 38581 B12R0.234 CC(=O)CCCOCCOCCO 7a_100000759063_100011215305 [0,3,0,0,0,0|0,0,1]=4 38582 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [0,3,0,0,0,0|0,1,0]=4 38583 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [0,3,0,0,0,0|0,1,0]=4 38584 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [0,3,0,0,0,0|0,1,0]=4 38585 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [0,3,0,0,0,0|0,1,0]=4 38586 B12R0.234 CC(=O)CCOCCCCCC#N 7a_100000759926_100009813376 [0,3,0,0,0,0|0,0,1]=4 38587 B12R0.234 CC(=O)CCOCCCCCC=O 7a_100000759926_100000139337 [0,3,0,0,0,0|0,0,1]=4 38588 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [0,3,0,0,0,0|0,0,1]=4 38589 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [0,3,0,0,0,0|0,0,1]=4 38590 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [0,3,0,0,0,0|0,0,1]=4 38591 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [0,3,0,0,0,0|0,0,1]=4 38592 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [0,3,0,0,0,0|0,0,1]=4 38593 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [0,3,0,0,0,0|0,0,1]=4 38594 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [0,3,0,0,0,0|0,0,1]=4 38595 B12R0.234 CC(=O)NCCCOCCCCF 34a_100000752032_100000729493 [0,3,0,0,0,0|0,0,1]=4 38596 B12R0.234 CC(=O)NCCCOCCCCO 34a_100000752032_100011216708 [0,3,0,0,0,0|0,0,1]=4 38597 B12R0.234 CC(=O)NCCOCCCCCBr 7a_100000746331_100000189650 [0,3,0,0,0,0|0,0,1]=4 38598 B12R0.234 CC(=O)NCCOCCCCCCl 7a_100000746330_100000189650 [0,3,0,0,0,0|0,0,1]=4 38599 B12R0.234 CC(=O)NCCOCCCCCF 34a_100000158858_100000729378 [0,3,0,0,0,0|0,0,1]=4 38600 B12R0.234 CC(=O)NCCOCCCCCI 7a_200012148887_100000189650 [0,3,0,0,0,0|0,0,1]=4 38601 B12R0.234 CC(=O)NCCOCCCCCO 34a_100000158858_100000746330 [0,3,0,0,0,0|0,0,1]=4 38602 B12R0.234 CC(=O)OCCCCOCCCBr 34a_100011217188_100000033659 [0,3,0,0,0,0|1,0,0]=4 38603 B12R0.234 CC(=O)OCCCCOCCCCl 34a_100000230001_100000033659 [0,3,0,0,0,0|1,0,0]=4 38604 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000073216_100011934791 [0,3,0,0,0,0|1,0,0]=4 38605 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000759539_100000033659 [0,3,0,0,0,0|1,0,0]=4 38606 B12R0.234 CC(=O)OCCCCOCCCF 7a_100000073216_100011934791 [0,3,0,0,0,0|1,0,0]=4 38607 B12R0.234 CC(=O)OCCCCOCCCN 34a_100000182051_100000033659 [0,3,0,0,0,0|1,0,0]=4 38608 B12R0.234 CC(=O)OCCCCOCCCO 34a_100000073216_100000230001 [0,3,0,0,0,0|1,0,0]=4 38609 B12R0.234 CC(=O)OCCCCOCCCO 7a_100000073216_100011215043 [0,3,0,0,0,0|1,0,0]=4 38610 B12R0.234 CC(=O)OCCCOCCCCBr 34a_100011216708_100000042594 [0,3,0,0,0,0|0,0,1]=4 38611 B12R0.234 CC(=O)OCCCOCCCCCl 34a_100000210776_100000042594 [0,3,0,0,0,0|0,0,1]=4 38612 B12R0.234 CC(=O)OCCCOCCCCCl 7a_100000210776_100000042594 [0,3,0,0,0,0|0,0,1]=4 38613 B12R0.234 CC(=O)OCCCOCCCCF 34a_100011995726_100000042594 [0,3,0,0,0,0|0,0,1]=4 38614 B12R0.234 CC(=O)OCCCOCCCCF 7a_100011995726_100000042594 [0,3,0,0,0,0|0,0,1]=4 38615 B12R0.234 CC(=O)OCCCOCCCCI 34a_200012148704_100000042594 [0,3,0,0,0,0|0,0,1]=4 38616 B12R0.234 CC(=O)OCCCOCCCCN 34a_100000750430_100000042594 [0,3,0,0,0,0|0,0,1]=4 38617 B12R0.234 CC(=O)OCCOCCCCCBr 34a_100000746331_100009814007 [0,3,0,0,0,0|0,0,1]=4 38618 B12R0.234 CC(=O)OCCOCCCCCBr 7a_100000746331_100009814007 [0,3,0,0,0,0|0,0,1]=4 38619 B12R0.234 CC(=O)OCCOCCCCCCl 34a_100000746330_100009814007 [0,3,0,0,0,0|0,0,1]=4 38620 B12R0.234 CC(=O)OCCOCCCCCCl 7a_100000746330_100009814007 [0,3,0,0,0,0|0,0,1]=4 38621 B12R0.234 CC(=O)OCCOCCCCCI 34a_200012148887_100009814007 [0,3,0,0,0,0|0,0,1]=4 38622 B12R0.234 CC(=O)OCCOCCCCCI 7a_200012148887_100009814007 [0,3,0,0,0,0|0,0,1]=4 38623 B12R0.234 CC(=O)OCCOCCCCCN 34a_100000762737_100009814007 [0,3,0,0,0,0|0,0,1]=4 38624 B12R0.234 CC(=O)SCCCCOCCCBr 34a_100011217188_200010402107 [0,3,0,0,0,0|1,0,0]=4 38625 B12R0.234 CC(=O)SCCCCOCCCCl 34a_100000230001_200010402107 [0,3,0,0,0,0|1,0,0]=4 38626 B12R0.234 CC(=O)SCCCCOCCCF 34a_100000759539_200010402107 [0,3,0,0,0,0|1,0,0]=4 38627 B12R0.234 CC(=O)SCCCCOCCCN 34a_100000182051_200010402107 [0,3,0,0,0,0|1,0,0]=4 38628 B12R0.234 CC(=O)SCCCOCCCCBr 34a_100011216708_100000038929 [0,3,0,0,0,0|0,0,1]=4 38629 B12R0.234 CC(=O)SCCCOCCCCCl 34a_100000210776_100000038929 [0,3,0,0,0,0|0,0,1]=4 38630 B12R0.234 CC(=O)SCCCOCCCCCl 7a_100000210776_100000038929 [0,3,0,0,0,0|0,0,1]=4 38631 B12R0.234 CC(=O)SCCCOCCCCF 34a_100011995726_100000038929 [0,3,0,0,0,0|0,0,1]=4 38632 B12R0.234 CC(=O)SCCCOCCCCF 7a_100011995726_100000038929 [0,3,0,0,0,0|0,0,1]=4 38633 B12R0.234 CC(=O)SCCCOCCCCI 34a_200012148704_100000038929 [0,3,0,0,0,0|0,0,1]=4 38634 B12R0.234 CC(=O)SCCCOCCCCN 34a_100000750430_100000038929 [0,3,0,0,0,0|0,0,1]=4 38635 B12R0.234 CC(=S)OCCCOCCCCBr 34a_100011216708_200135323944 [0,3,0,0,0,0|0,0,1]=4 38636 B12R0.234 CC(=S)OCCCOCCCCCl 34a_100000210776_200135323944 [0,3,0,0,0,0|0,0,1]=4 38637 B12R0.234 CC(=S)OCCCOCCCCCl 7a_100000210776_200135323944 [0,3,0,0,0,0|0,0,1]=4 38638 B12R0.234 CC(=S)OCCCOCCCCF 34a_100011995726_200135323944 [0,3,0,0,0,0|0,0,1]=4 38639 B12R0.234 CC(=S)OCCCOCCCCF 7a_100011995726_200135323944 [0,3,0,0,0,0|0,0,1]=4 38640 B12R0.234 CC(=S)OCCCOCCCCI 34a_200012148704_200135323944 [0,3,0,0,0,0|0,0,1]=4 38641 B12R0.234 CC(=S)OCCCOCCCCN 34a_100000750430_200135323944 [0,3,0,0,0,0|0,0,1]=4 38642 B12R0.234 CC(Br)CCOCCCCCCF 34a_100009893172_100015922095 [0,3,0,0,0,0|0,0,0]=3 38643 B12R0.234 CC(Br)CCOCCCCCCO 34a_100009893172_100000766143 [0,3,0,0,0,0|0,0,0]=3 38644 B12R0.234 CC(Br)COCCCCCCCO 34a_100012180447_100000760002 [0,3,0,0,0,0|1,0,0]=4 38645 B12R0.234 CC(C)CCCCCCCOCF 34a_200000210741_100015361967 [0,3,0,0,0,0|1,0,0]=4 38646 B12R0.234 CC(C)CCCCCCCOCF 7a_200000210741_100015361967 [0,3,0,0,0,0|1,0,0]=4 38647 B12R0.234 CC(C)CCCCCCNCCF 2230a_100000211014_100011217306 [0,3,0,0,0,0|1,0,0]=4 38648 B12R0.234 CC(C)CCCCCCNCCF 34a_100000211014_100011217306 [0,3,0,0,0,0|1,0,0]=4 38649 B12R0.234 CC(C)CCCCCCNCCO 2230a_100000211014_100000211926 [0,3,0,0,0,0|1,0,0]=4 38650 B12R0.234 CC(C)CCCCCCNCCO 34a_100000211014_100000211926 [0,3,0,0,0,0|1,0,0]=4 38651 B12R0.234 CC(C)CCCCCNCCCF 2230a_100011290863_100011934791 [0,3,0,0,0,0|1,0,0]=4 38652 B12R0.234 CC(C)CCCCCNCCCF 2230a_100015189416_100000210682 [0,3,0,0,0,0|1,0,0]=4 38653 B12R0.234 CC(C)CCCCCNCCCF 34a_100011290863_100011934791 [0,3,0,0,0,0|1,0,0]=4 38654 B12R0.234 CC(C)CCCCCNCCCF 34a_100015189416_100000210682 [0,3,0,0,0,0|1,0,0]=4 38655 B12R0.234 CC(C)CCCCCNCCCO 2230a_100011290863_100000230001 [0,3,0,0,0,0|1,0,0]=4 38656 B12R0.234 CC(C)CCCCCNCCCO 34a_100011290863_100000230001 [0,3,0,0,0,0|1,0,0]=4 38657 B12R0.234 CC(C)CCCCCOCCCBr 34a_100011217188_100000210682 [0,3,0,0,0,0|1,0,0]=4 38658 B12R0.234 CC(C)CCCCCOCCCCl 34a_100000230001_100000210682 [0,3,0,0,0,0|1,0,0]=4 38659 B12R0.234 CC(C)CCCCCOCCCF 34a_100000759539_100000210682 [0,3,0,0,0,0|1,0,0]=4 38660 B12R0.234 CC(C)CCCCCOCCCF 34a_100011995859_100011934791 [0,3,0,0,0,0|1,0,0]=4 38661 B12R0.234 CC(C)CCCCCOCCCF 7a_100011995859_100011934791 [0,3,0,0,0,0|1,0,0]=4 38662 B12R0.234 CC(C)CCCCCOCCCN 34a_100000182051_100000210682 [0,3,0,0,0,0|1,0,0]=4 38663 B12R0.234 CC(C)CCCCCOCCCO 34a_100011995859_100000230001 [0,3,0,0,0,0|1,0,0]=4 38664 B12R0.234 CC(C)CCCCCOCCCO 7a_100011995859_100011215043 [0,3,0,0,0,0|1,0,0]=4 38665 B12R0.234 CC(C)CCCCCSCCCF 62a_100000210682_100011934791 [0,3,0,0,0,0|1,0,0]=4 38666 B12R0.234 CC(C)CCCCCSCCCF 62a_100011934791_100000210682 [0,3,0,0,0,0|1,0,0]=4 38667 B12R0.234 CC(C)CCCCCSCCCO 62a_100000210682_100011215043 [0,3,0,0,0,0|1,0,0]=4 38668 B12R0.234 CC(C)CCCCCSCCCO 62a_100011215043_100000210682 [0,3,0,0,0,0|1,0,0]=4 38669 B12R0.234 CC(C)CCCCNCCCCO 2230a_100000750430_100011216152 [0,3,0,0,0,0|1,0,0]=4 38670 B12R0.234 CC(C)CCCCNCCCCO 34a_100000750430_100011216152 [0,3,0,0,0,0|1,0,0]=4 38671 B12R0.234 CC(C)CCCCOCCCC#N 7a_100011214890_100000687738 [0,3,0,0,0,0|0,0,1]=4 38672 B12R0.234 CC(C)CCCCOCCCC=O 7a_100011214890_200011292268 [0,3,0,0,0,0|0,0,1]=4 38673 B12R0.234 CC(C)CCCCOCCCCBr 34a_100011216708_100011216152 [0,3,0,0,0,0|0,0,0]=3 38674 B12R0.234 CC(C)CCCCOCCCCCl 34a_100000210776_100011216152 [0,3,0,0,0,0|0,0,0]=3 38675 B12R0.234 CC(C)CCCCOCCCCCl 7a_100000210776_100011216152 [0,3,0,0,0,0|0,0,0]=3 38676 B12R0.234 CC(C)CCCCOCCCCF 34a_100011214890_100000729493 [0,3,0,0,0,0|0,0,0]=3 38677 B12R0.234 CC(C)CCCCOCCCCF 34a_100011995726_100011216152 [0,3,0,0,0,0|0,0,0]=3 38678 B12R0.234 CC(C)CCCCOCCCCF 7a_100011214890_100000729493 [0,3,0,0,0,0|0,0,0]=3 38679 B12R0.234 CC(C)CCCCOCCCCF 7a_100011995726_100011216152 [0,3,0,0,0,0|0,0,0]=3 38680 B12R0.234 CC(C)CCCCOCCCCI 34a_200012148704_100011216152 [0,3,0,0,0,0|0,0,0]=3 38681 B12R0.234 CC(C)CCCCOCCCCN 34a_100000750430_100011216152 [0,3,0,0,0,0|0,0,0]=3 38682 B12R0.234 CC(C)CCCCOCCCCO 34a_100011214890_100011216708 [0,3,0,0,0,0|0,0,0]=3 38683 B12R0.234 CC(C)CCCCOCCCCO 7a_100011214890_100000210776 [0,3,0,0,0,0|0,0,0]=3 38684 B12R0.234 CC(C)CCCCSCCCCF 62a_100000729493_100011216152 [0,3,0,0,0,0|0,1,0]=4 38685 B12R0.234 CC(C)CCCCSCCCCF 62a_100011216152_100000729493 [0,3,0,0,0,0|0,1,0]=4 38686 B12R0.234 CC(C)CCCCSCCCCO 62a_100000210776_100011216152 [0,3,0,0,0,0|0,1,0]=4 38687 B12R0.234 CC(C)CCCCSCCCCO 62a_100011216152_100000210776 [0,3,0,0,0,0|0,1,0]=4 38688 B12R0.234 CC(C)CCCNCCCCC#N 2230a_200000737386_100000211819 [0,3,0,0,0,0|1,0,0]=4 38689 B12R0.234 CC(C)CCCNCCCCC=O 2230a_200000737386_100000139335 [0,3,0,0,0,0|1,0,0]=4 38690 B12R0.234 CC(C)CCCNCCCCCF 2230a_200000737386_100000729378 [0,3,0,0,0,0|1,0,0]=4 38691 B12R0.234 CC(C)CCCNCCCCCF 34a_200000737386_100000729378 [0,3,0,0,0,0|1,0,0]=4 38692 B12R0.234 CC(C)CCCNCCCCCO 2230a_100000762737_100011214892 [0,3,0,0,0,0|1,0,0]=4 38693 B12R0.234 CC(C)CCCNCCCCCO 2230a_200000737386_100000746330 [0,3,0,0,0,0|1,0,0]=4 38694 B12R0.234 CC(C)CCCNCCCCCO 34a_100000762737_100011214892 [0,3,0,0,0,0|1,0,0]=4 38695 B12R0.234 CC(C)CCCNCCCCCO 34a_200000737386_100000746330 [0,3,0,0,0,0|1,0,0]=4 38696 B12R0.234 CC(C)CCCNCCOCCO 2230a_100000211614_100011214892 [0,3,0,0,0,0|1,0,0]=4 38697 B12R0.234 CC(C)CCCNCCOCCO 2230a_200000737386_100011215305 [0,3,0,0,0,0|1,0,0]=4 38698 B12R0.234 CC(C)CCCNCCOCCO 34a_100000211614_100011214892 [0,3,0,0,0,0|1,0,0]=4 38699 B12R0.234 CC(C)CCCNCCOCCO 34a_200000737386_100000692535 [0,3,0,0,0,0|1,0,0]=4 38700 B12R0.234 CC(C)CCCNCCSCCO 2230a_100011219999_100011214892 [0,3,0,0,0,0|1,0,0]=4 38701 B12R0.234 CC(C)CCCOCCCCC#N 7a_100000210774_100000211819 [0,3,0,0,0,0|0,0,0]=3 38702 B12R0.234 CC(C)CCCOCCCCC=O 7a_100000210774_100000139335 [0,3,0,0,0,0|0,0,0]=3 38703 B12R0.234 CC(C)CCCOCCCCCBr 34a_100000746331_100011214892 [0,3,0,0,0,0|0,0,0]=3 38704 B12R0.234 CC(C)CCCOCCCCCBr 7a_100000746331_100011214892 [0,3,0,0,0,0|0,0,0]=3 38705 B12R0.234 CC(C)CCCOCCCCCCl 34a_100000746330_100011214892 [0,3,0,0,0,0|0,0,0]=3 38706 B12R0.234 CC(C)CCCOCCCCCCl 7a_100000746330_100011214892 [0,3,0,0,0,0|0,0,0]=3 38707 B12R0.234 CC(C)CCCOCCCCCF 34a_100000210774_100000729378 [0,3,0,0,0,0|0,0,0]=3 38708 B12R0.234 CC(C)CCCOCCCCCF 7a_100000210774_100000729378 [0,3,0,0,0,0|0,0,0]=3 38709 B12R0.234 CC(C)CCCOCCCCCI 34a_200012148887_100011214892 [0,3,0,0,0,0|0,0,0]=3 38710 B12R0.234 CC(C)CCCOCCCCCI 7a_200012148887_100011214892 [0,3,0,0,0,0|0,0,0]=3 38711 B12R0.234 CC(C)CCCOCCCCCN 34a_100000762737_100011214892 [0,3,0,0,0,0|0,0,0]=3 38712 B12R0.234 CC(C)CCCOCCCCCO 34a_100000210774_100000746330 [0,3,0,0,0,0|0,0,0]=3 38713 B12R0.234 CC(C)CCCOCCCCCO 7a_100000210774_100000746330 [0,3,0,0,0,0|0,0,0]=3 38714 B12R0.234 CC(C)CCCOCCOCC#N 7a_100000210774_200000047693 [0,3,0,0,0,0|0,0,1]=4 38715 B12R0.234 CC(C)CCCOCCOCCBr 34a_100000692535_100011214892 [0,3,0,0,0,0|0,0,0]=3 38716 B12R0.234 CC(C)CCCOCCOCCBr 7a_100000692535_100011214892 [0,3,0,0,0,0|0,0,0]=3 38717 B12R0.234 CC(C)CCCOCCOCCCl 34a_100011215305_100011214892 [0,3,0,0,0,0|0,0,0]=3 38718 B12R0.234 CC(C)CCCOCCOCCCl 7a_100011215305_100011214892 [0,3,0,0,0,0|0,0,0]=3 38719 B12R0.234 CC(C)CCCOCCOCCF 34a_200015357709_100011214892 [0,3,0,0,0,0|0,0,0]=3 38720 B12R0.234 CC(C)CCCOCCOCCF 7a_200015357709_100011214892 [0,3,0,0,0,0|0,0,0]=3 38721 B12R0.234 CC(C)CCCOCCOCCI 34a_100012149058_100011214892 [0,3,0,0,0,0|0,0,0]=3 38722 B12R0.234 CC(C)CCCOCCOCCI 7a_100012149058_100011214892 [0,3,0,0,0,0|0,0,0]=3 38723 B12R0.234 CC(C)CCCOCCOCCN 34a_100000211614_100011214892 [0,3,0,0,0,0|0,0,0]=3 38724 B12R0.234 CC(C)CCCOCCOCCO 34a_100000210774_100000692535 [0,3,0,0,0,0|0,0,0]=3 38725 B12R0.234 CC(C)CCCOCCOCCO 7a_100000210774_100011215305 [0,3,0,0,0,0|0,0,0]=3 38726 B12R0.234 CC(C)CCCSCCCCC#N 62a_100011214892_100000211819 [0,3,0,0,0,0|0,1,0]=4 38727 B12R0.234 CC(C)CCCSCCCCC#N 62a_100011219923_100011214892 [0,3,0,0,0,0|0,1,0]=4 38728 B12R0.234 CC(C)CCCSCCCCC=O 62a_100000139335_100011214892 [0,3,0,0,0,0|0,1,0]=4 38729 B12R0.234 CC(C)CCCSCCCCC=O 62a_100011214892_100000139335 [0,3,0,0,0,0|0,1,0]=4 38730 B12R0.234 CC(C)CCCSCCCCCF 62a_100000729378_100011214892 [0,3,0,0,0,0|0,1,0]=4 38731 B12R0.234 CC(C)CCCSCCCCCF 62a_100011214892_100000729378 [0,3,0,0,0,0|0,1,0]=4 38732 B12R0.234 CC(C)CCCSCCCCCO 62a_100000746330_100011214892 [0,3,0,0,0,0|0,1,0]=4 38733 B12R0.234 CC(C)CCCSCCCCCO 62a_100011214892_100000746330 [0,3,0,0,0,0|0,1,0]=4 38734 B12R0.234 CC(C)CCCSCCOCCO 62a_100011214892_100011215305 [0,3,0,0,0,0|0,1,0]=4 38735 B12R0.234 CC(C)CCCSCCOCCO 62a_100011215305_100011214892 [0,3,0,0,0,0|0,1,0]=4 38736 B12R0.234 CC(C)CCNCCCCCCO 2230a_100000686447_100000210312 [0,3,0,0,0,0|1,0,0]=4 38737 B12R0.234 CC(C)CCNCCCCCCO 269862a_100000686447_100000185833 [0,3,0,0,0,0|1,0,0]=4 38738 B12R0.234 CC(C)CCNCCCCCCO 34a_100000686447_100000210312 [0,3,0,0,0,0|1,0,0]=4 38739 B12R0.234 CC(C)CCOCCCCCC#N 7a_100000210254_100009813376 [0,3,0,0,0,0|0,0,0]=3 38740 B12R0.234 CC(C)CCOCCCCCC=O 7a_100000210254_100000139337 [0,3,0,0,0,0|0,0,0]=3 38741 B12R0.234 CC(C)CCOCCCCCCBr 34a_100011215345_100000210312 [0,3,0,0,0,0|0,0,0]=3 38742 B12R0.234 CC(C)CCOCCCCCCBr 7a_100011215345_100000210626 [0,3,0,0,0,0|0,0,0]=3 38743 B12R0.234 CC(C)CCOCCCCCCCl 34a_100000766143_100000210312 [0,3,0,0,0,0|0,0,0]=3 38744 B12R0.234 CC(C)CCOCCCCCCCl 7a_100000766143_100000210626 [0,3,0,0,0,0|0,0,0]=3 38745 B12R0.234 CC(C)CCOCCCCCCF 34a_100000210254_100015922095 [0,3,0,0,0,0|0,0,0]=3 38746 B12R0.234 CC(C)CCOCCCCCCF 34a_100000732779_100000210312 [0,3,0,0,0,0|0,0,0]=3 38747 B12R0.234 CC(C)CCOCCCCCCF 7a_100000210254_100015922095 [0,3,0,0,0,0|0,0,0]=3 38748 B12R0.234 CC(C)CCOCCCCCCF 7a_100000732779_100000210626 [0,3,0,0,0,0|0,0,0]=3 38749 B12R0.234 CC(C)CCOCCCCCCN 34a_100000686447_100000210312 [0,3,0,0,0,0|0,0,0]=3 38750 B12R0.234 CC(C)CCOCCCCCCO 34a_100000210254_100000766143 [0,3,0,0,0,0|0,0,0]=3 38751 B12R0.234 CC(C)CCOCCCCCCO 7a_100000210254_100000766143 [0,3,0,0,0,0|0,0,0]=3 38752 B12R0.234 CC(C)CCSCCCCCC#N 62a_100000210312_100009813376 [0,3,0,0,0,0|0,1,0]=4 38753 B12R0.234 CC(C)CCSCCCCCC#N 62a_100009813376_100000210312 [0,3,0,0,0,0|0,1,0]=4 38754 B12R0.234 CC(C)CCSCCCCCC=O 62a_100000139337_100000210312 [0,3,0,0,0,0|0,1,0]=4 38755 B12R0.234 CC(C)CCSCCCCCC=O 62a_100000210312_100000139337 [0,3,0,0,0,0|0,1,0]=4 38756 B12R0.234 CC(C)CCSCCCCCCF 62a_100000210312_100015922095 [0,3,0,0,0,0|0,1,0]=4 38757 B12R0.234 CC(C)CCSCCCCCCF 62a_100015922095_100000210312 [0,3,0,0,0,0|0,1,0]=4 38758 B12R0.234 CC(C)CCSCCCCCCO 62a_100000210312_100000766143 [0,3,0,0,0,0|0,1,0]=4 38759 B12R0.234 CC(C)CCSCCCCCCO 62a_100000766143_100000210312 [0,3,0,0,0,0|0,1,0]=4 38760 B12R0.234 CC(C)CNCCCCCCCO 2230a_100000210953_100000760002 [0,3,0,0,0,0|1,0,0]=4 38761 B12R0.234 CC(C)CNCCCCCCCO 2230a_100011996573_100000210760 [0,3,0,0,0,0|1,0,0]=4 38762 B12R0.234 CC(C)CNCCCCCCCO 270004a_100011996573_100000210432 [0,3,0,0,0,0|1,0,0]=4 38763 B12R0.234 CC(C)CNCCCCCCCO 34a_100000210953_100000760002 [0,3,0,0,0,0|1,0,0]=4 38764 B12R0.234 CC(C)CNCCCCCCCO 34a_100011996573_100000210624 [0,3,0,0,0,0|1,0,0]=4 38765 B12R0.234 CC(C)CNCCCOCCCO 2230a_100011310245_100000210760 [0,3,0,0,0,0|1,0,0]=4 38766 B12R0.234 CC(C)CNCCCOCCCO 270004a_100011310245_100000210432 [0,3,0,0,0,0|1,0,0]=4 38767 B12R0.234 CC(C)CNCCCOCCCO 34a_100011310245_100000210624 [0,3,0,0,0,0|1,0,0]=4 38768 B12R0.234 CC(C)CNCCOCCCCF 34a_100015185251_100000729493 [0,3,0,0,0,0|0,0,0]=3 38769 B12R0.234 CC(C)CNCCOCCCCO 34a_100015185251_100011216708 [0,3,0,0,0,0|0,0,0]=3 38770 B12R0.234 CC(C)COCCCCCCCBr 34a_100000760002_100000210624 [0,3,0,0,0,0|1,0,0]=4 38771 B12R0.234 CC(C)COCCCCCCCBr 7a_100000760002_100000210760 [0,3,0,0,0,0|1,0,0]=4 38772 B12R0.234 CC(C)COCCCCCCCN 34a_100011996573_100000210624 [0,3,0,0,0,0|1,0,0]=4 38773 B12R0.234 CC(C)COCCCCCCCO 34a_100000210257_100000760002 [0,3,0,0,0,0|1,0,0]=4 38774 B12R0.234 CC(C)COCCCOCCCN 34a_100011310245_100000210624 [0,3,0,0,0,0|1,0,0]=4 38775 B12R0.234 CC(C)COCCOCCCC#N 7a_100000703358_100000687738 [0,3,0,0,0,0|0,0,1]=4 38776 B12R0.234 CC(C)COCCOCCCC=O 7a_100000703358_200011292268 [0,3,0,0,0,0|0,0,1]=4 38777 B12R0.234 CC(C)COCCOCCCCF 34a_100000703358_100000729493 [0,3,0,0,0,0|0,0,0]=3 38778 B12R0.234 CC(C)COCCOCCCCF 7a_100000703358_100000729493 [0,3,0,0,0,0|0,0,0]=3 38779 B12R0.234 CC(C)COCCOCCCCO 34a_100000703358_100011216708 [0,3,0,0,0,0|0,0,0]=3 38780 B12R0.234 CC(C)COCCOCCCCO 7a_100000703358_100000210776 [0,3,0,0,0,0|0,0,0]=3 38781 B12R0.234 CC(C)CSCCCCCCCO 62a_100000210624_100000760002 [0,3,0,0,0,0|1,0,0]=4 38782 B12R0.234 CC(C)CSCCCCCCCO 62a_100000760002_100000210760 [0,3,0,0,0,0|1,0,0]=4 38783 B12R0.234 CC(C)CSCCOCCCC#N 7a_200000230437_100000687738 [0,3,0,0,0,0|0,0,1]=4 38784 B12R0.234 CC(C)CSCCOCCCC=O 7a_200000230437_200011292268 [0,3,0,0,0,0|0,0,1]=4 38785 B12R0.234 CC(C)CSCCOCCCCF 34a_200000230437_100000729493 [0,3,0,0,0,0|0,0,0]=3 38786 B12R0.234 CC(C)CSCCOCCCCF 7a_200000230437_100000729493 [0,3,0,0,0,0|0,0,0]=3 38787 B12R0.234 CC(C)CSCCOCCCCO 34a_200000230437_100011216708 [0,3,0,0,0,0|0,0,0]=3 38788 B12R0.234 CC(C)CSCCOCCCCO 7a_200000230437_100000210776 [0,3,0,0,0,0|0,0,0]=3 38789 B12R0.234 CC(C)NCCCCCCCCO 2230a_100138425928_100000033203 [0,3,0,0,0,0|1,0,0]=4 38790 B12R0.234 CC(C)NCCCCCCCCO 2230a_102515433106_100000210206 [0,3,0,0,0,0|1,0,0]=4 38791 B12R0.234 CC(C)NCCCCCCCCO 34a_100138425928_100000033203 [0,3,0,0,0,0|1,0,0]=4 38792 B12R0.234 CC(C)NCCCCCCCCO 34a_102515433106_100000210206 [0,3,0,0,0,0|1,0,0]=4 38793 B12R0.234 CC(C)NCCCCOCCCF 34a_100011521146_100011934791 [0,3,0,0,0,0|1,0,0]=4 38794 B12R0.234 CC(C)NCCCCOCCCO 34a_100011521146_100000230001 [0,3,0,0,0,0|1,0,0]=4 38795 B12R0.234 CC(C)NCCCOCCCCF 34a_100000182298_100000729493 [0,3,0,0,0,0|0,0,0]=3 38796 B12R0.234 CC(C)NCCCOCCCCO 34a_100000182298_100011216708 [0,3,0,0,0,0|0,0,0]=3 38797 B12R0.234 CC(C)NCCOCCCCCF 34a_100000224655_100000729378 [0,3,0,0,0,0|0,0,0]=3 38798 B12R0.234 CC(C)NCCOCCCCCO 34a_100000224655_100000746330 [0,3,0,0,0,0|0,0,0]=3 38799 B12R0.234 CC(C)NCCOCCOCCO 2230a_100011998139_100000210206 [0,3,0,0,0,0|1,0,0]=4 38800 B12R0.234 CC(C)NCCOCCOCCO 2230a_100138425928_100000032323 [0,3,0,0,0,0|1,0,0]=4 38801 B12R0.234 CC(C)NCCOCCOCCO 34a_100000224655_100000692535 [0,3,0,0,0,0|1,0,0]=4 38802 B12R0.234 CC(C)NCCOCCOCCO 34a_100011998139_100000210206 [0,3,0,0,0,0|1,0,0]=4 38803 B12R0.234 CC(C)NCCOCCOCCO 34a_100138425928_100000032323 [0,3,0,0,0,0|1,0,0]=4 38804 B12R0.234 CC(C)OCCCCCCCCBr 34a_100009813846_100000210206 [0,3,0,0,0,0|1,0,0]=4 38805 B12R0.234 CC(C)OCCCCCCCCBr 7a_100009813846_100000210206 [0,3,0,0,0,0|1,0,0]=4 38806 B12R0.234 CC(C)OCCCCCCCCCl 34a_100000033203_100000210206 [0,3,0,0,0,0|1,0,0]=4 38807 B12R0.234 CC(C)OCCCCCCCCCl 7a_100000033203_100000210206 [0,3,0,0,0,0|1,0,0]=4 38808 B12R0.234 CC(C)OCCCCCCCCN 34a_102515433106_100000210206 [0,3,0,0,0,0|1,0,0]=4 38809 B12R0.234 CC(C)OCCCCCCCCO 34a_100000212225_100000033203 [0,3,0,0,0,0|1,0,0]=4 38810 B12R0.234 CC(C)OCCCNCCCCF 2230a_100000737246_100000729493 [0,3,0,0,0,0|1,0,0]=4 38811 B12R0.234 CC(C)OCCCNCCCCF 34a_100000737246_100000729493 [0,3,0,0,0,0|1,0,0]=4 38812 B12R0.234 CC(C)OCCCNCCCCO 2230a_100000737246_100000210776 [0,3,0,0,0,0|1,0,0]=4 38813 B12R0.234 CC(C)OCCCNCCCCO 34a_100000737246_100011216708 [0,3,0,0,0,0|1,0,0]=4 38814 B12R0.234 CC(C)OCCNCCCCCF 2230a_100000701111_100000729378 [0,3,0,0,0,0|1,0,0]=4 38815 B12R0.234 CC(C)OCCNCCCCCF 34a_100000701111_100000729378 [0,3,0,0,0,0|1,0,0]=4 38816 B12R0.234 CC(C)OCCNCCCCCO 2230a_100000701111_100000746330 [0,3,0,0,0,0|1,0,0]=4 38817 B12R0.234 CC(C)OCCNCCCCCO 2230a_100000762737_100000211751 [0,3,0,0,0,0|1,0,0]=4 38818 B12R0.234 CC(C)OCCNCCCCCO 34a_100000701111_100000746330 [0,3,0,0,0,0|1,0,0]=4 38819 B12R0.234 CC(C)OCCNCCCCCO 34a_100000762737_100000211751 [0,3,0,0,0,0|1,0,0]=4 38820 B12R0.234 CC(C)OCCOCCCCC#N 7a_100000211219_100000211819 [0,3,0,0,0,0|0,0,1]=4 38821 B12R0.234 CC(C)OCCOCCCCC=O 7a_100000211219_100000139335 [0,3,0,0,0,0|0,0,1]=4 38822 B12R0.234 CC(C)OCCOCCCCCBr 34a_100000746331_100000211751 [0,3,0,0,0,0|0,0,0]=3 38823 B12R0.234 CC(C)OCCOCCCCCBr 7a_100000746331_100000211751 [0,3,0,0,0,0|0,0,0]=3 38824 B12R0.234 CC(C)OCCOCCCCCCl 34a_100000746330_100000211751 [0,3,0,0,0,0|0,0,0]=3 38825 B12R0.234 CC(C)OCCOCCCCCCl 7a_100000746330_100000211751 [0,3,0,0,0,0|0,0,0]=3 38826 B12R0.234 CC(C)OCCOCCCCCF 34a_100000211219_100000729378 [0,3,0,0,0,0|0,0,0]=3 38827 B12R0.234 CC(C)OCCOCCCCCF 7a_100000211219_100000729378 [0,3,0,0,0,0|0,0,0]=3 38828 B12R0.234 CC(C)OCCOCCCCCI 34a_200012148887_100000211751 [0,3,0,0,0,0|0,0,0]=3 38829 B12R0.234 CC(C)OCCOCCCCCI 7a_200012148887_100000211751 [0,3,0,0,0,0|0,0,0]=3 38830 B12R0.234 CC(C)OCCOCCCCCN 34a_100000762737_100000211751 [0,3,0,0,0,0|0,0,0]=3 38831 B12R0.234 CC(C)OCCOCCCCCO 34a_100000211219_100000746330 [0,3,0,0,0,0|0,0,0]=3 38832 B12R0.234 CC(C)OCCOCCCCCO 7a_100000211219_100000746330 [0,3,0,0,0,0|0,0,0]=3 38833 B12R0.234 CC(C)OCCOCCOCCBr 34a_100000692535_100000211751 [0,3,0,0,0,0|1,0,0]=4 38834 B12R0.234 CC(C)OCCOCCOCCBr 34a_100010132937_100000210206 [0,3,0,0,0,0|1,0,0]=4 38835 B12R0.234 CC(C)OCCOCCOCCBr 7a_100000692535_100000211751 [0,3,0,0,0,0|1,0,0]=4 38836 B12R0.234 CC(C)OCCOCCOCCBr 7a_100010132937_100000210206 [0,3,0,0,0,0|1,0,0]=4 38837 B12R0.234 CC(C)OCCOCCOCCCl 34a_100000032323_100000210206 [0,3,0,0,0,0|1,0,0]=4 38838 B12R0.234 CC(C)OCCOCCOCCCl 34a_100011215305_100000211751 [0,3,0,0,0,0|1,0,0]=4 38839 B12R0.234 CC(C)OCCOCCOCCCl 7a_100000032323_100000210206 [0,3,0,0,0,0|1,0,0]=4 38840 B12R0.234 CC(C)OCCOCCOCCCl 7a_100011215305_100000211751 [0,3,0,0,0,0|1,0,0]=4 38841 B12R0.234 CC(C)OCCOCCOCCF 34a_200015357709_100000211751 [0,3,0,0,0,0|1,0,0]=4 38842 B12R0.234 CC(C)OCCOCCOCCF 7a_200015357709_100000211751 [0,3,0,0,0,0|1,0,0]=4 38843 B12R0.234 CC(C)OCCOCCOCCI 34a_100012149058_100000211751 [0,3,0,0,0,0|1,0,0]=4 38844 B12R0.234 CC(C)OCCOCCOCCI 7a_100012149058_100000211751 [0,3,0,0,0,0|1,0,0]=4 38845 B12R0.234 CC(C)OCCOCCOCCN 34a_100000211614_100000211751 [0,3,0,0,0,0|1,0,0]=4 38846 B12R0.234 CC(C)OCCOCCOCCN 34a_100011998139_100000210206 [0,3,0,0,0,0|1,0,0]=4 38847 B12R0.234 CC(C)OCCOCCOCCO 34a_100000211219_100000692535 [0,3,0,0,0,0|1,0,0]=4 38848 B12R0.234 CC(C)OCCOCCOCCO 34a_100000212225_100000032323 [0,3,0,0,0,0|1,0,0]=4 38849 B12R0.234 CC(C)OCCOCCOCCO 7a_100000211219_100011215305 [0,3,0,0,0,0|1,0,0]=4 38850 B12R0.234 CC(C)OCCSCCCCCF 62a_100000211751_100000729378 [0,3,0,0,0,0|0,1,0]=4 38851 B12R0.234 CC(C)OCCSCCCCCF 62a_100000729378_100000211751 [0,3,0,0,0,0|0,1,0]=4 38852 B12R0.234 CC(C)OCCSCCCCCO 62a_100000211751_100000746330 [0,3,0,0,0,0|0,1,0]=4 38853 B12R0.234 CC(C)OCCSCCCCCO 62a_100000746330_100000211751 [0,3,0,0,0,0|0,1,0]=4 38854 B12R0.234 CC(C)OCOCCCCCCBr 34a_100011215345_100000709892 [0,3,0,0,0,0|1,0,0]=4 38855 B12R0.234 CC(C)OCOCCCCCCCl 34a_100000766143_100000709892 [0,3,0,0,0,0|1,0,0]=4 38856 B12R0.234 CC(C)OCOCCCCCCF 34a_100000732779_100000709892 [0,3,0,0,0,0|1,0,0]=4 38857 B12R0.234 CC(C)OCOCCCCCCN 34a_100000686447_100000709892 [0,3,0,0,0,0|1,0,0]=4 38858 B12R0.234 CC(C)SCCCCCCCCO 62a_100000033203_100000210206 [0,3,0,0,0,0|1,0,0]=4 38859 B12R0.234 CC(C)SCCCCCCCCO 62a_100000210206_100000033203 [0,3,0,0,0,0|1,0,0]=4 38860 B12R0.234 CC(C)SCCNCCCCCF 2230a_100000731138_100000729378 [0,3,0,0,0,0|1,0,0]=4 38861 B12R0.234 CC(C)SCCNCCCCCF 34a_100000731138_100000729378 [0,3,0,0,0,0|1,0,0]=4 38862 B12R0.234 CC(C)SCCNCCCCCO 2230a_100000731138_100000746330 [0,3,0,0,0,0|1,0,0]=4 38863 B12R0.234 CC(C)SCCNCCCCCO 2230a_100000762737_100000730970 [0,3,0,0,0,0|1,0,0]=4 38864 B12R0.234 CC(C)SCCNCCCCCO 34a_100000731138_100000746330 [0,3,0,0,0,0|1,0,0]=4 38865 B12R0.234 CC(C)SCCNCCCCCO 34a_100000762737_100000730970 [0,3,0,0,0,0|1,0,0]=4 38866 B12R0.234 CC(C)SCCOCCCCC#N 7a_200011212901_100000211819 [0,3,0,0,0,0|0,0,1]=4 38867 B12R0.234 CC(C)SCCOCCCCC=O 7a_200011212901_100000139335 [0,3,0,0,0,0|0,0,1]=4 38868 B12R0.234 CC(C)SCCOCCCCCBr 34a_100000746331_100000730970 [0,3,0,0,0,0|0,0,0]=3 38869 B12R0.234 CC(C)SCCOCCCCCBr 7a_100000746331_100000730970 [0,3,0,0,0,0|0,0,0]=3 38870 B12R0.234 CC(C)SCCOCCCCCCl 34a_100000746330_100000730970 [0,3,0,0,0,0|0,0,0]=3 38871 B12R0.234 CC(C)SCCOCCCCCCl 7a_100000746330_100000730970 [0,3,0,0,0,0|0,0,0]=3 38872 B12R0.234 CC(C)SCCOCCCCCF 34a_200011212901_100000729378 [0,3,0,0,0,0|0,0,0]=3 38873 B12R0.234 CC(C)SCCOCCCCCF 7a_200011212901_100000729378 [0,3,0,0,0,0|0,0,0]=3 38874 B12R0.234 CC(C)SCCOCCCCCI 34a_200012148887_100000730970 [0,3,0,0,0,0|0,0,0]=3 38875 B12R0.234 CC(C)SCCOCCCCCI 7a_200012148887_100000730970 [0,3,0,0,0,0|0,0,0]=3 38876 B12R0.234 CC(C)SCCOCCCCCN 34a_100000762737_100000730970 [0,3,0,0,0,0|0,0,0]=3 38877 B12R0.234 CC(C)SCCOCCCCCO 34a_200011212901_100000746330 [0,3,0,0,0,0|0,0,0]=3 38878 B12R0.234 CC(C)SCCOCCCCCO 7a_200011212901_100000746330 [0,3,0,0,0,0|0,0,0]=3 38879 B12R0.234 CC(C)SCCOCCOCCBr 34a_100000692535_100000730970 [0,3,0,0,0,0|1,0,0]=4 38880 B12R0.234 CC(C)SCCOCCOCCBr 7a_100000692535_100000730970 [0,3,0,0,0,0|1,0,0]=4 38881 B12R0.234 CC(C)SCCOCCOCCCl 34a_100011215305_100000730970 [0,3,0,0,0,0|1,0,0]=4 38882 B12R0.234 CC(C)SCCOCCOCCCl 7a_100011215305_100000730970 [0,3,0,0,0,0|1,0,0]=4 38883 B12R0.234 CC(C)SCCOCCOCCF 34a_200015357709_100000730970 [0,3,0,0,0,0|1,0,0]=4 38884 B12R0.234 CC(C)SCCOCCOCCF 7a_200015357709_100000730970 [0,3,0,0,0,0|1,0,0]=4 38885 B12R0.234 CC(C)SCCOCCOCCI 34a_100012149058_100000730970 [0,3,0,0,0,0|1,0,0]=4 38886 B12R0.234 CC(C)SCCOCCOCCI 7a_100012149058_100000730970 [0,3,0,0,0,0|1,0,0]=4 38887 B12R0.234 CC(C)SCCOCCOCCN 34a_100000211614_100000730970 [0,3,0,0,0,0|1,0,0]=4 38888 B12R0.234 CC(C)SCCOCCOCCO 34a_200011212901_100000692535 [0,3,0,0,0,0|1,0,0]=4 38889 B12R0.234 CC(C)SCCOCCOCCO 62a_100000032323_100000210206 [0,3,0,0,0,0|1,0,0]=4 38890 B12R0.234 CC(C)SCCOCCOCCO 62a_100000210206_100000032323 [0,3,0,0,0,0|1,0,0]=4 38891 B12R0.234 CC(C)SCCOCCOCCO 7a_200011212901_100011215305 [0,3,0,0,0,0|1,0,0]=4 38892 B12R0.234 CC(C)SCCSCCCCCF 62a_100000729378_100000730970 [0,3,0,0,0,0|0,1,0]=4 38893 B12R0.234 CC(C)SCCSCCCCCF 62a_100000730970_100000729378 [0,3,0,0,0,0|0,1,0]=4 38894 B12R0.234 CC(C)SCCSCCCCCO 62a_100000730970_100000746330 [0,3,0,0,0,0|0,1,0]=4 38895 B12R0.234 CC(C)SCCSCCCCCO 62a_100000746330_100000730970 [0,3,0,0,0,0|0,1,0]=4 38896 B12R0.234 CC(F)COCCCCCCCO 34a_100015925927_100000760002 [0,3,0,0,0,0|1,0,0]=4 38897 B12R0.234 CC(O)CCCNCCCCCO 2230a_100000762737_200000718107 [0,3,0,0,0,0|1,0,0]=4 38898 B12R0.234 CC(O)CCCNCCCCCO 34a_100000762737_200000718107 [0,3,0,0,0,0|1,0,0]=4 38899 B12R0.234 CC(O)CCCNCCOCCO 2230a_100000211614_200000718107 [0,3,0,0,0,0|1,0,0]=4 38900 B12R0.234 CC(O)CCCNCCOCCO 34a_100000211614_200000718107 [0,3,0,0,0,0|1,0,0]=4 38901 B12R0.234 CC(O)CCCNCCSCCO 2230a_100011219999_200000718107 [0,3,0,0,0,0|1,0,0]=4 38902 B12R0.234 CC(O)CCCOCCCCCBr 34a_100000746331_200000718107 [0,3,0,0,0,0|0,0,0]=3 38903 B12R0.234 CC(O)CCCOCCCCCBr 7a_100000746331_200000718107 [0,3,0,0,0,0|0,0,0]=3 38904 B12R0.234 CC(O)CCCOCCCCCCl 34a_100000746330_200000718107 [0,3,0,0,0,0|0,0,0]=3 38905 B12R0.234 CC(O)CCCOCCCCCCl 7a_100000746330_200000718107 [0,3,0,0,0,0|0,0,0]=3 38906 B12R0.234 CC(O)CCCOCCCCCI 34a_200012148887_200000718107 [0,3,0,0,0,0|0,0,0]=3 38907 B12R0.234 CC(O)CCCOCCCCCI 7a_200012148887_200000718107 [0,3,0,0,0,0|0,0,0]=3 38908 B12R0.234 CC(O)CCCOCCCCCN 34a_100000762737_200000718107 [0,3,0,0,0,0|0,0,0]=3 38909 B12R0.234 CC(O)CCCOCCOCCBr 34a_100000692535_200000718107 [0,3,0,0,0,0|0,0,0]=3 38910 B12R0.234 CC(O)CCCOCCOCCBr 7a_100000692535_200000718107 [0,3,0,0,0,0|0,0,0]=3 38911 B12R0.234 CC(O)CCCOCCOCCCl 34a_100011215305_200000718107 [0,3,0,0,0,0|0,0,0]=3 38912 B12R0.234 CC(O)CCCOCCOCCCl 7a_100011215305_200000718107 [0,3,0,0,0,0|0,0,0]=3 38913 B12R0.234 CC(O)CCCOCCOCCF 34a_200015357709_200000718107 [0,3,0,0,0,0|0,0,0]=3 38914 B12R0.234 CC(O)CCCOCCOCCF 7a_200015357709_200000718107 [0,3,0,0,0,0|0,0,0]=3 38915 B12R0.234 CC(O)CCCOCCOCCI 34a_100012149058_200000718107 [0,3,0,0,0,0|0,0,0]=3 38916 B12R0.234 CC(O)CCCOCCOCCI 7a_100012149058_200000718107 [0,3,0,0,0,0|0,0,0]=3 38917 B12R0.234 CC(O)CCCOCCOCCN 34a_100000211614_200000718107 [0,3,0,0,0,0|0,0,0]=3 38918 B12R0.234 CC(O)CCCSCCCCC#N 62a_100011219923_200000718107 [0,3,0,0,0,0|0,1,0]=4 38919 B12R0.234 CC(O)CCCSCCCCC#N 62a_200000718107_100000211819 [0,3,0,0,0,0|0,1,0]=4 38920 B12R0.234 CC(O)CCCSCCCCC=O 62a_100000139335_200000718107 [0,3,0,0,0,0|0,1,0]=4 38921 B12R0.234 CC(O)CCCSCCCCC=O 62a_200000718107_100000139335 [0,3,0,0,0,0|0,1,0]=4 38922 B12R0.234 CC(O)CCCSCCCCCF 62a_100000729378_200000718107 [0,3,0,0,0,0|0,1,0]=4 38923 B12R0.234 CC(O)CCCSCCCCCF 62a_200000718107_100000729378 [0,3,0,0,0,0|0,1,0]=4 38924 B12R0.234 CC(O)CCCSCCCCCO 62a_100000746330_200000718107 [0,3,0,0,0,0|0,1,0]=4 38925 B12R0.234 CC(O)CCCSCCCCCO 62a_200000718107_100000746330 [0,3,0,0,0,0|0,1,0]=4 38926 B12R0.234 CC(O)CCCSCCOCCO 62a_100011215305_200000718107 [0,3,0,0,0,0|0,1,0]=4 38927 B12R0.234 CC(O)CCCSCCOCCO 62a_200000718107_100011215305 [0,3,0,0,0,0|0,1,0]=4 38928 B12R0.234 CC(O)CCNCCCCCC#N 2230a_200000755665_100009813376 [0,3,0,0,0,0|1,0,0]=4 38929 B12R0.234 CC(O)CCNCCCCCC=O 2230a_200000755665_100000139337 [0,3,0,0,0,0|1,0,0]=4 38930 B12R0.234 CC(O)CCNCCCCCCF 2230a_200000755665_100015922095 [0,3,0,0,0,0|1,0,0]=4 38931 B12R0.234 CC(O)CCNCCCCCCO 2230a_100000686447_100012276601 [0,3,0,0,0,0|1,0,0]=4 38932 B12R0.234 CC(O)CCNCCCCCCO 2230a_200000755665_100000766143 [0,3,0,0,0,0|1,0,0]=4 38933 B12R0.234 CC(O)CCNCCCCCCO 34a_100000686447_100012276601 [0,3,0,0,0,0|1,0,0]=4 38934 B12R0.234 CC(O)CCOCCCCCCBr 34a_100011215345_100012276601 [0,3,0,0,0,0|0,0,0]=3 38935 B12R0.234 CC(O)CCOCCCCCCBr 7a_100011215345_100012276601 [0,3,0,0,0,0|0,0,0]=3 38936 B12R0.234 CC(O)CCOCCCCCCCl 34a_100000766143_100012276601 [0,3,0,0,0,0|0,0,0]=3 38937 B12R0.234 CC(O)CCOCCCCCCCl 7a_100000766143_100012276601 [0,3,0,0,0,0|0,0,0]=3 38938 B12R0.234 CC(O)CCOCCCCCCF 34a_100000732779_100012276601 [0,3,0,0,0,0|0,0,0]=3 38939 B12R0.234 CC(O)CCOCCCCCCF 7a_100000732779_100012276601 [0,3,0,0,0,0|0,0,0]=3 38940 B12R0.234 CC(O)CCOCCCCCCN 34a_100000686447_100012276601 [0,3,0,0,0,0|0,0,0]=3 38941 B12R0.234 CC(O)CCSCCCCCC#N 62a_100009813376_100012276601 [0,3,0,0,0,0|0,1,0]=4 38942 B12R0.234 CC(O)CCSCCCCCC#N 62a_100012276601_100009813376 [0,3,0,0,0,0|0,1,0]=4 38943 B12R0.234 CC(O)CCSCCCCCC=O 62a_100000139337_100012276601 [0,3,0,0,0,0|0,1,0]=4 38944 B12R0.234 CC(O)CCSCCCCCC=O 62a_100012276601_100000139337 [0,3,0,0,0,0|0,1,0]=4 38945 B12R0.234 CC(O)CCSCCCCCCF 62a_100012276601_100015922095 [0,3,0,0,0,0|0,1,0]=4 38946 B12R0.234 CC(O)CCSCCCCCCF 62a_100015922095_100012276601 [0,3,0,0,0,0|0,1,0]=4 38947 B12R0.234 CC(O)CCSCCCCCCO 62a_100000766143_100012276601 [0,3,0,0,0,0|0,1,0]=4 38948 B12R0.234 CC(O)CCSCCCCCCO 62a_100012276601_100000766143 [0,3,0,0,0,0|0,1,0]=4 38949 B12R0.234 CC(O)CNCCCCCCCO 2230a_100000210904_100000760002 [0,3,0,0,0,0|1,0,0]=4 38950 B12R0.234 CC(O)CNCCCCCCCO 2230a_100011996573_100011218427 [0,3,0,0,0,0|1,0,0]=4 38951 B12R0.234 CC(O)CNCCCCCCCO 34a_100000210904_100000760002 [0,3,0,0,0,0|1,0,0]=4 38952 B12R0.234 CC(O)CNCCCCCCCO 34a_100011996573_100011218427 [0,3,0,0,0,0|1,0,0]=4 38953 B12R0.234 CC(O)CNCCCOCCCO 2230a_100011310245_100011218427 [0,3,0,0,0,0|1,0,0]=4 38954 B12R0.234 CC(O)CNCCCOCCCO 34a_100011310245_100011218427 [0,3,0,0,0,0|1,0,0]=4 38955 B12R0.234 CC(O)COCCCCCCCBr 34a_100000760002_100011218427 [0,3,0,0,0,0|1,0,0]=4 38956 B12R0.234 CC(O)COCCCCCCCBr 7a_100000760002_100011218427 [0,3,0,0,0,0|1,0,0]=4 38957 B12R0.234 CC(O)COCCCCCCCN 34a_100011996573_100011218427 [0,3,0,0,0,0|1,0,0]=4 38958 B12R0.234 CC(O)COCCCOCCCN 34a_100011310245_100011218427 [0,3,0,0,0,0|1,0,0]=4 38959 B12R0.234 CC(O)CSCCCCCCCO 62a_100000760002_100011218427 [0,3,0,0,0,0|1,0,0]=4 38960 B12R0.234 CC(O)CSCCCCCCCO 62a_100011218427_100000760002 [0,3,0,0,0,0|1,0,0]=4 38961 B12R0.234 CC/C=C/CCCOCCC(=O)C 7a_100016287902_100000053229 [0,3,0,0,0,0|0,0,1]=4 38962 B12R0.234 CC/C=C/CCCOCCC(C)C 34a_100016287902_100000210312 [0,3,0,0,0,0|0,0,0]=3 38963 B12R0.234 CC/C=C/CCCOCCC(C)C 7a_100016287902_100000210626 [0,3,0,0,0,0|0,0,0]=3 38964 B12R0.234 CC/C=C/CCCOCCC(C)O 34a_100016287902_100012276601 [0,3,0,0,0,0|0,0,0]=3 38965 B12R0.234 CC/C=C/CCCOCCC(C)O 7a_100016287902_100012276601 [0,3,0,0,0,0|0,0,0]=3 38966 B12R0.234 CC/C=C/CCCOCCN(C)C 7a_100016287902_100000755713 [0,3,0,0,0,0|1,0,0]=4 38967 B12R0.234 CC/C=C/CCCOCOC(C)C 34a_100016287902_100000709892 [0,3,0,0,0,0|1,0,0]=4 38968 B12R0.234 CC/C=C\CCNCCCC(C)C 2230a_200000737386_100015370543 [0,3,0,0,0,0|1,0,0]=4 38969 B12R0.234 CC/C=C\CCNCCCC(C)C 34a_200000737386_100015370543 [0,3,0,0,0,0|1,0,0]=4 38970 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100000759063_100015370543 [0,3,0,0,0,0|0,0,1]=4 38971 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100016288707_100000685027 [0,3,0,0,0,0|0,0,1]=4 38972 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100000759063_100015370543 [0,3,0,0,0,0|0,0,1]=4 38973 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100016288707_100011215641 [0,3,0,0,0,0|0,0,1]=4 38974 B12R0.234 CC/C=C\CCOCCCC(C)C 34a_100000210774_100015370543 [0,3,0,0,0,0|0,0,0]=3 38975 B12R0.234 CC/C=C\CCOCCCC(C)C 34a_100016288707_100011214892 [0,3,0,0,0,0|0,0,0]=3 38976 B12R0.234 CC/C=C\CCOCCCC(C)C 7a_100000210774_100015370543 [0,3,0,0,0,0|0,0,0]=3 38977 B12R0.234 CC/C=C\CCOCCCC(C)C 7a_100016288707_100011214892 [0,3,0,0,0,0|0,0,0]=3 38978 B12R0.234 CC/C=C\CCOCCCC(C)O 34a_100016288707_200000718107 [0,3,0,0,0,0|0,0,0]=3 38979 B12R0.234 CC/C=C\CCOCCCC(C)O 7a_100016288707_200000718107 [0,3,0,0,0,0|0,0,0]=3 38980 B12R0.234 CC/C=C\CCOCCCN(C)C 7a_100016288707_100000757444 [0,3,0,0,0,0|0,0,1]=4 38981 B12R0.234 CC/C=C\CCOCCNC(C)C 34a_100000224655_100015370543 [0,3,0,0,0,0|0,0,1]=4 38982 B12R0.234 CC/C=C\CCOCCOC(C)C 34a_100000211219_100015370543 [0,3,0,0,0,0|0,0,1]=4 38983 B12R0.234 CC/C=C\CCOCCOC(C)C 34a_100016288707_100000211751 [0,3,0,0,0,0|0,0,1]=4 38984 B12R0.234 CC/C=C\CCOCCOC(C)C 7a_100000211219_100015370543 [0,3,0,0,0,0|0,0,1]=4 38985 B12R0.234 CC/C=C\CCOCCOC(C)C 7a_100016288707_100000211751 [0,3,0,0,0,0|0,0,1]=4 38986 B12R0.234 CC/C=C\CCOCCSC(C)C 34a_100016288707_100000730970 [0,3,0,0,0,0|0,0,1]=4 38987 B12R0.234 CC/C=C\CCOCCSC(C)C 34a_200011212901_100015370543 [0,3,0,0,0,0|0,0,1]=4 38988 B12R0.234 CC/C=C\CCOCCSC(C)C 7a_100016288707_100000730970 [0,3,0,0,0,0|0,0,1]=4 38989 B12R0.234 CC/C=C\CCOCCSC(C)C 7a_200011212901_100015370543 [0,3,0,0,0,0|0,0,1]=4 38990 B12R0.234 CC/C=C\CCSCCCC(C)C 62a_100011214892_100015370543 [0,3,0,0,0,0|0,1,0]=4 38991 B12R0.234 CC/C=C\CCSCCCC(C)C 62a_100015370543_100011214892 [0,3,0,0,0,0|0,1,0]=4 38992 B12R0.234 CC/C=C\CCSCCCC(C)O 62a_100015370543_200000718107 [0,3,0,0,0,0|0,1,0]=4 38993 B12R0.234 CC/C=C\CCSCCCC(C)O 62a_200000718107_100015370543 [0,3,0,0,0,0|0,1,0]=4 38994 B12R0.234 CC/C=C\COCCCCC(=O)C 34a_100016268518_100009817362 [0,3,0,0,0,0|0,0,1]=4 38995 B12R0.234 CC/C=C\COCCCCC(C)C 34a_100011214890_100103147603 [0,3,0,0,0,0|0,0,1]=4 38996 B12R0.234 CC/C=C\COCCCCC(C)C 34a_100016268518_100011216152 [0,3,0,0,0,0|0,0,1]=4 38997 B12R0.234 CC/C=C\COCCCCC(C)C 7a_100011214890_100103147603 [0,3,0,0,0,0|0,0,1]=4 38998 B12R0.234 CC/C=C\COCCCNC(C)C 34a_100000182298_100103147603 [0,3,0,0,0,0|0,0,1]=4 38999 B12R0.234 CC/C=C\COCCNCC(C)C 34a_100015185251_100103147603 [0,3,0,0,0,0|0,0,1]=4 39000 B12R0.234 CC/C=C\COCCOCC(C)C 34a_100000703358_100103147603 [0,3,0,0,0,0|0,0,1]=4 39001 B12R0.234 CC/C=C\COCCOCC(C)C 7a_100000703358_100103147603 [0,3,0,0,0,0|0,0,1]=4 39002 B12R0.234 CC/C=C\COCCSCC(C)C 34a_200000230437_100103147603 [0,3,0,0,0,0|0,0,1]=4 39003 B12R0.234 CC/C=C\COCCSCC(C)C 7a_200000230437_100103147603 [0,3,0,0,0,0|0,0,1]=4 39004 B12R0.234 CC=C=CCCOCCCC(C)C 34a_100011020354_100011214892 [0,3,0,0,0,0|0,0,1]=4 39005 B12R0.234 CC=C=CCCOCCCC(C)O 34a_100011020354_200000718107 [0,3,0,0,0,0|0,0,1]=4 39006 B12R0.234 CC=CCCCOCCCC(=O)C 34a_100020645299_100000685027 [0,3,0,0,0,0|0,0,1]=4 39007 B12R0.234 CC=CCCCOCCCC(C)C 34a_100020645299_100011214892 [0,3,0,0,0,0|0,0,0]=3 39008 B12R0.234 CC=CCCCOCCCC(C)O 34a_100020645299_200000718107 [0,3,0,0,0,0|0,0,0]=3 39009 B12R0.234 CC=CCCCOCCOC(C)C 34a_100020645299_100000211751 [0,3,0,0,0,0|0,0,1]=4 39010 B12R0.234 CC=CCCCOCCSC(C)C 34a_100020645299_100000730970 [0,3,0,0,0,0|0,0,1]=4 39011 B12R0.234 CCC#CCCOCCCC(=O)C 34a_100000036655_100000685027 [0,3,0,0,0,0|0,0,1]=4 39012 B12R0.234 CCC#CCCOCCCC(=O)C 7a_100000036655_100011215641 [0,3,0,0,0,0|0,0,1]=4 39013 B12R0.234 CCC#CCCOCCCC(C)C 34a_100000036655_100011214892 [0,3,0,0,0,0|0,0,0]=3 39014 B12R0.234 CCC#CCCOCCCC(C)C 7a_100000036655_100011214892 [0,3,0,0,0,0|0,0,0]=3 39015 B12R0.234 CCC#CCCOCCCC(C)O 34a_100000036655_200000718107 [0,3,0,0,0,0|0,0,0]=3 39016 B12R0.234 CCC#CCCOCCCC(C)O 7a_100000036655_200000718107 [0,3,0,0,0,0|0,0,0]=3 39017 B12R0.234 CCC#CCCOCCCN(C)C 7a_100000036655_100000757444 [0,3,0,0,0,0|0,0,1]=4 39018 B12R0.234 CCC#CCCOCCOC(C)C 34a_100000036655_100000211751 [0,3,0,0,0,0|0,0,1]=4 39019 B12R0.234 CCC#CCCOCCOC(C)C 7a_100000036655_100000211751 [0,3,0,0,0,0|0,0,1]=4 39020 B12R0.234 CCC#CCCOCCSC(C)C 34a_100000036655_100000730970 [0,3,0,0,0,0|0,0,1]=4 39021 B12R0.234 CCC#CCCOCCSC(C)C 7a_100000036655_100000730970 [0,3,0,0,0,0|0,0,1]=4 39022 B12R0.234 CCC#CCOCCCCC(=O)C 34a_100000032950_100009817362 [0,3,0,0,0,0|0,0,1]=4 39023 B12R0.234 CCC#CCOCCCCC(C)C 34a_100000032950_100011216152 [0,3,0,0,0,0|0,0,1]=4 39024 B12R0.234 CCC#CCOCCCCC(C)C 34a_100011214890_100009813939 [0,3,0,0,0,0|0,0,1]=4 39025 B12R0.234 CCC#CCOCCCCC(C)C 7a_100011214890_100009813939 [0,3,0,0,0,0|0,0,1]=4 39026 B12R0.234 CCC#CCOCCCNC(C)C 34a_100000182298_100009813939 [0,3,0,0,0,0|0,0,1]=4 39027 B12R0.234 CCC#CCOCCNCC(C)C 34a_100015185251_100009813939 [0,3,0,0,0,0|0,0,1]=4 39028 B12R0.234 CCC#CCOCCOCC(C)C 34a_100000703358_100009813939 [0,3,0,0,0,0|0,0,1]=4 39029 B12R0.234 CCC#CCOCCOCC(C)C 7a_100000703358_100009813939 [0,3,0,0,0,0|0,0,1]=4 39030 B12R0.234 CCC#CCOCCSCC(C)C 34a_200000230437_100009813939 [0,3,0,0,0,0|0,0,1]=4 39031 B12R0.234 CCC#CCOCCSCC(C)C 7a_200000230437_100009813939 [0,3,0,0,0,0|0,0,1]=4 39032 B12R0.234 CCC/C=C/COCCCC(=O)C 34a_100016278788_100000685027 [0,3,0,0,0,0|0,0,1]=4 39033 B12R0.234 CCC/C=C/COCCCC(=O)C 7a_100016278788_100011215641 [0,3,0,0,0,0|0,0,1]=4 39034 B12R0.234 CCC/C=C/COCCCC(C)C 34a_100016278788_100011214892 [0,3,0,0,0,0|0,0,0]=3 39035 B12R0.234 CCC/C=C/COCCCC(C)C 7a_100016278788_100011214892 [0,3,0,0,0,0|0,0,0]=3 39036 B12R0.234 CCC/C=C/COCCCC(C)O 34a_100016278788_200000718107 [0,3,0,0,0,0|0,0,0]=3 39037 B12R0.234 CCC/C=C/COCCCC(C)O 7a_100016278788_200000718107 [0,3,0,0,0,0|0,0,0]=3 39038 B12R0.234 CCC/C=C/COCCCN(C)C 7a_100016278788_100000757444 [0,3,0,0,0,0|0,0,1]=4 39039 B12R0.234 CCC/C=C/COCCOC(C)C 34a_100016278788_100000211751 [0,3,0,0,0,0|0,0,1]=4 39040 B12R0.234 CCC/C=C/COCCOC(C)C 7a_100016278788_100000211751 [0,3,0,0,0,0|0,0,1]=4 39041 B12R0.234 CCC/C=C/COCCSC(C)C 34a_100016278788_100000730970 [0,3,0,0,0,0|0,0,1]=4 39042 B12R0.234 CCC/C=C/COCCSC(C)C 7a_100016278788_100000730970 [0,3,0,0,0,0|0,0,1]=4 39043 B12R0.234 CCCC#CCCOCCC(=O)C 7a_100000042726_100000053229 [0,3,0,0,0,0|0,0,1]=4 39044 B12R0.234 CCCC#CCCOCCC(C)C 34a_100000042726_100000210312 [0,3,0,0,0,0|0,0,0]=3 39045 B12R0.234 CCCC#CCCOCCC(C)C 7a_100000042726_100000210626 [0,3,0,0,0,0|0,0,0]=3 39046 B12R0.234 CCCC#CCCOCCC(C)O 34a_100000042726_100012276601 [0,3,0,0,0,0|0,0,0]=3 39047 B12R0.234 CCCC#CCCOCCC(C)O 7a_100000042726_100012276601 [0,3,0,0,0,0|0,0,0]=3 39048 B12R0.234 CCCC#CCCOCCN(C)C 7a_100000042726_100000755713 [0,3,0,0,0,0|1,0,0]=4 39049 B12R0.234 CCCC#CCCOCOC(C)C 34a_100000042726_100000709892 [0,3,0,0,0,0|1,0,0]=4 39050 B12R0.234 CCCC#CCOCCCC(=O)C 34a_100000034806_100000685027 [0,3,0,0,0,0|0,0,1]=4 39051 B12R0.234 CCCC#CCOCCCC(=O)C 7a_100000034806_100011215641 [0,3,0,0,0,0|0,0,1]=4 39052 B12R0.234 CCCC#CCOCCCC(C)C 34a_100000034806_100011214892 [0,3,0,0,0,0|0,0,0]=3 39053 B12R0.234 CCCC#CCOCCCC(C)C 7a_100000034806_100011214892 [0,3,0,0,0,0|0,0,0]=3 39054 B12R0.234 CCCC#CCOCCCC(C)O 34a_100000034806_200000718107 [0,3,0,0,0,0|0,0,0]=3 39055 B12R0.234 CCCC#CCOCCCC(C)O 7a_100000034806_200000718107 [0,3,0,0,0,0|0,0,0]=3 39056 B12R0.234 CCCC#CCOCCCN(C)C 7a_100000034806_100000757444 [0,3,0,0,0,0|0,0,1]=4 39057 B12R0.234 CCCC#CCOCCOC(C)C 34a_100000034806_100000211751 [0,3,0,0,0,0|0,0,1]=4 39058 B12R0.234 CCCC#CCOCCOC(C)C 7a_100000034806_100000211751 [0,3,0,0,0,0|0,0,1]=4 39059 B12R0.234 CCCC#CCOCCSC(C)C 34a_100000034806_100000730970 [0,3,0,0,0,0|0,0,1]=4 39060 B12R0.234 CCCC#CCOCCSC(C)C 7a_100000034806_100000730970 [0,3,0,0,0,0|0,0,1]=4 39061 B12R0.234 CCCC/C=C/COCCC(=O)C 7a_200016272032_100000053229 [0,3,0,0,0,0|0,0,1]=4 39062 B12R0.234 CCCC/C=C/COCCC(C)C 34a_200016272032_100000210312 [0,3,0,0,0,0|0,0,0]=3 39063 B12R0.234 CCCC/C=C/COCCC(C)C 7a_200016272032_100000210626 [0,3,0,0,0,0|0,0,0]=3 39064 B12R0.234 CCCC/C=C/COCCC(C)O 34a_200016272032_100012276601 [0,3,0,0,0,0|0,0,0]=3 39065 B12R0.234 CCCC/C=C/COCCC(C)O 7a_200016272032_100012276601 [0,3,0,0,0,0|0,0,0]=3 39066 B12R0.234 CCCC/C=C/COCCN(C)C 7a_200016272032_100000755713 [0,3,0,0,0,0|1,0,0]=4 39067 B12R0.234 CCCC/C=C/COCOC(C)C 34a_200016272032_100000709892 [0,3,0,0,0,0|1,0,0]=4 39068 B12R0.234 CCCC/C=C\CCOCC(C)C 34a_200016286491_100000210624 [0,3,0,0,0,0|1,0,0]=4 39069 B12R0.234 CCCC/C=C\CCOCC(C)C 7a_200016286491_100000210760 [0,3,0,0,0,0|1,0,0]=4 39070 B12R0.234 CCCC/C=C\CCOCC(C)O 34a_200016286491_100011218427 [0,3,0,0,0,0|1,0,0]=4 39071 B12R0.234 CCCC/C=C\CCOCC(C)O 7a_200016286491_100011218427 [0,3,0,0,0,0|1,0,0]=4 39072 B12R0.234 CCCC/C=C\CCOC[C@@H](C)O 34a_200016286491_100009817552 [0,3,0,0,0,0|1,0,0]=4 39073 B12R0.234 CCCC/C=C\CCOC[C@@H](C)O 7a_200016286491_100009817552 [0,3,0,0,0,0|1,0,0]=4 39074 B12R0.234 CCCCC#CCCCNC(C)C 2230a_100138425928_200000047210 [0,3,0,0,0,0|1,0,0]=4 39075 B12R0.234 CCCCC#CCCCNC(C)C 34a_100138425928_200000047210 [0,3,0,0,0,0|1,0,0]=4 39076 B12R0.234 CCCCC#CCCCOC(C)C 34a_100000212225_200000047210 [0,3,0,0,0,0|1,0,0]=4 39077 B12R0.234 CCCCC#CCCCSC(C)C 62a_100000210206_200000047210 [0,3,0,0,0,0|1,0,0]=4 39078 B12R0.234 CCCCC#CCCCSC(C)C 62a_200000047210_100000210206 [0,3,0,0,0,0|1,0,0]=4 39079 B12R0.234 CCCCC#CCCOCC(C)C 34a_100000037610_100000210624 [0,3,0,0,0,0|1,0,0]=4 39080 B12R0.234 CCCCC#CCCOCC(C)C 7a_100000037610_100000210760 [0,3,0,0,0,0|1,0,0]=4 39081 B12R0.234 CCCCC#CCCOCC(C)O 34a_100000037610_100011218427 [0,3,0,0,0,0|1,0,0]=4 39082 B12R0.234 CCCCC#CCCOCC(C)O 7a_100000037610_100011218427 [0,3,0,0,0,0|1,0,0]=4 39083 B12R0.234 CCCCC#CCCOC[C@@H](C)O 34a_100000037610_100009817552 [0,3,0,0,0,0|1,0,0]=4 39084 B12R0.234 CCCCC#CCCOC[C@@H](C)O 7a_100000037610_100009817552 [0,3,0,0,0,0|1,0,0]=4 39085 B12R0.234 CCCCC#CCOCCC(=O)C 7a_200000034558_100000053229 [0,3,0,0,0,0|0,0,1]=4 39086 B12R0.234 CCCCC#CCOCCC(C)C 34a_200000034558_100000210312 [0,3,0,0,0,0|0,0,0]=3 39087 B12R0.234 CCCCC#CCOCCC(C)C 7a_200000034558_100000210626 [0,3,0,0,0,0|0,0,0]=3 39088 B12R0.234 CCCCC#CCOCCC(C)O 34a_200000034558_100012276601 [0,3,0,0,0,0|0,0,0]=3 39089 B12R0.234 CCCCC#CCOCCC(C)O 7a_200000034558_100012276601 [0,3,0,0,0,0|0,0,0]=3 39090 B12R0.234 CCCCC#CCOCCN(C)C 7a_200000034558_100000755713 [0,3,0,0,0,0|1,0,0]=4 39091 B12R0.234 CCCCC#CCOCOC(C)C 34a_200000034558_100000709892 [0,3,0,0,0,0|1,0,0]=4 39092 B12R0.234 CCCCC/C=C/COCC(C)C 34a_100016258190_100000210624 [0,3,0,0,0,0|1,0,0]=4 39093 B12R0.234 CCCCC/C=C/COCC(C)C 7a_100016258190_100000210760 [0,3,0,0,0,0|1,0,0]=4 39094 B12R0.234 CCCCC/C=C/COCC(C)O 34a_100016258190_100011218427 [0,3,0,0,0,0|1,0,0]=4 39095 B12R0.234 CCCCC/C=C/COCC(C)O 7a_100016258190_100011218427 [0,3,0,0,0,0|1,0,0]=4 39096 B12R0.234 CCCCC/C=C/COC[C@@H](C)O 34a_100016258190_100009817552 [0,3,0,0,0,0|1,0,0]=4 39097 B12R0.234 CCCCC/C=C/COC[C@@H](C)O 7a_100016258190_100009817552 [0,3,0,0,0,0|1,0,0]=4 39098 B12R0.234 CCCCC/C=C\CCOC(C)C 34a_100016277358_100000210206 [0,3,0,0,0,0|1,0,0]=4 39099 B12R0.234 CCCCC/C=C\CCOC(C)C 7a_100016277358_100000210206 [0,3,0,0,0,0|1,0,0]=4 39100 B12R0.234 CCCCCC#CCCOC(C)C 34a_200000042877_100000210206 [0,3,0,0,0,0|1,0,0]=4 39101 B12R0.234 CCCCCC#CCCOC(C)C 7a_200000042877_100000210206 [0,3,0,0,0,0|1,0,0]=4 39102 B12R0.234 CCCCCC#CCNCC(C)C 2230a_100000210953_100009816472 [0,3,0,0,0,0|1,0,0]=4 39103 B12R0.234 CCCCCC#CCNCC(C)C 34a_100000210953_100009816472 [0,3,0,0,0,0|1,0,0]=4 39104 B12R0.234 CCCCCC#CCNCC(C)O 2230a_100000210904_100009816472 [0,3,0,0,0,0|1,0,0]=4 39105 B12R0.234 CCCCCC#CCNCC(C)O 34a_100000210904_100009816472 [0,3,0,0,0,0|1,0,0]=4 39106 B12R0.234 CCCCCC#CCOCC(C)Br 34a_100012180447_100009816472 [0,3,0,0,0,0|1,0,0]=4 39107 B12R0.234 CCCCCC#CCOCC(C)C 34a_100000210257_100009816472 [0,3,0,0,0,0|1,0,0]=4 39108 B12R0.234 CCCCCC#CCOCC(C)C 34a_200000033628_100000210624 [0,3,0,0,0,0|1,0,0]=4 39109 B12R0.234 CCCCCC#CCOCC(C)C 7a_200000033628_100000210760 [0,3,0,0,0,0|1,0,0]=4 39110 B12R0.234 CCCCCC#CCOCC(C)F 34a_100015925927_100009816472 [0,3,0,0,0,0|1,0,0]=4 39111 B12R0.234 CCCCCC#CCOCC(C)O 34a_200000033628_100011218427 [0,3,0,0,0,0|1,0,0]=4 39112 B12R0.234 CCCCCC#CCOCC(C)O 7a_200000033628_100011218427 [0,3,0,0,0,0|1,0,0]=4 39113 B12R0.234 CCCCCC#CCOC[C@@H](C)Cl 34a_100016084084_100009816472 [0,3,0,0,0,0|1,0,0]=4 39114 B12R0.234 CCCCCC#CCOC[C@@H](C)N 34a_100000737577_100009816472 [0,3,0,0,0,0|1,0,0]=4 39115 B12R0.234 CCCCCC#CCOC[C@@H](C)O 34a_200000033628_100009817552 [0,3,0,0,0,0|1,0,0]=4 39116 B12R0.234 CCCCCC#CCOC[C@@H](C)O 7a_200000033628_100009817552 [0,3,0,0,0,0|1,0,0]=4 39117 B12R0.234 CCCCCC#CCSCC(C)C 62a_100000210624_100009816472 [0,3,0,0,0,0|1,0,0]=4 39118 B12R0.234 CCCCCC#CCSCC(C)C 62a_100009816472_100000210760 [0,3,0,0,0,0|1,0,0]=4 39119 B12R0.234 CCCCCC#CCSCC(C)O 62a_100009816472_100011218427 [0,3,0,0,0,0|1,0,0]=4 39120 B12R0.234 CCCCCC#CCSCC(C)O 62a_100011218427_100009816472 [0,3,0,0,0,0|1,0,0]=4 39121 B12R0.234 CCCCCC#CCSC[C@@H](C)O 62a_100009816472_100009817552 [0,3,0,0,0,0|1,0,0]=4 39122 B12R0.234 CCCCCC#CCSC[C@@H](C)O 62a_100009817552_100009816472 [0,3,0,0,0,0|1,0,0]=4 39123 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,3,0,0,0,0|1,0,0]=4 39124 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,3,0,0,0,0|1,0,0]=4 39125 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,3,0,0,0,0|1,0,0]=4 39126 B12R0.234 CCCCCCCCCCN(C)C 2230a_100000207566_200000210301 [0,3,0,0,0,0|1,0,0]=4 39127 B12R0.234 CCCCCCCCCCN(C)C 2230a_100102631434_100000210320 [0,3,0,0,0,0|1,0,0]=4 39128 B12R0.234 CCCCCCCCCCN(C)C 269982a_100000207566_200000210301 [0,3,0,0,0,0|1,0,0]=4 39129 B12R0.234 CCCCCCCCCCN(C)C 269982a_100102631434_100000210320 [0,3,0,0,0,0|1,0,0]=4 39130 B12R0.234 CCCCCCCCCCN(C)[13CH3] 2230a_100000207566_200025704644 [0,3,0,0,0,0|1,0,0]=4 39131 B12R0.234 CCCCCCCCCCN(C)[13CH3] 269982a_100000207566_200025704644 [0,3,0,0,0,0|1,0,0]=4 39132 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,3,0,0,0,0|1,0,0]=4 39133 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,3,0,0,0,0|1,0,0]=4 39134 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,3,0,0,0,0|1,0,0]=4 39135 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,3,0,0,0,0|1,0,0]=4 39136 B12R0.234 CCCCCCCCCNC(C)C 2230a_100000212291_100000210206 [0,3,0,0,0,0|1,0,0]=4 39137 B12R0.234 CCCCCCCCCNC(C)C 2230a_100138425928_100011214924 [0,3,0,0,0,0|1,0,0]=4 39138 B12R0.234 CCCCCCCCCNC(C)C 34a_100000212291_100000210206 [0,3,0,0,0,0|1,0,0]=4 39139 B12R0.234 CCCCCCCCCNC(C)C 34a_100138425928_100011214924 [0,3,0,0,0,0|1,0,0]=4 39140 B12R0.234 CCCCCCCCCOC(C)C 34a_100000210712_100000210206 [0,3,0,0,0,0|1,0,0]=4 39141 B12R0.234 CCCCCCCCCOC(C)C 34a_100000212225_100011214924 [0,3,0,0,0,0|1,0,0]=4 39142 B12R0.234 CCCCCCCCCOC(C)C 7a_100000210712_100000210206 [0,3,0,0,0,0|1,0,0]=4 39143 B12R0.234 CCCCCCCCCSC(C)C 62a_100000210206_100000210670 [0,3,0,0,0,0|1,0,0]=4 39144 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000210953_100000210759 [0,3,0,0,0,0|1,0,0]=4 39145 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000229939_100000210760 [0,3,0,0,0,0|1,0,0]=4 39146 B12R0.234 CCCCCCCCNCC(C)C 270004a_100000229939_100000210432 [0,3,0,0,0,0|1,0,0]=4 39147 B12R0.234 CCCCCCCCNCC(C)C 34a_100000210953_100000210759 [0,3,0,0,0,0|1,0,0]=4 39148 B12R0.234 CCCCCCCCNCC(C)C 34a_100000229939_100000210624 [0,3,0,0,0,0|1,0,0]=4 39149 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000210904_100000210759 [0,3,0,0,0,0|1,0,0]=4 39150 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000229939_100011218427 [0,3,0,0,0,0|1,0,0]=4 39151 B12R0.234 CCCCCCCCNCC(C)O 34a_100000210904_100000210759 [0,3,0,0,0,0|1,0,0]=4 39152 B12R0.234 CCCCCCCCNCC(C)O 34a_100000229939_100011218427 [0,3,0,0,0,0|1,0,0]=4 39153 B12R0.234 CCCCCCCCNCC(F)F 2230a_100000229939_100011934356 [0,3,0,0,0,0|1,0,0]=4 39154 B12R0.234 CCCCCCCCNCC(F)F 34a_100000229939_100011934356 [0,3,0,0,0,0|1,0,0]=4 39155 B12R0.234 CCCCCCCCNCC(F)F 34a_100000765723_100000210759 [0,3,0,0,0,0|1,0,0]=4 39156 B12R0.234 CCCCCCCCNC[C@@H](C)O 2230a_100000229939_100009817552 [0,3,0,0,0,0|1,0,0]=4 39157 B12R0.234 CCCCCCCCNC[C@@H](C)O 34a_100000229939_100009817552 [0,3,0,0,0,0|1,0,0]=4 39158 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,3,0,0,0,0|1,0,0]=4 39159 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,3,0,0,0,0|1,0,0]=4 39160 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,3,0,0,0,0|1,0,0]=4 39161 B12R0.234 CCCCCCCCOCC(C)Br 34a_100012180447_100000210759 [0,3,0,0,0,0|1,0,0]=4 39162 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210232_100000210624 [0,3,0,0,0,0|1,0,0]=4 39163 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210257_100000210759 [0,3,0,0,0,0|1,0,0]=4 39164 B12R0.234 CCCCCCCCOCC(C)C 7a_100000210232_100000210760 [0,3,0,0,0,0|1,0,0]=4 39165 B12R0.234 CCCCCCCCOCC(C)F 34a_100015925927_100000210759 [0,3,0,0,0,0|1,0,0]=4 39166 B12R0.234 CCCCCCCCOCC(C)O 34a_100000210232_100011218427 [0,3,0,0,0,0|1,0,0]=4 39167 B12R0.234 CCCCCCCCOCC(C)O 7a_100000210232_100011218427 [0,3,0,0,0,0|1,0,0]=4 39168 B12R0.234 CCCCCCCCOCC(F)F 34a_100000210232_100011934356 [0,3,0,0,0,0|1,0,0]=4 39169 B12R0.234 CCCCCCCCOCC(F)F 34a_100000743014_100000210759 [0,3,0,0,0,0|1,0,0]=4 39170 B12R0.234 CCCCCCCCOCC(F)F 7a_100000210232_100011934356 [0,3,0,0,0,0|1,0,0]=4 39171 B12R0.234 CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210759 [0,3,0,0,0,0|1,0,0]=4 39172 B12R0.234 CCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210759 [0,3,0,0,0,0|1,0,0]=4 39173 B12R0.234 CCCCCCCCOC[C@@H](C)O 34a_100000210232_100009817552 [0,3,0,0,0,0|1,0,0]=4 39174 B12R0.234 CCCCCCCCOC[C@@H](C)O 7a_100000210232_100009817552 [0,3,0,0,0,0|1,0,0]=4 39175 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210624_100000210317 [0,3,0,0,0,0|1,0,0]=4 39176 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210759_100000210760 [0,3,0,0,0,0|1,0,0]=4 39177 B12R0.234 CCCCCCCCSCC(C)O 62a_100000210759_100011218427 [0,3,0,0,0,0|1,0,0]=4 39178 B12R0.234 CCCCCCCCSCC(C)O 62a_100011218427_100000210317 [0,3,0,0,0,0|1,0,0]=4 39179 B12R0.234 CCCCCCCCSCC(F)F 62a_100000210759_100011934356 [0,3,0,0,0,0|1,0,0]=4 39180 B12R0.234 CCCCCCCCSCC(F)F 62a_100011934356_100000210317 [0,3,0,0,0,0|1,0,0]=4 39181 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100000210759_100009817552 [0,3,0,0,0,0|1,0,0]=4 39182 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210317 [0,3,0,0,0,0|1,0,0]=4 39183 B12R0.234 CCCCCCCNCCC(C)C 2230a_100000229938_100000210312 [0,3,0,0,0,0|1,0,0]=4 39184 B12R0.234 CCCCCCCNCCC(C)C 269862a_100000229938_100000185833 [0,3,0,0,0,0|1,0,0]=4 39185 B12R0.234 CCCCCCCNCCC(C)O 2230a_100000229938_100012276601 [0,3,0,0,0,0|1,0,0]=4 39186 B12R0.234 CCCCCCCNCCC(C)O 2230a_200000755665_100000210681 [0,3,0,0,0,0|1,0,0]=4 39187 B12R0.234 CCCCCCCNCOC(C)C 2230a_100000229938_100000709892 [0,3,0,0,0,0|1,0,0]=4 39188 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,3,0,0,0,0|0,0,1]=4 39189 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,3,0,0,0,0|0,0,1]=4 39190 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,3,0,0,0,0|0,0,1]=4 39191 B12R0.234 CCCCCCCOCCC(C)Br 34a_100009893172_100000210614 [0,3,0,0,0,0|0,0,0]=3 39192 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210254_100000210614 [0,3,0,0,0,0|0,0,0]=3 39193 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210272_100000210312 [0,3,0,0,0,0|0,0,0]=3 39194 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210254_100000210614 [0,3,0,0,0,0|0,0,0]=3 39195 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210272_100000210626 [0,3,0,0,0,0|0,0,0]=3 39196 B12R0.234 CCCCCCCOCCC(C)O 34a_100000210272_100012276601 [0,3,0,0,0,0|0,0,0]=3 39197 B12R0.234 CCCCCCCOCCC(C)O 7a_100000210272_100012276601 [0,3,0,0,0,0|0,0,0]=3 39198 B12R0.234 CCCCCCCOCCC(F)F 34a_100103093639_100000210614 [0,3,0,0,0,0|1,0,0]=4 39199 B12R0.234 CCCCCCCOCCN(C)C 7a_100000210272_100000755713 [0,3,0,0,0,0|1,0,0]=4 39200 B12R0.234 CCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210614 [0,3,0,0,0,0|0,0,0]=3 39201 B12R0.234 CCCCCCCOCOC(C)C 34a_100000210272_100000709892 [0,3,0,0,0,0|1,0,0]=4 39202 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,3,0,0,0,0|1,0,0]=4 39203 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,3,0,0,0,0|1,0,0]=4 39204 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210312_100000210316 [0,3,0,0,0,0|0,1,0]=4 39205 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210614_100000210312 [0,3,0,0,0,0|0,1,0]=4 39206 B12R0.234 CCCCCCCSCCC(C)O 62a_100000210614_100012276601 [0,3,0,0,0,0|0,1,0]=4 39207 B12R0.234 CCCCCCCSCCC(C)O 62a_100012276601_100000210316 [0,3,0,0,0,0|0,1,0]=4 39208 B12R0.234 CCCCCCCSCCN(C)C 62a_100000210614_100000755713 [0,3,0,0,0,0|1,0,0]=4 39209 B12R0.234 CCCCCCCSCOC(C)C 62a_100000210614_100000709892 [0,3,0,0,0,0|1,0,0]=4 39210 B12R0.234 CCCCCCCSCOC(C)C 62a_100000709892_100000210316 [0,3,0,0,0,0|1,0,0]=4 39211 B12R0.234 CCCCCCNCCCC(C)C 2230a_100000210581_100011214892 [0,3,0,0,0,0|1,0,0]=4 39212 B12R0.234 CCCCCCNCCCC(C)C 2230a_200000737386_100000210314 [0,3,0,0,0,0|1,0,0]=4 39213 B12R0.234 CCCCCCNCCCC(C)C 34a_200000737386_100000210314 [0,3,0,0,0,0|1,0,0]=4 39214 B12R0.234 CCCCCCNCCCC(C)O 2230a_100000210581_200000718107 [0,3,0,0,0,0|1,0,0]=4 39215 B12R0.234 CCCCCCNCCCS(=O)C 2230a_200000753449_100000210314 [0,3,0,0,0,0|1,0,0]=4 39216 B12R0.234 CCCCCCNCCOC(C)C 2230a_100000210581_100000211751 [0,3,0,0,0,0|1,0,0]=4 39217 B12R0.234 CCCCCCNCCOC(C)C 2230a_100000701111_100000210314 [0,3,0,0,0,0|1,0,0]=4 39218 B12R0.234 CCCCCCNCCOC(C)C 34a_100000701111_100000210314 [0,3,0,0,0,0|1,0,0]=4 39219 B12R0.234 CCCCCCNCCSC(C)C 2230a_100000210581_100000730970 [0,3,0,0,0,0|1,0,0]=4 39220 B12R0.234 CCCCCCNCCSC(C)C 2230a_100000731138_100000210314 [0,3,0,0,0,0|1,0,0]=4 39221 B12R0.234 CCCCCCNCCSC(C)C 34a_100000731138_100000210314 [0,3,0,0,0,0|1,0,0]=4 39222 B12R0.234 CCCCCCOCCC=C(C)C 34a_100000210259_100011217483 [0,3,0,0,0,0|0,0,1]=4 39223 B12R0.234 CCCCCCOCCC=C(C)C 7a_100000210259_100011217483 [0,3,0,0,0,0|0,0,1]=4 39224 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,3,0,0,0,0|0,0,0]=3 39225 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,3,0,0,0,0|0,0,0]=3 39226 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,3,0,0,0,0|0,0,0]=3 39227 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,3,0,0,0,0|0,0,0]=3 39228 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [0,3,0,0,0,0|0,0,1]=4 39229 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [0,3,0,0,0,0|0,0,1]=4 39230 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210259_100011214892 [0,3,0,0,0,0|0,0,0]=3 39231 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210774_100000210314 [0,3,0,0,0,0|0,0,0]=3 39232 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210259_100011214892 [0,3,0,0,0,0|0,0,0]=3 39233 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210774_100000210314 [0,3,0,0,0,0|0,0,0]=3 39234 B12R0.234 CCCCCCOCCCC(C)O 34a_100000210259_200000718107 [0,3,0,0,0,0|0,0,0]=3 39235 B12R0.234 CCCCCCOCCCC(C)O 7a_100000210259_200000718107 [0,3,0,0,0,0|0,0,0]=3 39236 B12R0.234 CCCCCCOCCCN(C)C 7a_100000210259_100000757444 [0,3,0,0,0,0|0,0,0]=3 39237 B12R0.234 CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210314 [0,3,0,0,0,0|1,0,0]=4 39238 B12R0.234 CCCCCCOCCNC(=O)C 34a_100000158858_100000210314 [0,3,0,0,0,0|0,0,1]=4 39239 B12R0.234 CCCCCCOCCNC(=O)C 7a_100000210259_100000189650 [0,3,0,0,0,0|0,0,1]=4 39240 B12R0.234 CCCCCCOCCNC(C)C 34a_100000224655_100000210314 [0,3,0,0,0,0|0,0,0]=3 39241 B12R0.234 CCCCCCOCCOC(=O)C 34a_100000210259_100009814007 [0,3,0,0,0,0|0,0,1]=4 39242 B12R0.234 CCCCCCOCCOC(=O)C 7a_100000210259_100009814007 [0,3,0,0,0,0|0,0,1]=4 39243 B12R0.234 CCCCCCOCCOC(C)C 34a_100000210259_100000211751 [0,3,0,0,0,0|0,0,0]=3 39244 B12R0.234 CCCCCCOCCOC(C)C 34a_100000211219_100000210314 [0,3,0,0,0,0|0,0,0]=3 39245 B12R0.234 CCCCCCOCCOC(C)C 34a_100000691444_100000210206 [0,3,0,0,0,0|0,0,0]=3 39246 B12R0.234 CCCCCCOCCOC(C)C 7a_100000210259_100000211751 [0,3,0,0,0,0|0,0,0]=3 39247 B12R0.234 CCCCCCOCCOC(C)C 7a_100000211219_100000210314 [0,3,0,0,0,0|0,0,0]=3 39248 B12R0.234 CCCCCCOCCOC(C)C 7a_100000691444_100000210206 [0,3,0,0,0,0|0,0,0]=3 39249 B12R0.234 CCCCCCOCCSC(C)C 34a_100000210259_100000730970 [0,3,0,0,0,0|0,0,0]=3 39250 B12R0.234 CCCCCCOCCSC(C)C 34a_200011212901_100000210314 [0,3,0,0,0,0|0,0,0]=3 39251 B12R0.234 CCCCCCOCCSC(C)C 7a_100000210259_100000730970 [0,3,0,0,0,0|0,0,0]=3 39252 B12R0.234 CCCCCCOCCSC(C)C 7a_200011212901_100000210314 [0,3,0,0,0,0|0,0,0]=3 39253 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,3,0,0,0,0|0,1,0]=4 39254 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,3,0,0,0,0|0,1,0]=4 39255 B12R0.234 CCCCCCSCCCC(C)C 62a_100000210314_100011214892 [0,3,0,0,0,0|0,1,0]=4 39256 B12R0.234 CCCCCCSCCCC(C)C 62a_100011214892_100000210757 [0,3,0,0,0,0|0,1,0]=4 39257 B12R0.234 CCCCCCSCCCC(C)O 62a_100000210314_200000718107 [0,3,0,0,0,0|0,1,0]=4 39258 B12R0.234 CCCCCCSCCCC(C)O 62a_200000718107_100000210757 [0,3,0,0,0,0|0,1,0]=4 39259 B12R0.234 CCCCCCSCCCN(C)C 62a_100000210314_100000757444 [0,3,0,0,0,0|0,1,0]=4 39260 B12R0.234 CCCCCCSCCOC(C)C 62a_100000210314_100000211751 [0,3,0,0,0,0|0,1,0]=4 39261 B12R0.234 CCCCCCSCCOC(C)C 62a_100000211751_100000210757 [0,3,0,0,0,0|0,1,0]=4 39262 B12R0.234 CCCCCCSCCSC(C)C 62a_100000210314_100000730970 [0,3,0,0,0,0|0,1,0]=4 39263 B12R0.234 CCCCCCSCCSC(C)C 62a_100000730970_100000210757 [0,3,0,0,0,0|0,1,0]=4 39264 B12R0.234 CCCCCNCCCCB(O)O 2230a_100000209983_200009817182 [0,3,0,0,0,0|1,0,0]=4 39265 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [0,3,0,0,0,0|1,0,0]=4 39266 B12R0.234 CCCCCNCCCCC(C)C 2230a_100000209983_100011216152 [0,3,0,0,0,0|1,0,0]=4 39267 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [0,3,0,0,0,0|1,0,0]=4 39268 B12R0.234 CCCCCNCCCOC(=S)C 2230a_100000209983_200135323944 [0,3,0,0,0,0|1,0,0]=4 39269 B12R0.234 CCCCCNCCCOC(C)C 2230a_100000737246_100000210326 [0,3,0,0,0,0|1,0,0]=4 39270 B12R0.234 CCCCCNCCCOC(C)C 34a_100000737246_100000718602 [0,3,0,0,0,0|1,0,0]=4 39271 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [0,3,0,0,0,0|1,0,0]=4 39272 B12R0.234 CCCCCNCCOCC(C)C 34a_100000224656_100000210624 [0,3,0,0,0,0|1,0,0]=4 39273 B12R0.234 CCCCCNCCOCC(C)O 34a_100000224656_100011218427 [0,3,0,0,0,0|1,0,0]=4 39274 B12R0.234 CCCCCNCCOCC(F)F 2230a_100000209983_200012177212 [0,3,0,0,0,0|1,0,0]=4 39275 B12R0.234 CCCCCNCCOCC(F)F 34a_100000224656_100011934356 [0,3,0,0,0,0|1,0,0]=4 39276 B12R0.234 CCCCCNCCOC[C@@H](C)O 34a_100000224656_100009817552 [0,3,0,0,0,0|1,0,0]=4 39277 B12R0.234 CCCCCOCCCCB(O)O 34a_100000210253_200009817182 [0,3,0,0,0,0|0,0,0]=3 39278 B12R0.234 CCCCCOCCCCB(O)O 7a_100000210253_200009817182 [0,3,0,0,0,0|0,0,0]=3 39279 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,3,0,0,0,0|0,0,0]=3 39280 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,3,0,0,0,0|0,0,0]=3 39281 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [0,3,0,0,0,0|0,0,0]=3 39282 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [0,3,0,0,0,0|0,0,0]=3 39283 B12R0.234 CCCCCOCCCCC(C)C 34a_100000210253_100011216152 [0,3,0,0,0,0|0,0,0]=3 39284 B12R0.234 CCCCCOCCCCC(C)C 34a_100011214890_100000718602 [0,3,0,0,0,0|0,0,0]=3 39285 B12R0.234 CCCCCOCCCCC(C)C 7a_100000210253_100011216152 [0,3,0,0,0,0|0,0,0]=3 39286 B12R0.234 CCCCCOCCCCC(C)C 7a_100011214890_100000210326 [0,3,0,0,0,0|0,0,0]=3 39287 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000718602 [0,3,0,0,0,0|0,0,0]=3 39288 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210326 [0,3,0,0,0,0|0,0,0]=3 39289 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [0,3,0,0,0,0|0,0,0]=3 39290 B12R0.234 CCCCCOCCCNC(C)C 34a_100000182298_100000718602 [0,3,0,0,0,0|0,0,0]=3 39291 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [0,3,0,0,0,0|0,0,0]=3 39292 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [0,3,0,0,0,0|0,0,0]=3 39293 B12R0.234 CCCCCOCCCOC(=S)C 34a_100000210253_200135323944 [0,3,0,0,0,0|0,0,0]=3 39294 B12R0.234 CCCCCOCCCOC(=S)C 7a_100000210253_200135323944 [0,3,0,0,0,0|0,0,0]=3 39295 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [0,3,0,0,0,0|0,0,0]=3 39296 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [0,3,0,0,0,0|0,0,0]=3 39297 B12R0.234 CCCCCOCCNCC(C)C 34a_100015185251_100000718602 [0,3,0,0,0,0|0,0,0]=3 39298 B12R0.234 CCCCCOCCOCC(=O)N 34a_100000210253_100000076697 [0,3,0,0,0,0|0,0,1]=4 39299 B12R0.234 CCCCCOCCOCC(=O)N 34a_100011215259_100000187820 [0,3,0,0,0,0|0,0,1]=4 39300 B12R0.234 CCCCCOCCOCC(=O)N 7a_100000210253_100000076697 [0,3,0,0,0,0|0,0,1]=4 39301 B12R0.234 CCCCCOCCOCC(=O)N 7a_100011215259_100000187820 [0,3,0,0,0,0|0,0,1]=4 39302 B12R0.234 CCCCCOCCOCC(=O)[O-] 34a_100011215259_100020667443 [0,3,0,0,0,0|0,0,1]=4 39303 B12R0.234 CCCCCOCCOCC(C)C 34a_100000703358_100000718602 [0,3,0,0,0,0|0,0,0]=3 39304 B12R0.234 CCCCCOCCOCC(C)C 34a_100011215259_100000210624 [0,3,0,0,0,0|0,0,0]=3 39305 B12R0.234 CCCCCOCCOCC(C)C 7a_100000703358_100000210326 [0,3,0,0,0,0|0,0,0]=3 39306 B12R0.234 CCCCCOCCOCC(C)C 7a_100011215259_100000210760 [0,3,0,0,0,0|0,0,0]=3 39307 B12R0.234 CCCCCOCCOCC(C)O 34a_100011215259_100011218427 [0,3,0,0,0,0|0,0,0]=3 39308 B12R0.234 CCCCCOCCOCC(C)O 7a_100011215259_100011218427 [0,3,0,0,0,0|0,0,0]=3 39309 B12R0.234 CCCCCOCCOCC(F)F 34a_100000210253_200012177212 [0,3,0,0,0,0|0,0,0]=3 39310 B12R0.234 CCCCCOCCOCC(F)F 34a_100000704375_100000718602 [0,3,0,0,0,0|0,0,0]=3 39311 B12R0.234 CCCCCOCCOCC(F)F 34a_100011215259_100011934356 [0,3,0,0,0,0|0,0,0]=3 39312 B12R0.234 CCCCCOCCOCC(F)F 7a_100000210253_200012177212 [0,3,0,0,0,0|0,0,0]=3 39313 B12R0.234 CCCCCOCCOCC(F)F 7a_100000704375_100000210326 [0,3,0,0,0,0|0,0,0]=3 39314 B12R0.234 CCCCCOCCOCC(F)F 7a_100011215259_100011934356 [0,3,0,0,0,0|0,0,0]=3 39315 B12R0.234 CCCCCOCCOC[C@@H](C)O 34a_100011215259_100009817552 [0,3,0,0,0,0|0,0,0]=3 39316 B12R0.234 CCCCCOCCOC[C@@H](C)O 7a_100011215259_100009817552 [0,3,0,0,0,0|0,0,0]=3 39317 B12R0.234 CCCCCOCCOC[N+](=O)[O-] 34a_100011215259_100000761209 [0,3,0,0,0,0|1,0,0]=4 39318 B12R0.234 CCCCCOCCSCC(C)C 34a_200000230437_100000718602 [0,3,0,0,0,0|0,0,0]=3 39319 B12R0.234 CCCCCOCCSCC(C)C 7a_200000230437_100000210326 [0,3,0,0,0,0|0,0,0]=3 39320 B12R0.234 CCCCCSCCCCB(O)O 62a_100000210326_200009817182 [0,3,0,0,0,0|0,1,0]=4 39321 B12R0.234 CCCCCSCCCCB(O)O 62a_200009817182_100000210326 [0,3,0,0,0,0|0,1,0]=4 39322 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,3,0,0,0,0|0,1,0]=4 39323 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,3,0,0,0,0|0,1,0]=4 39324 B12R0.234 CCCCCSCCCCC(C)C 62a_100000210326_100011216152 [0,3,0,0,0,0|0,1,0]=4 39325 B12R0.234 CCCCCSCCCCC(C)C 62a_100011216152_100000210326 [0,3,0,0,0,0|0,1,0]=4 39326 B12R0.234 CCCCCSCCCCN(C)C 62a_100000210326_100000690147 [0,3,0,0,0,0|0,1,0]=4 39327 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [0,3,0,0,0,0|0,1,0]=4 39328 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [0,3,0,0,0,0|0,1,0]=4 39329 B12R0.234 CCCCCSCCCOC(=S)C 62a_100000210326_200135323944 [0,3,0,0,0,0|0,1,0]=4 39330 B12R0.234 CCCCCSCCCOC(=S)C 62a_200135323944_100000210326 [0,3,0,0,0,0|0,1,0]=4 39331 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [0,3,0,0,0,0|0,1,0]=4 39332 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [0,3,0,0,0,0|0,1,0]=4 39333 B12R0.234 CCCCCSCCOCC(F)F 62a_100000210326_200012177212 [0,3,0,0,0,0|0,1,0]=4 39334 B12R0.234 CCCCCSCCOCC(F)F 62a_200012177212_100000210326 [0,3,0,0,0,0|0,1,0]=4 39335 B12R0.234 CCCCNCCCCCB(O)O 2230a_100000102301_200009817188 [0,3,0,0,0,0|1,0,0]=4 39336 B12R0.234 CCCCNCCCCCB(O)O 7a_106832991798_200009817188 [0,3,0,0,0,0|1,0,0]=4 39337 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [0,3,0,0,0,0|1,0,0]=4 39338 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [0,3,0,0,0,0|1,0,0]=4 39339 B12R0.234 CCCCNCCCCCC(C)C 2230a_100000102301_100000210682 [0,3,0,0,0,0|1,0,0]=4 39340 B12R0.234 CCCCNCCCCCC(C)C 2230a_100011290863_100000210211 [0,3,0,0,0,0|1,0,0]=4 39341 B12R0.234 CCCCNCCCCCC(C)C 34a_100011290863_100000210210 [0,3,0,0,0,0|1,0,0]=4 39342 B12R0.234 CCCCNCCCCCC(C)C 7a_106832991798_100000210682 [0,3,0,0,0,0|1,0,0]=4 39343 B12R0.234 CCCCNCCCCNC(=O)C 2230a_200011368371_100000210211 [0,3,0,0,0,0|1,0,0]=4 39344 B12R0.234 CCCCNCCCCNC(=O)C 34a_200011368371_100000210210 [0,3,0,0,0,0|1,0,0]=4 39345 B12R0.234 CCCCNCCCCOC(=O)C 7a_106832991798_100000033659 [0,3,0,0,0,0|1,0,0]=4 39346 B12R0.234 CCCCNCCCCOC(C)C 34a_200011216965_100000210206 [0,3,0,0,0,0|1,0,0]=4 39347 B12R0.234 CCCCNCCCCSC(=O)C 2230a_100000102301_200010402107 [0,3,0,0,0,0|1,0,0]=4 39348 B12R0.234 CCCCNCCCCSC(=O)C 7a_106832991798_200010402107 [0,3,0,0,0,0|1,0,0]=4 39349 B12R0.234 CCCCNCCCOCC(C)C 2230a_100000205972_100000210211 [0,3,0,0,0,0|1,0,0]=4 39350 B12R0.234 CCCCNCCCOCC(C)C 34a_100000205972_100000210210 [0,3,0,0,0,0|1,0,0]=4 39351 B12R0.234 CCCCOCCCCCB(O)O 34a_100000210227_200009817188 [0,3,0,0,0,0|0,0,0]=3 39352 B12R0.234 CCCCOCCCCCB(O)O 7a_100000210227_200009817188 [0,3,0,0,0,0|0,0,0]=3 39353 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [0,3,0,0,0,0|0,0,0]=3 39354 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [0,3,0,0,0,0|0,0,0]=3 39355 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [0,3,0,0,0,0|0,0,0]=3 39356 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [0,3,0,0,0,0|0,0,0]=3 39357 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [0,3,0,0,0,0|0,0,0]=3 39358 B12R0.234 CCCCOCCCCCC(C)C 34a_100000210227_100000210682 [0,3,0,0,0,0|0,0,0]=3 39359 B12R0.234 CCCCOCCCCCC(C)C 34a_100011995859_100000210210 [0,3,0,0,0,0|0,0,0]=3 39360 B12R0.234 CCCCOCCCCCC(C)C 7a_100000210227_100000210682 [0,3,0,0,0,0|0,0,0]=3 39361 B12R0.234 CCCCOCCCCCC(C)C 7a_100011995859_100000210211 [0,3,0,0,0,0|0,0,0]=3 39362 B12R0.234 CCCCOCCCCNC(C)C 34a_100011521146_100000210210 [0,3,0,0,0,0|0,0,0]=3 39363 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000073216_100000210210 [0,3,0,0,0,0|0,0,0]=3 39364 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000210227_100000033659 [0,3,0,0,0,0|0,0,0]=3 39365 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000073216_100000210211 [0,3,0,0,0,0|0,0,0]=3 39366 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000210227_100000033659 [0,3,0,0,0,0|0,0,0]=3 39367 B12R0.234 CCCCOCCCCOC(C)C 34a_200000760531_100000210206 [0,3,0,0,0,0|0,0,0]=3 39368 B12R0.234 CCCCOCCCCOC(C)C 7a_200000760531_100000210206 [0,3,0,0,0,0|0,0,0]=3 39369 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 34a_100000210227_100015694321 [0,3,0,0,0,0|1,0,0]=4 39370 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 7a_100000210227_100015694321 [0,3,0,0,0,0|1,0,0]=4 39371 B12R0.234 CCCCOCCCCSC(=O)C 34a_100000210227_200010402107 [0,3,0,0,0,0|0,0,0]=3 39372 B12R0.234 CCCCOCCCCSC(=O)C 7a_100000210227_200010402107 [0,3,0,0,0,0|0,0,0]=3 39373 B12R0.234 CCCCOCCCNCC(=O)N 2230a_200000211371_100000747473 [0,3,0,0,0,0|0,0,1]=4 39374 B12R0.234 CCCCOCCCNCC(=O)N 34a_200000211371_100000187820 [0,3,0,0,0,0|0,0,1]=4 39375 B12R0.234 CCCCOCCCNCC(=O)[O-] 34a_200000211371_100020667443 [0,3,0,0,0,0|0,0,1]=4 39376 B12R0.234 CCCCOCCCNCC(C)C 2230a_200000211371_100000210760 [0,3,0,0,0,0|0,0,0]=3 39377 B12R0.234 CCCCOCCCNCC(C)C 270004a_200000211371_100000210432 [0,3,0,0,0,0|0,0,0]=3 39378 B12R0.234 CCCCOCCCNCC(C)C 34a_200000211371_100000210624 [0,3,0,0,0,0|0,0,0]=3 39379 B12R0.234 CCCCOCCCNCC(C)O 2230a_200000211371_100011218427 [0,3,0,0,0,0|0,0,0]=3 39380 B12R0.234 CCCCOCCCNCC(C)O 34a_200000211371_100011218427 [0,3,0,0,0,0|0,0,0]=3 39381 B12R0.234 CCCCOCCCNCC(F)F 2230a_200000211371_100011934356 [0,3,0,0,0,0|0,0,0]=3 39382 B12R0.234 CCCCOCCCNCC(F)F 34a_200000211371_100011934356 [0,3,0,0,0,0|0,0,0]=3 39383 B12R0.234 CCCCOCCCNC[C@@H](C)O 2230a_200000211371_100009817552 [0,3,0,0,0,0|0,0,0]=3 39384 B12R0.234 CCCCOCCCNC[C@@H](C)O 34a_200000211371_100009817552 [0,3,0,0,0,0|0,0,0]=3 39385 B12R0.234 CCCCOCCCNC[N+](=O)[O-] 34a_200000211371_100000761209 [0,3,0,0,0,0|1,0,0]=4 39386 B12R0.234 CCCCOCCCOCC(=O)N 34a_200011215613_100000187820 [0,3,0,0,0,0|0,0,1]=4 39387 B12R0.234 CCCCOCCCOCC(=O)N 7a_200011215613_100000187820 [0,3,0,0,0,0|0,0,1]=4 39388 B12R0.234 CCCCOCCCOCC(=O)[O-] 34a_200011215613_100020667443 [0,3,0,0,0,0|0,0,1]=4 39389 B12R0.234 CCCCOCCCOCC(C)C 34a_200011215613_100000210624 [0,3,0,0,0,0|0,0,0]=3 39390 B12R0.234 CCCCOCCCOCC(C)C 7a_200011215613_100000210760 [0,3,0,0,0,0|0,0,0]=3 39391 B12R0.234 CCCCOCCCOCC(C)O 34a_200011215613_100011218427 [0,3,0,0,0,0|0,0,0]=3 39392 B12R0.234 CCCCOCCCOCC(C)O 7a_200011215613_100011218427 [0,3,0,0,0,0|0,0,0]=3 39393 B12R0.234 CCCCOCCCOCC(F)F 34a_200011215613_100011934356 [0,3,0,0,0,0|0,0,0]=3 39394 B12R0.234 CCCCOCCCOCC(F)F 7a_200011215613_100011934356 [0,3,0,0,0,0|0,0,0]=3 39395 B12R0.234 CCCCOCCCOC[C@@H](C)O 34a_200011215613_100009817552 [0,3,0,0,0,0|0,0,0]=3 39396 B12R0.234 CCCCOCCCOC[C@@H](C)O 7a_200011215613_100009817552 [0,3,0,0,0,0|0,0,0]=3 39397 B12R0.234 CCCCOCCCOC[N+](=O)[O-] 34a_200011215613_100000761209 [0,3,0,0,0,0|1,0,0]=4 39398 B12R0.234 CCCCOCCNCC=C(C)C 34a_100000718196_100000743108 [0,3,0,0,0,0|0,0,1]=4 39399 B12R0.234 CCCCOCCNCCC(C)O 2230a_200000755665_100000743108 [0,3,0,0,0,0|0,0,0]=3 39400 B12R0.234 CCCCOCCOCC=C(C)C 34a_100000210238_100000761012 [0,3,0,0,0,0|0,0,1]=4 39401 B12R0.234 CCCCOCCOCC=C(C)C 34a_100000753907_100000743108 [0,3,0,0,0,0|0,0,1]=4 39402 B12R0.234 CCCCOCCOCC=C(C)C 7a_100000210238_100000761012 [0,3,0,0,0,0|0,0,1]=4 39403 B12R0.234 CCCCOCCOCCC(=O)C 34a_100000759926_100000743108 [0,3,0,0,0,0|0,0,0]=3 39404 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000210238_100000053229 [0,3,0,0,0,0|0,0,0]=3 39405 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000759926_100000743108 [0,3,0,0,0,0|0,0,0]=3 39406 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000210238_100000731001 [0,3,0,0,0,0|0,0,1]=4 39407 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000757172_100000743108 [0,3,0,0,0,0|0,0,1]=4 39408 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000210238_100000744528 [0,3,0,0,0,0|0,0,1]=4 39409 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000757172_100000743108 [0,3,0,0,0,0|0,0,1]=4 39410 B12R0.234 CCCCOCCOCCC(C)Br 34a_100009893172_100000743108 [0,3,0,0,0,0|0,0,0]=3 39411 B12R0.234 CCCCOCCOCCC(C)C 34a_100000210238_100000210312 [0,3,0,0,0,0|0,0,0]=3 39412 B12R0.234 CCCCOCCOCCC(C)C 34a_100000210254_100000743108 [0,3,0,0,0,0|0,0,0]=3 39413 B12R0.234 CCCCOCCOCCC(C)C 7a_100000210238_100000210626 [0,3,0,0,0,0|0,0,0]=3 39414 B12R0.234 CCCCOCCOCCC(C)C 7a_100000210254_100000743108 [0,3,0,0,0,0|0,0,0]=3 39415 B12R0.234 CCCCOCCOCCC(C)O 34a_100000210238_100012276601 [0,3,0,0,0,0|0,0,0]=3 39416 B12R0.234 CCCCOCCOCCC(C)O 7a_100000210238_100012276601 [0,3,0,0,0,0|0,0,0]=3 39417 B12R0.234 CCCCOCCOCCC(F)F 34a_100103093639_100000743108 [0,3,0,0,0,0|0,0,0]=3 39418 B12R0.234 CCCCOCCOCCN(C)C 7a_100000210238_100000755713 [0,3,0,0,0,0|0,0,0]=3 39419 B12R0.234 CCCCOCCOCC[C@@H](C)N 34a_100000706166_100000743108 [0,3,0,0,0,0|0,0,0]=3 39420 B12R0.234 CCCCOCCOCOC(=O)C 34a_100000210238_100009813279 [0,3,0,0,0,0|0,0,1]=4 39421 B12R0.234 CCCCOCCOCOC(C)C 34a_100000210238_100000709892 [0,3,0,0,0,0|0,0,0]=3 39422 B12R0.234 CCCCOCCSCC=C(C)C 62a_100000743108_100000761012 [0,3,0,0,0,0|0,0,1]=4 39423 B12R0.234 CCCCOCCSCC=C(C)C 62a_100000761012_100000743108 [0,3,0,0,0,0|0,0,1]=4 39424 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000053229_100000743108 [0,3,0,0,0,0|0,0,0]=3 39425 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000743108_100000053229 [0,3,0,0,0,0|0,0,0]=3 39426 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000743108_100000744528 [0,3,0,0,0,0|0,0,1]=4 39427 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000744528_100000743108 [0,3,0,0,0,0|0,0,1]=4 39428 B12R0.234 CCCCOCCSCCC(C)C 62a_100000210312_100000743108 [0,3,0,0,0,0|0,0,0]=3 39429 B12R0.234 CCCCOCCSCCC(C)C 62a_100000743108_100000210312 [0,3,0,0,0,0|0,0,0]=3 39430 B12R0.234 CCCCOCCSCCC(C)O 62a_100000743108_100012276601 [0,3,0,0,0,0|0,0,0]=3 39431 B12R0.234 CCCCOCCSCCC(C)O 62a_100012276601_100000743108 [0,3,0,0,0,0|0,0,0]=3 39432 B12R0.234 CCCCOCCSCCN(C)C 62a_100000743108_100000755713 [0,3,0,0,0,0|0,0,0]=3 39433 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000076356_100000743108 [0,3,0,0,0,0|0,0,1]=4 39434 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000743108_100000076356 [0,3,0,0,0,0|0,0,1]=4 39435 B12R0.234 CCCCOCCSCOC(C)C 62a_100000709892_100000743108 [0,3,0,0,0,0|0,0,0]=3 39436 B12R0.234 CCCCOCCSCOC(C)C 62a_100000743108_100000709892 [0,3,0,0,0,0|0,0,0]=3 39437 B12R0.234 CCCCOCNCCCC(=O)N 34a_100000739312_100011995733 [0,3,0,0,0,0|0,0,1]=4 39438 B12R0.234 CCCCOCNCCCC(C)C 2230a_200000737386_100011995733 [0,3,0,0,0,0|0,0,0]=3 39439 B12R0.234 CCCCOCNCCCC(C)C 34a_200000737386_100011995733 [0,3,0,0,0,0|0,0,0]=3 39440 B12R0.234 CCCCOCNCCCS(=O)C 2230a_200000753449_100011995733 [0,3,0,0,0,0|0,0,0]=3 39441 B12R0.234 CCCCOCNCCNC(=O)C 2230a_100000209853_100011995733 [0,3,0,0,0,0|0,0,1]=4 39442 B12R0.234 CCCCOCNCCOC(C)C 2230a_100000701111_100011995733 [0,3,0,0,0,0|0,0,0]=3 39443 B12R0.234 CCCCOCNCCOC(C)C 34a_100000701111_100011995733 [0,3,0,0,0,0|0,0,0]=3 39444 B12R0.234 CCCCOCNCCSC(C)C 2230a_100000731138_100011995733 [0,3,0,0,0,0|0,0,0]=3 39445 B12R0.234 CCCCOCNCCSC(C)C 34a_100000731138_100011995733 [0,3,0,0,0,0|0,0,0]=3 39446 B12R0.234 CCCCOCOCCCC(=O)C 34a_100000759063_100011995733 [0,3,0,0,0,0|0,0,0]=3 39447 B12R0.234 CCCCOCOCCCC(C)C 34a_100000210774_100011995733 [0,3,0,0,0,0|0,0,0]=3 39448 B12R0.234 CCCCOCOCCC[N+](=O)[O-] 34a_200000037920_100011995733 [0,3,0,0,0,0|1,0,0]=4 39449 B12R0.234 CCCCOCOCCNC(=O)C 34a_100000158858_100011995733 [0,3,0,0,0,0|0,0,1]=4 39450 B12R0.234 CCCCOCOCCNC(C)C 34a_100000224655_100011995733 [0,3,0,0,0,0|0,0,0]=3 39451 B12R0.234 CCCCOCOCCOC(=O)C 34a_100000210227_100000076355 [0,3,0,0,0,0|0,0,1]=4 39452 B12R0.234 CCCCOCOCCOC(C)C 34a_100000211219_100011995733 [0,3,0,0,0,0|0,0,0]=3 39453 B12R0.234 CCCCOCOCCSC(C)C 34a_200011212901_100011995733 [0,3,0,0,0,0|0,0,0]=3 39454 B12R0.234 CCCCOCSCCC=C(C)C 62a_100011217483_100011995733 [0,3,0,0,0,0|0,0,1]=4 39455 B12R0.234 CCCCOCSCCC=C(C)C 62a_100011995733_100011217483 [0,3,0,0,0,0|0,0,1]=4 39456 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011215641_100011995733 [0,3,0,0,0,0|0,0,0]=3 39457 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011995733_100011215641 [0,3,0,0,0,0|0,0,0]=3 39458 B12R0.234 CCCCOCSCCCC(=O)N 62a_100011995733_100102525003 [0,3,0,0,0,0|0,0,1]=4 39459 B12R0.234 CCCCOCSCCCC(=O)N 62a_100102525003_100011995733 [0,3,0,0,0,0|0,0,1]=4 39460 B12R0.234 CCCCOCSCCCC(C)C 62a_100011214892_100011995733 [0,3,0,0,0,0|0,0,0]=3 39461 B12R0.234 CCCCOCSCCCC(C)C 62a_100011995733_100011214892 [0,3,0,0,0,0|0,0,0]=3 39462 B12R0.234 CCCCOCSCCCC(C)O 62a_100011995733_200000718107 [0,3,0,0,0,0|0,0,0]=3 39463 B12R0.234 CCCCOCSCCCC(C)O 62a_200000718107_100011995733 [0,3,0,0,0,0|0,0,0]=3 39464 B12R0.234 CCCCOCSCCCN(C)C 62a_100011995733_100000757444 [0,3,0,0,0,0|0,0,0]=3 39465 B12R0.234 CCCCOCSCCNC(=O)C 62a_100000189650_100011995733 [0,3,0,0,0,0|0,0,1]=4 39466 B12R0.234 CCCCOCSCCNC(=O)C 62a_100011995733_100000189650 [0,3,0,0,0,0|0,0,1]=4 39467 B12R0.234 CCCCOCSCCOC(=O)C 62a_100009814007_100011995733 [0,3,0,0,0,0|0,0,1]=4 39468 B12R0.234 CCCCOCSCCOC(=O)C 62a_100011995733_100009814007 [0,3,0,0,0,0|0,0,1]=4 39469 B12R0.234 CCCCOCSCCOC(C)C 62a_100000211751_100011995733 [0,3,0,0,0,0|0,0,0]=3 39470 B12R0.234 CCCCOCSCCOC(C)C 62a_100011995733_100000211751 [0,3,0,0,0,0|0,0,0]=3 39471 B12R0.234 CCCCOCSCCSC(C)C 62a_100000730970_100011995733 [0,3,0,0,0,0|0,0,0]=3 39472 B12R0.234 CCCCOCSCCSC(C)C 62a_100011995733_100000730970 [0,3,0,0,0,0|0,0,0]=3 39473 B12R0.234 CCCCSCCCCCB(O)O 62a_100000210211_200009817188 [0,3,0,0,0,0|0,1,0]=4 39474 B12R0.234 CCCCSCCCCCB(O)O 62a_200009817188_100000210210 [0,3,0,0,0,0|0,1,0]=4 39475 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [0,3,0,0,0,0|0,1,0]=4 39476 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [0,3,0,0,0,0|0,1,0]=4 39477 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210211_100000210682 [0,3,0,0,0,0|0,1,0]=4 39478 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210682_100000210210 [0,3,0,0,0,0|0,1,0]=4 39479 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000033659_100000210210 [0,3,0,0,0,0|0,1,0]=4 39480 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000210211_100000033659 [0,3,0,0,0,0|0,1,0]=4 39481 B12R0.234 CCCCSCCCCSC(=O)C 62a_100000210211_200010402107 [0,3,0,0,0,0|0,1,0]=4 39482 B12R0.234 CCCCSCCCCSC(=O)C 62a_200010402107_100000210210 [0,3,0,0,0,0|0,1,0]=4 39483 B12R0.234 CCCCSCCNCCC(C)C 2230a_100025743550_100000210312 [0,3,0,0,0,0|0,1,0]=4 39484 B12R0.234 CCCCSCCNCCC(C)C 269862a_100025743550_100000185833 [0,3,0,0,0,0|0,1,0]=4 39485 B12R0.234 CCCCSCCNCCC(C)O 2230a_100025743550_100012276601 [0,3,0,0,0,0|0,1,0]=4 39486 B12R0.234 CCCCSCCNCOC(C)C 2230a_100025743550_100000709892 [0,3,0,0,0,0|0,1,0]=4 39487 B12R0.234 CCCCSCCOCCC(=O)C 7a_200000230436_100000053229 [0,3,0,0,0,0|0,0,1]=4 39488 B12R0.234 CCCCSCCOCCC(C)C 34a_200000230436_100000210312 [0,3,0,0,0,0|0,0,0]=3 39489 B12R0.234 CCCCSCCOCCC(C)C 7a_200000230436_100000210626 [0,3,0,0,0,0|0,0,0]=3 39490 B12R0.234 CCCCSCCOCCC(C)O 34a_200000230436_100012276601 [0,3,0,0,0,0|0,0,0]=3 39491 B12R0.234 CCCCSCCOCCC(C)O 7a_200000230436_100012276601 [0,3,0,0,0,0|0,0,0]=3 39492 B12R0.234 CCCCSCCOCCN(C)C 7a_200000230436_100000755713 [0,3,0,0,0,0|0,1,0]=4 39493 B12R0.234 CCCCSCCOCOC(C)C 34a_200000230436_100000709892 [0,3,0,0,0,0|0,1,0]=4 39494 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000076355_100000210210 [0,3,0,0,0,0|0,0,1]=4 39495 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000210211_100000076355 [0,3,0,0,0,0|0,0,1]=4 39496 B12R0.234 CCCNCCCCCCC(C)C 2230a_100000211014_100000210303 [0,3,0,0,0,0|1,0,0]=4 39497 B12R0.234 CCCNCCCCCCC(C)C 34a_100000211014_100000210303 [0,3,0,0,0,0|1,0,0]=4 39498 B12R0.234 CCCOCCCCCNC(C)C 34a_100011629493_100000210303 [0,3,0,0,0,0|1,0,0]=4 39499 B12R0.234 CCCOCCCNCCC(C)C 2230a_100011217757_100000210312 [0,3,0,0,0,0|1,0,0]=4 39500 B12R0.234 CCCOCCCNCCC(C)C 269862a_100011217757_100000185833 [0,3,0,0,0,0|1,0,0]=4 39501 B12R0.234 CCCOCCCNCCC(C)C 34a_100011217757_100000210312 [0,3,0,0,0,0|1,0,0]=4 39502 B12R0.234 CCCOCCCNCCC(C)O 2230a_100011217757_100012276601 [0,3,0,0,0,0|1,0,0]=4 39503 B12R0.234 CCCOCCCNCCC(C)O 34a_100011217757_100012276601 [0,3,0,0,0,0|1,0,0]=4 39504 B12R0.234 CCCOCCNCCCC(=O)C 34a_100161115042_100000685027 [0,3,0,0,0,0|1,0,0]=4 39505 B12R0.234 CCCOCCNCCCC(C)C 2230a_100161115042_100011214892 [0,3,0,0,0,0|1,0,0]=4 39506 B12R0.234 CCCOCCNCCCC(C)C 2230a_200000737386_100011215938 [0,3,0,0,0,0|1,0,0]=4 39507 B12R0.234 CCCOCCNCCCC(C)C 34a_100161115042_100011214892 [0,3,0,0,0,0|1,0,0]=4 39508 B12R0.234 CCCOCCNCCCC(C)C 34a_200000737386_100011215938 [0,3,0,0,0,0|1,0,0]=4 39509 B12R0.234 CCCOCCNCCCC(C)O 2230a_100161115042_200000718107 [0,3,0,0,0,0|1,0,0]=4 39510 B12R0.234 CCCOCCNCCCC(C)O 34a_100161115042_200000718107 [0,3,0,0,0,0|1,0,0]=4 39511 B12R0.234 CCCOCCNCCCS(=O)C 2230a_200000753449_100011215938 [0,3,0,0,0,0|1,0,0]=4 39512 B12R0.234 CCCOCCNCCOC(C)C 2230a_100000701111_100011215938 [0,3,0,0,0,0|1,0,0]=4 39513 B12R0.234 CCCOCCNCCOC(C)C 2230a_100161115042_100000211751 [0,3,0,0,0,0|1,0,0]=4 39514 B12R0.234 CCCOCCNCCOC(C)C 34a_100000701111_100011215938 [0,3,0,0,0,0|1,0,0]=4 39515 B12R0.234 CCCOCCNCCOC(C)C 34a_100161115042_100000211751 [0,3,0,0,0,0|1,0,0]=4 39516 B12R0.234 CCCOCCNCCSC(C)C 2230a_100000731138_100011215938 [0,3,0,0,0,0|1,0,0]=4 39517 B12R0.234 CCCOCCNCCSC(C)C 2230a_100161115042_100000730970 [0,3,0,0,0,0|1,0,0]=4 39518 B12R0.234 CCCOCCNCCSC(C)C 34a_100000731138_100011215938 [0,3,0,0,0,0|1,0,0]=4 39519 B12R0.234 CCCOCCNCCSC(C)C 34a_100161115042_100000730970 [0,3,0,0,0,0|1,0,0]=4 39520 B12R0.234 CCCOCCOCCC=C(C)C 34a_100000752267_100011217483 [0,3,0,0,0,0|0,0,1]=4 39521 B12R0.234 CCCOCCOCCC=C(C)C 7a_100000752267_100011217483 [0,3,0,0,0,0|0,0,1]=4 39522 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000752267_100000685027 [0,3,0,0,0,0|0,0,0]=3 39523 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000759063_100011215938 [0,3,0,0,0,0|0,0,0]=3 39524 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000752267_100011215641 [0,3,0,0,0,0|0,0,0]=3 39525 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000759063_100011215938 [0,3,0,0,0,0|0,0,0]=3 39526 B12R0.234 CCCOCCOCCCC(=O)N 34a_100000752267_100102525003 [0,3,0,0,0,0|0,0,1]=4 39527 B12R0.234 CCCOCCOCCCC(=O)N 7a_100000752267_100102525003 [0,3,0,0,0,0|0,0,1]=4 39528 B12R0.234 CCCOCCOCCCC(C)C 34a_100000210774_100011215938 [0,3,0,0,0,0|0,0,0]=3 39529 B12R0.234 CCCOCCOCCCC(C)C 34a_100000752267_100011214892 [0,3,0,0,0,0|0,0,0]=3 39530 B12R0.234 CCCOCCOCCCC(C)C 7a_100000210774_100011215938 [0,3,0,0,0,0|0,0,0]=3 39531 B12R0.234 CCCOCCOCCCC(C)C 7a_100000752267_100011214892 [0,3,0,0,0,0|0,0,0]=3 39532 B12R0.234 CCCOCCOCCCC(C)O 34a_100000752267_200000718107 [0,3,0,0,0,0|0,0,0]=3 39533 B12R0.234 CCCOCCOCCCC(C)O 7a_100000752267_200000718107 [0,3,0,0,0,0|0,0,0]=3 39534 B12R0.234 CCCOCCOCCCN(C)C 7a_100000752267_100000757444 [0,3,0,0,0,0|0,0,0]=3 39535 B12R0.234 CCCOCCOCCC[N+](=O)[O-] 34a_200000037920_100011215938 [0,3,0,0,0,0|1,0,0]=4 39536 B12R0.234 CCCOCCOCCNC(=O)C 11a_200011904461_100015343762 [0,3,0,0,0,0|0,0,1]=4 39537 B12R0.234 CCCOCCOCCNC(=O)C 1626a_200011904461_100015343762 [0,3,0,0,0,0|0,0,1]=4 39538 B12R0.234 CCCOCCOCCNC(=O)C 240690a_200011904461_100015343762 [0,3,0,0,0,0|0,0,1]=4 39539 B12R0.234 CCCOCCOCCNC(=O)C 34a_100000158858_100011215938 [0,3,0,0,0,0|0,0,1]=4 39540 B12R0.234 CCCOCCOCCNC(=O)C 7a_100000752267_100000189650 [0,3,0,0,0,0|0,0,1]=4 39541 B12R0.234 CCCOCCOCCNC(C)C 2230a_200011904461_100000210206 [0,3,0,0,0,0|0,0,0]=3 39542 B12R0.234 CCCOCCOCCNC(C)C 34a_100000224655_100011215938 [0,3,0,0,0,0|0,0,0]=3 39543 B12R0.234 CCCOCCOCCNC(C)C 34a_200011904461_100000210206 [0,3,0,0,0,0|0,0,0]=3 39544 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000210258_200000083610 [0,3,0,0,0,0|0,0,1]=4 39545 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000752267_100009814007 [0,3,0,0,0,0|0,0,1]=4 39546 B12R0.234 CCCOCCOCCOC(=O)C 7a_100000752267_100009814007 [0,3,0,0,0,0|0,0,1]=4 39547 B12R0.234 CCCOCCOCCOC(C)C 34a_100000211219_100011215938 [0,3,0,0,0,0|0,0,0]=3 39548 B12R0.234 CCCOCCOCCOC(C)C 34a_100000752267_100000211751 [0,3,0,0,0,0|0,0,0]=3 39549 B12R0.234 CCCOCCOCCOC(C)C 7a_100000211219_100011215938 [0,3,0,0,0,0|0,0,0]=3 39550 B12R0.234 CCCOCCOCCOC(C)C 7a_100000752267_100000211751 [0,3,0,0,0,0|0,0,0]=3 39551 B12R0.234 CCCOCCOCCSC(C)C 34a_100000752267_100000730970 [0,3,0,0,0,0|0,0,0]=3 39552 B12R0.234 CCCOCCOCCSC(C)C 34a_200011212901_100011215938 [0,3,0,0,0,0|0,0,0]=3 39553 B12R0.234 CCCOCCOCCSC(C)C 7a_100000752267_100000730970 [0,3,0,0,0,0|0,0,0]=3 39554 B12R0.234 CCCOCCOCCSC(C)C 7a_200011212901_100011215938 [0,3,0,0,0,0|0,0,0]=3 39555 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215641_100011215938 [0,3,0,0,0,0|0,1,0]=4 39556 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215938_100011215641 [0,3,0,0,0,0|0,1,0]=4 39557 B12R0.234 CCCOCCSCCCC(C)C 62a_100011214892_100011215938 [0,3,0,0,0,0|0,1,0]=4 39558 B12R0.234 CCCOCCSCCCC(C)C 62a_100011215938_100011214892 [0,3,0,0,0,0|0,1,0]=4 39559 B12R0.234 CCCOCCSCCCC(C)O 62a_100011215938_200000718107 [0,3,0,0,0,0|0,1,0]=4 39560 B12R0.234 CCCOCCSCCCC(C)O 62a_200000718107_100011215938 [0,3,0,0,0,0|0,1,0]=4 39561 B12R0.234 CCCOCCSCCCN(C)C 62a_100011215938_100000757444 [0,3,0,0,0,0|0,1,0]=4 39562 B12R0.234 CCCOCCSCCOC(C)C 62a_100000211751_100011215938 [0,3,0,0,0,0|0,1,0]=4 39563 B12R0.234 CCCOCCSCCOC(C)C 62a_100011215938_100000211751 [0,3,0,0,0,0|0,1,0]=4 39564 B12R0.234 CCCOCCSCCSC(C)C 62a_100000730970_100011215938 [0,3,0,0,0,0|0,1,0]=4 39565 B12R0.234 CCCOCCSCCSC(C)C 62a_100011215938_100000730970 [0,3,0,0,0,0|0,1,0]=4 39566 B12R0.234 CCCSCCNCCCC(C)C 2230a_100020603323_100011214892 [0,3,0,0,0,0|1,0,0]=4 39567 B12R0.234 CCCSCCNCCCC(C)O 2230a_100020603323_200000718107 [0,3,0,0,0,0|1,0,0]=4 39568 B12R0.234 CCCSCCNCCOC(C)C 2230a_100020603323_100000211751 [0,3,0,0,0,0|1,0,0]=4 39569 B12R0.234 CCCSCCNCCSC(C)C 2230a_100020603323_100000730970 [0,3,0,0,0,0|1,0,0]=4 39570 B12R0.234 CCCSCCOCCC=C(C)C 34a_200000230433_100011217483 [0,3,0,0,0,0|0,0,1]=4 39571 B12R0.234 CCCSCCOCCC=C(C)C 7a_200000230433_100011217483 [0,3,0,0,0,0|0,0,1]=4 39572 B12R0.234 CCCSCCOCCCC(=O)C 34a_200000230433_100000685027 [0,3,0,0,0,0|0,0,0]=3 39573 B12R0.234 CCCSCCOCCCC(=O)C 7a_200000230433_100011215641 [0,3,0,0,0,0|0,0,0]=3 39574 B12R0.234 CCCSCCOCCCC(=O)N 34a_200000230433_100102525003 [0,3,0,0,0,0|0,0,1]=4 39575 B12R0.234 CCCSCCOCCCC(=O)N 7a_200000230433_100102525003 [0,3,0,0,0,0|0,0,1]=4 39576 B12R0.234 CCCSCCOCCCC(C)C 34a_200000230433_100011214892 [0,3,0,0,0,0|0,0,0]=3 39577 B12R0.234 CCCSCCOCCCC(C)C 7a_200000230433_100011214892 [0,3,0,0,0,0|0,0,0]=3 39578 B12R0.234 CCCSCCOCCCC(C)O 34a_200000230433_200000718107 [0,3,0,0,0,0|0,0,0]=3 39579 B12R0.234 CCCSCCOCCCC(C)O 7a_200000230433_200000718107 [0,3,0,0,0,0|0,0,0]=3 39580 B12R0.234 CCCSCCOCCCN(C)C 7a_200000230433_100000757444 [0,3,0,0,0,0|0,0,0]=3 39581 B12R0.234 CCCSCCOCCNC(=O)C 7a_200000230433_100000189650 [0,3,0,0,0,0|0,0,1]=4 39582 B12R0.234 CCCSCCOCCOC(=O)C 34a_200000230433_100009814007 [0,3,0,0,0,0|0,0,1]=4 39583 B12R0.234 CCCSCCOCCOC(=O)C 62a_100000210303_200000083610 [0,3,0,0,0,0|0,0,1]=4 39584 B12R0.234 CCCSCCOCCOC(=O)C 62a_200000083610_100000210303 [0,3,0,0,0,0|0,0,1]=4 39585 B12R0.234 CCCSCCOCCOC(=O)C 7a_200000230433_100009814007 [0,3,0,0,0,0|0,0,1]=4 39586 B12R0.234 CCCSCCOCCOC(C)C 34a_200000230433_100000211751 [0,3,0,0,0,0|0,0,0]=3 39587 B12R0.234 CCCSCCOCCOC(C)C 7a_200000230433_100000211751 [0,3,0,0,0,0|0,0,0]=3 39588 B12R0.234 CCCSCCOCCSC(C)C 34a_200000230433_100000730970 [0,3,0,0,0,0|0,0,0]=3 39589 B12R0.234 CCCSCCOCCSC(C)C 7a_200000230433_100000730970 [0,3,0,0,0,0|0,0,0]=3 39590 B12R0.234 CCOCCCCCCCC(C)C 34a_200000210741_100000210202 [0,3,0,0,0,0|1,0,0]=4 39591 B12R0.234 CCOCCCCCCCC(C)C 7a_200000210741_100000210202 [0,3,0,0,0,0|1,0,0]=4 39592 B12R0.234 CCOCCCNCCCC(=O)C 34a_100000210961_100000685027 [0,3,0,0,0,0|1,0,0]=4 39593 B12R0.234 CCOCCCNCCCC(C)C 2230a_100000210961_100011214892 [0,3,0,0,0,0|1,0,0]=4 39594 B12R0.234 CCOCCCNCCCC(C)C 2230a_200000737386_100012232248 [0,3,0,0,0,0|1,0,0]=4 39595 B12R0.234 CCOCCCNCCCC(C)C 34a_100000210961_100011214892 [0,3,0,0,0,0|1,0,0]=4 39596 B12R0.234 CCOCCCNCCCC(C)C 34a_200000737386_100012232248 [0,3,0,0,0,0|1,0,0]=4 39597 B12R0.234 CCOCCCNCCCC(C)O 2230a_100000210961_200000718107 [0,3,0,0,0,0|1,0,0]=4 39598 B12R0.234 CCOCCCNCCCC(C)O 34a_100000210961_200000718107 [0,3,0,0,0,0|1,0,0]=4 39599 B12R0.234 CCOCCCNCCCS(=O)C 2230a_200000753449_100012232248 [0,3,0,0,0,0|1,0,0]=4 39600 B12R0.234 CCOCCCNCCOC(C)C 2230a_100000210961_100000211751 [0,3,0,0,0,0|1,0,0]=4 39601 B12R0.234 CCOCCCNCCOC(C)C 2230a_100000701111_100012232248 [0,3,0,0,0,0|1,0,0]=4 39602 B12R0.234 CCOCCCNCCOC(C)C 34a_100000210961_100000211751 [0,3,0,0,0,0|1,0,0]=4 39603 B12R0.234 CCOCCCNCCOC(C)C 34a_100000701111_100012232248 [0,3,0,0,0,0|1,0,0]=4 39604 B12R0.234 CCOCCCNCCSC(C)C 2230a_100000210961_100000730970 [0,3,0,0,0,0|1,0,0]=4 39605 B12R0.234 CCOCCCNCCSC(C)C 2230a_100000731138_100012232248 [0,3,0,0,0,0|1,0,0]=4 39606 B12R0.234 CCOCCCNCCSC(C)C 34a_100000210961_100000730970 [0,3,0,0,0,0|1,0,0]=4 39607 B12R0.234 CCOCCCNCCSC(C)C 34a_100000731138_100012232248 [0,3,0,0,0,0|1,0,0]=4 39608 B12R0.234 CCOCCCOCCC=C(C)C 34a_100000757476_100011217483 [0,3,0,0,0,0|0,0,1]=4 39609 B12R0.234 CCOCCCOCCC=C(C)C 7a_100000757476_100011217483 [0,3,0,0,0,0|0,0,1]=4 39610 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000757476_100000685027 [0,3,0,0,0,0|0,0,0]=3 39611 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000759063_100012232248 [0,3,0,0,0,0|0,0,0]=3 39612 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000757476_100011215641 [0,3,0,0,0,0|0,0,0]=3 39613 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000759063_100012232248 [0,3,0,0,0,0|0,0,0]=3 39614 B12R0.234 CCOCCCOCCCC(=O)N 34a_100000757476_100102525003 [0,3,0,0,0,0|0,0,1]=4 39615 B12R0.234 CCOCCCOCCCC(=O)N 7a_100000757476_100102525003 [0,3,0,0,0,0|0,0,1]=4 39616 B12R0.234 CCOCCCOCCCC(C)C 34a_100000210774_100012232248 [0,3,0,0,0,0|0,0,0]=3 39617 B12R0.234 CCOCCCOCCCC(C)C 34a_100000757476_100011214892 [0,3,0,0,0,0|0,0,0]=3 39618 B12R0.234 CCOCCCOCCCC(C)C 7a_100000210774_100012232248 [0,3,0,0,0,0|0,0,0]=3 39619 B12R0.234 CCOCCCOCCCC(C)C 7a_100000757476_100011214892 [0,3,0,0,0,0|0,0,0]=3 39620 B12R0.234 CCOCCCOCCCC(C)O 34a_100000757476_200000718107 [0,3,0,0,0,0|0,0,0]=3 39621 B12R0.234 CCOCCCOCCCC(C)O 7a_100000757476_200000718107 [0,3,0,0,0,0|0,0,0]=3 39622 B12R0.234 CCOCCCOCCCN(C)C 7a_100000757476_100000757444 [0,3,0,0,0,0|0,0,0]=3 39623 B12R0.234 CCOCCCOCCC[N+](=O)[O-] 34a_200000037920_100012232248 [0,3,0,0,0,0|1,0,0]=4 39624 B12R0.234 CCOCCCOCCNC(=O)C 34a_100000158858_100012232248 [0,3,0,0,0,0|0,0,1]=4 39625 B12R0.234 CCOCCCOCCNC(=O)C 7a_100000757476_100000189650 [0,3,0,0,0,0|0,0,1]=4 39626 B12R0.234 CCOCCCOCCNC(C)C 34a_100000224655_100012232248 [0,3,0,0,0,0|0,0,0]=3 39627 B12R0.234 CCOCCCOCCOC(=O)C 34a_100000757476_100009814007 [0,3,0,0,0,0|0,0,1]=4 39628 B12R0.234 CCOCCCOCCOC(=O)C 7a_100000757476_100009814007 [0,3,0,0,0,0|0,0,1]=4 39629 B12R0.234 CCOCCCOCCOC(C)C 34a_100000211219_100012232248 [0,3,0,0,0,0|0,0,0]=3 39630 B12R0.234 CCOCCCOCCOC(C)C 34a_100000757476_100000211751 [0,3,0,0,0,0|0,0,0]=3 39631 B12R0.234 CCOCCCOCCOC(C)C 7a_100000211219_100012232248 [0,3,0,0,0,0|0,0,0]=3 39632 B12R0.234 CCOCCCOCCOC(C)C 7a_100000757476_100000211751 [0,3,0,0,0,0|0,0,0]=3 39633 B12R0.234 CCOCCCOCCSC(C)C 34a_100000757476_100000730970 [0,3,0,0,0,0|0,0,0]=3 39634 B12R0.234 CCOCCCOCCSC(C)C 34a_200011212901_100012232248 [0,3,0,0,0,0|0,0,0]=3 39635 B12R0.234 CCOCCCOCCSC(C)C 7a_100000757476_100000730970 [0,3,0,0,0,0|0,0,0]=3 39636 B12R0.234 CCOCCCOCCSC(C)C 7a_200011212901_100012232248 [0,3,0,0,0,0|0,0,0]=3 39637 B12R0.234 CCOCCCSCCCC(=O)C 62a_100011215641_100012232248 [0,3,0,0,0,0|0,1,0]=4 39638 B12R0.234 CCOCCCSCCCC(=O)C 62a_100012232248_100011215641 [0,3,0,0,0,0|0,1,0]=4 39639 B12R0.234 CCOCCCSCCCC(C)C 62a_100011214892_100012232248 [0,3,0,0,0,0|0,1,0]=4 39640 B12R0.234 CCOCCCSCCCC(C)C 62a_100012232248_100011214892 [0,3,0,0,0,0|0,1,0]=4 39641 B12R0.234 CCOCCCSCCCC(C)O 62a_100012232248_200000718107 [0,3,0,0,0,0|0,1,0]=4 39642 B12R0.234 CCOCCCSCCCC(C)O 62a_200000718107_100012232248 [0,3,0,0,0,0|0,1,0]=4 39643 B12R0.234 CCOCCCSCCCN(C)C 62a_100012232248_100000757444 [0,3,0,0,0,0|0,1,0]=4 39644 B12R0.234 CCOCCCSCCOC(C)C 62a_100000211751_100012232248 [0,3,0,0,0,0|0,1,0]=4 39645 B12R0.234 CCOCCCSCCOC(C)C 62a_100012232248_100000211751 [0,3,0,0,0,0|0,1,0]=4 39646 B12R0.234 CCOCCCSCCSC(C)C 62a_100000730970_100012232248 [0,3,0,0,0,0|0,1,0]=4 39647 B12R0.234 CCOCCCSCCSC(C)C 62a_100012232248_100000730970 [0,3,0,0,0,0|0,1,0]=4 39648 B12R0.234 CCOCCNCCCCC(=O)C 34a_102516460346_100009817362 [0,3,0,0,0,0|1,0,0]=4 39649 B12R0.234 CCOCCNCCCCC(C)C 2230a_102516460346_100011216152 [0,3,0,0,0,0|1,0,0]=4 39650 B12R0.234 CCOCCNCCCCC(C)C 34a_102516460346_100011216152 [0,3,0,0,0,0|1,0,0]=4 39651 B12R0.234 CCOCCNCCCOC(C)C 2230a_100000737246_100011215890 [0,3,0,0,0,0|1,0,0]=4 39652 B12R0.234 CCOCCNCCCOC(C)C 34a_100000737246_100000210147 [0,3,0,0,0,0|1,0,0]=4 39653 B12R0.234 CCOCCOCCCCB(O)O 34a_100000210136_200009817182 [0,3,0,0,0,0|1,0,0]=4 39654 B12R0.234 CCOCCOCCCCB(O)O 7a_100000210136_200009817182 [0,3,0,0,0,0|1,0,0]=4 39655 B12R0.234 CCOCCOCCCCC(=O)C 34a_100000210136_100009817362 [0,3,0,0,0,0|0,0,0]=3 39656 B12R0.234 CCOCCOCCCCC(=O)C 7a_100000210136_100000735457 [0,3,0,0,0,0|0,0,0]=3 39657 B12R0.234 CCOCCOCCCCC(=O)N 34a_100012022536_100000210147 [0,3,0,0,0,0|0,0,1]=4 39658 B12R0.234 CCOCCOCCCCC(=O)N 7a_100012022536_100011215890 [0,3,0,0,0,0|0,0,1]=4 39659 B12R0.234 CCOCCOCCCCC(C)C 34a_100000210136_100011216152 [0,3,0,0,0,0|0,0,0]=3 39660 B12R0.234 CCOCCOCCCCC(C)C 34a_100011214890_100000210147 [0,3,0,0,0,0|0,0,0]=3 39661 B12R0.234 CCOCCOCCCCC(C)C 7a_100000210136_100011216152 [0,3,0,0,0,0|0,0,0]=3 39662 B12R0.234 CCOCCOCCCCC(C)C 7a_100011214890_100011215890 [0,3,0,0,0,0|0,0,0]=3 39663 B12R0.234 CCOCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210147 [0,3,0,0,0,0|1,0,0]=4 39664 B12R0.234 CCOCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215890 [0,3,0,0,0,0|1,0,0]=4 39665 B12R0.234 CCOCCOCCCNC(=O)C 34a_100000752032_100000210147 [0,3,0,0,0,0|0,0,1]=4 39666 B12R0.234 CCOCCOCCCNC(C)C 34a_100000182298_100000210147 [0,3,0,0,0,0|0,0,0]=3 39667 B12R0.234 CCOCCOCCCOC(=O)C 34a_100000210136_100000042594 [0,3,0,0,0,0|0,0,1]=4 39668 B12R0.234 CCOCCOCCCOC(=O)C 7a_100000210136_100000042594 [0,3,0,0,0,0|0,0,1]=4 39669 B12R0.234 CCOCCOCCCOC(=S)C 34a_100000210136_200135323944 [0,3,0,0,0,0|0,0,1]=4 39670 B12R0.234 CCOCCOCCCOC(=S)C 7a_100000210136_200135323944 [0,3,0,0,0,0|0,0,1]=4 39671 B12R0.234 CCOCCOCCCSC(=O)C 34a_100000210136_100000038929 [0,3,0,0,0,0|0,0,1]=4 39672 B12R0.234 CCOCCOCCCSC(=O)C 7a_100000210136_100000038929 [0,3,0,0,0,0|0,0,1]=4 39673 B12R0.234 CCOCCOCCNCC(C)C 2230a_100000210953_100011211534 [0,3,0,0,0,0|0,0,0]=3 39674 B12R0.234 CCOCCOCCNCC(C)C 2230a_100102712874_100000210760 [0,3,0,0,0,0|0,0,0]=3 39675 B12R0.234 CCOCCOCCNCC(C)C 270004a_100102712874_100000210432 [0,3,0,0,0,0|0,0,0]=3 39676 B12R0.234 CCOCCOCCNCC(C)C 34a_100000210953_100011211534 [0,3,0,0,0,0|0,0,0]=3 39677 B12R0.234 CCOCCOCCNCC(C)C 34a_100015185251_100000210147 [0,3,0,0,0,0|0,0,0]=3 39678 B12R0.234 CCOCCOCCNCC(C)C 34a_100102712874_100000210624 [0,3,0,0,0,0|0,0,0]=3 39679 B12R0.234 CCOCCOCCNCC(C)O 2230a_100000210904_100011211534 [0,3,0,0,0,0|0,0,0]=3 39680 B12R0.234 CCOCCOCCNCC(C)O 2230a_100102712874_100011218427 [0,3,0,0,0,0|0,0,0]=3 39681 B12R0.234 CCOCCOCCNCC(C)O 34a_100000210904_100011211534 [0,3,0,0,0,0|0,0,0]=3 39682 B12R0.234 CCOCCOCCNCC(C)O 34a_100102712874_100011218427 [0,3,0,0,0,0|0,0,0]=3 39683 B12R0.234 CCOCCOCCNCC(F)F 2230a_100102712874_100011934356 [0,3,0,0,0,0|1,0,0]=4 39684 B12R0.234 CCOCCOCCNCC(F)F 34a_100000765723_100011211534 [0,3,0,0,0,0|1,0,0]=4 39685 B12R0.234 CCOCCOCCNCC(F)F 34a_100102712874_100011934356 [0,3,0,0,0,0|1,0,0]=4 39686 B12R0.234 CCOCCOCCNC[C@@H](C)O 2230a_100102712874_100009817552 [0,3,0,0,0,0|0,0,0]=3 39687 B12R0.234 CCOCCOCCNC[C@@H](C)O 34a_100102712874_100009817552 [0,3,0,0,0,0|0,0,0]=3 39688 B12R0.234 CCOCCOCCOCC(=O)C 34a_100000211253_100011211534 [0,3,0,0,0,0|0,0,1]=4 39689 B12R0.234 CCOCCOCCOCC(C)Br 34a_100012180447_100011211534 [0,3,0,0,0,0|0,0,0]=3 39690 B12R0.234 CCOCCOCCOCC(C)C 34a_100000210240_100000210624 [0,3,0,0,0,0|0,0,0]=3 39691 B12R0.234 CCOCCOCCOCC(C)C 34a_100000210257_100011211534 [0,3,0,0,0,0|0,0,0]=3 39692 B12R0.234 CCOCCOCCOCC(C)C 34a_100000703358_100000210147 [0,3,0,0,0,0|0,0,0]=3 39693 B12R0.234 CCOCCOCCOCC(C)C 7a_100000210240_100000210760 [0,3,0,0,0,0|0,0,0]=3 39694 B12R0.234 CCOCCOCCOCC(C)C 7a_100000703358_100011215890 [0,3,0,0,0,0|0,0,0]=3 39695 B12R0.234 CCOCCOCCOCC(C)F 34a_100015925927_100011211534 [0,3,0,0,0,0|0,0,0]=3 39696 B12R0.234 CCOCCOCCOCC(C)O 34a_100000210240_100011218427 [0,3,0,0,0,0|0,0,0]=3 39697 B12R0.234 CCOCCOCCOCC(C)O 7a_100000210240_100011218427 [0,3,0,0,0,0|0,0,0]=3 39698 B12R0.234 CCOCCOCCOCC(F)F 34a_100000210136_200012177212 [0,3,0,0,0,0|1,0,0]=4 39699 B12R0.234 CCOCCOCCOCC(F)F 34a_100000210240_100011934356 [0,3,0,0,0,0|1,0,0]=4 39700 B12R0.234 CCOCCOCCOCC(F)F 34a_100000704375_100000210147 [0,3,0,0,0,0|1,0,0]=4 39701 B12R0.234 CCOCCOCCOCC(F)F 34a_100000743014_100011211534 [0,3,0,0,0,0|1,0,0]=4 39702 B12R0.234 CCOCCOCCOCC(F)F 34a_100010782186_100000210202 [0,3,0,0,0,0|1,0,0]=4 39703 B12R0.234 CCOCCOCCOCC(F)F 7a_100000210136_200012177212 [0,3,0,0,0,0|1,0,0]=4 39704 B12R0.234 CCOCCOCCOCC(F)F 7a_100000210240_100011934356 [0,3,0,0,0,0|1,0,0]=4 39705 B12R0.234 CCOCCOCCOCC(F)F 7a_100000704375_100011215890 [0,3,0,0,0,0|1,0,0]=4 39706 B12R0.234 CCOCCOCCOCC(F)F 7a_100010782186_100000210202 [0,3,0,0,0,0|1,0,0]=4 39707 B12R0.234 CCOCCOCCOC[C@@H](C)Cl 34a_100016084084_100011211534 [0,3,0,0,0,0|0,0,0]=3 39708 B12R0.234 CCOCCOCCOC[C@@H](C)N 34a_100000737577_100011211534 [0,3,0,0,0,0|0,0,0]=3 39709 B12R0.234 CCOCCOCCOC[C@@H](C)O 34a_100000210240_100009817552 [0,3,0,0,0,0|0,0,0]=3 39710 B12R0.234 CCOCCOCCOC[C@@H](C)O 7a_100000210240_100009817552 [0,3,0,0,0,0|0,0,0]=3 39711 B12R0.234 CCOCCOCCSCC(C)C 34a_200000230437_100000210147 [0,3,0,0,0,0|0,0,0]=3 39712 B12R0.234 CCOCCOCCSCC(C)C 62a_100000210624_100011211534 [0,3,0,0,0,0|0,0,0]=3 39713 B12R0.234 CCOCCOCCSCC(C)C 62a_100011211534_100000210760 [0,3,0,0,0,0|0,0,0]=3 39714 B12R0.234 CCOCCOCCSCC(C)C 7a_200000230437_100011215890 [0,3,0,0,0,0|0,0,0]=3 39715 B12R0.234 CCOCCOCCSCC(C)O 62a_100011211534_100011218427 [0,3,0,0,0,0|0,0,0]=3 39716 B12R0.234 CCOCCOCCSCC(C)O 62a_100011218427_100011211534 [0,3,0,0,0,0|0,0,0]=3 39717 B12R0.234 CCOCCOCCSCC(F)F 62a_100011211534_100011934356 [0,3,0,0,0,0|1,0,0]=4 39718 B12R0.234 CCOCCOCCSCC(F)F 62a_100011934356_100011211534 [0,3,0,0,0,0|1,0,0]=4 39719 B12R0.234 CCOCCOCCSC[C@@H](C)O 62a_100009817552_100011211534 [0,3,0,0,0,0|0,0,0]=3 39720 B12R0.234 CCOCCOCCSC[C@@H](C)O 62a_100011211534_100009817552 [0,3,0,0,0,0|0,0,0]=3 39721 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000210147_100000735457 [0,3,0,0,0,0|0,1,0]=4 39722 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000735457_100011215890 [0,3,0,0,0,0|0,1,0]=4 39723 B12R0.234 CCOCCSCCCCC(C)C 62a_100000210147_100011216152 [0,3,0,0,0,0|0,1,0]=4 39724 B12R0.234 CCOCCSCCCCC(C)C 62a_100011216152_100011215890 [0,3,0,0,0,0|0,1,0]=4 39725 B12R0.234 CCOCCSCCCCN(C)C 62a_100000210147_100000690147 [0,3,0,0,0,0|0,1,0]=4 39726 B12R0.234 CCOCSCCCCCC(C)C 62a_100000210682_100000739092 [0,3,0,0,0,0|1,0,0]=4 39727 B12R0.234 CCOCSCCCCCC(C)C 62a_100000739092_100000210682 [0,3,0,0,0,0|1,0,0]=4 39728 B12R0.234 CCSCCCOCCC=C(C)C 34a_100011216438_100011217483 [0,3,0,0,0,0|0,0,1]=4 39729 B12R0.234 CCSCCCOCCC=C(C)C 7a_100011216438_100011217483 [0,3,0,0,0,0|0,0,1]=4 39730 B12R0.234 CCSCCCOCCCC(=O)C 34a_100011216438_100000685027 [0,3,0,0,0,0|0,0,0]=3 39731 B12R0.234 CCSCCCOCCCC(=O)C 7a_100011216438_100011215641 [0,3,0,0,0,0|0,0,0]=3 39732 B12R0.234 CCSCCCOCCCC(=O)N 34a_100011216438_100102525003 [0,3,0,0,0,0|0,0,1]=4 39733 B12R0.234 CCSCCCOCCCC(=O)N 7a_100011216438_100102525003 [0,3,0,0,0,0|0,0,1]=4 39734 B12R0.234 CCSCCCOCCCC(C)C 34a_100011216438_100011214892 [0,3,0,0,0,0|0,0,0]=3 39735 B12R0.234 CCSCCCOCCCC(C)C 7a_100011216438_100011214892 [0,3,0,0,0,0|0,0,0]=3 39736 B12R0.234 CCSCCCOCCCC(C)O 34a_100011216438_200000718107 [0,3,0,0,0,0|0,0,0]=3 39737 B12R0.234 CCSCCCOCCCC(C)O 7a_100011216438_200000718107 [0,3,0,0,0,0|0,0,0]=3 39738 B12R0.234 CCSCCCOCCCN(C)C 7a_100011216438_100000757444 [0,3,0,0,0,0|0,0,0]=3 39739 B12R0.234 CCSCCCOCCNC(=O)C 7a_100011216438_100000189650 [0,3,0,0,0,0|0,0,1]=4 39740 B12R0.234 CCSCCCOCCOC(=O)C 34a_100011216438_100009814007 [0,3,0,0,0,0|0,0,1]=4 39741 B12R0.234 CCSCCCOCCOC(=O)C 7a_100011216438_100009814007 [0,3,0,0,0,0|0,0,1]=4 39742 B12R0.234 CCSCCCOCCOC(C)C 34a_100011216438_100000211751 [0,3,0,0,0,0|0,0,0]=3 39743 B12R0.234 CCSCCCOCCOC(C)C 7a_100011216438_100000211751 [0,3,0,0,0,0|0,0,0]=3 39744 B12R0.234 CCSCCCOCCSC(C)C 34a_100011216438_100000730970 [0,3,0,0,0,0|0,0,0]=3 39745 B12R0.234 CCSCCCOCCSC(C)C 7a_100011216438_100000730970 [0,3,0,0,0,0|0,0,0]=3 39746 B12R0.234 CCSCCNCCCCC(C)C 2230a_100000106463_100011216152 [0,3,0,0,0,0|1,0,0]=4 39747 B12R0.234 CCSCCNCCCOC(C)C 2230a_100000737246_100000757381 [0,3,0,0,0,0|1,0,0]=4 39748 B12R0.234 CCSCCNCCCOC(C)C 34a_100000737246_100000757381 [0,3,0,0,0,0|1,0,0]=4 39749 B12R0.234 CCSCCOCCCCB(O)O 34a_100000212035_200009817182 [0,3,0,0,0,0|1,0,0]=4 39750 B12R0.234 CCSCCOCCCCB(O)O 7a_100000212035_200009817182 [0,3,0,0,0,0|1,0,0]=4 39751 B12R0.234 CCSCCOCCCCC(=O)C 34a_100000212035_100009817362 [0,3,0,0,0,0|0,0,0]=3 39752 B12R0.234 CCSCCOCCCCC(=O)C 7a_100000212035_100000735457 [0,3,0,0,0,0|0,0,0]=3 39753 B12R0.234 CCSCCOCCCCC(=O)N 34a_100012022536_100000757381 [0,3,0,0,0,0|0,0,1]=4 39754 B12R0.234 CCSCCOCCCCC(=O)N 7a_100012022536_100000757381 [0,3,0,0,0,0|0,0,1]=4 39755 B12R0.234 CCSCCOCCCCC(C)C 34a_100000212035_100011216152 [0,3,0,0,0,0|0,0,0]=3 39756 B12R0.234 CCSCCOCCCCC(C)C 34a_100011214890_100000757381 [0,3,0,0,0,0|0,0,0]=3 39757 B12R0.234 CCSCCOCCCCC(C)C 7a_100000212035_100011216152 [0,3,0,0,0,0|0,0,0]=3 39758 B12R0.234 CCSCCOCCCCC(C)C 7a_100011214890_100000757381 [0,3,0,0,0,0|0,0,0]=3 39759 B12R0.234 CCSCCOCCCC[N+](=O)[O-] 34a_200015379883_100000757381 [0,3,0,0,0,0|1,0,0]=4 39760 B12R0.234 CCSCCOCCCC[N+](=O)[O-] 7a_200015379883_100000757381 [0,3,0,0,0,0|1,0,0]=4 39761 B12R0.234 CCSCCOCCCNC(=O)C 34a_100000752032_100000757381 [0,3,0,0,0,0|0,0,1]=4 39762 B12R0.234 CCSCCOCCCNC(C)C 34a_100000182298_100000757381 [0,3,0,0,0,0|0,0,0]=3 39763 B12R0.234 CCSCCOCCCOC(=O)C 34a_100000212035_100000042594 [0,3,0,0,0,0|0,0,1]=4 39764 B12R0.234 CCSCCOCCCOC(=O)C 7a_100000212035_100000042594 [0,3,0,0,0,0|0,0,1]=4 39765 B12R0.234 CCSCCOCCCOC(=S)C 34a_100000212035_200135323944 [0,3,0,0,0,0|0,0,1]=4 39766 B12R0.234 CCSCCOCCCOC(=S)C 7a_100000212035_200135323944 [0,3,0,0,0,0|0,0,1]=4 39767 B12R0.234 CCSCCOCCCSC(=O)C 34a_100000212035_100000038929 [0,3,0,0,0,0|0,0,1]=4 39768 B12R0.234 CCSCCOCCCSC(=O)C 7a_100000212035_100000038929 [0,3,0,0,0,0|0,0,1]=4 39769 B12R0.234 CCSCCOCCNCC(C)C 34a_100015185251_100000757381 [0,3,0,0,0,0|0,0,0]=3 39770 B12R0.234 CCSCCOCCOCC(C)C 34a_100000703358_100000757381 [0,3,0,0,0,0|0,0,0]=3 39771 B12R0.234 CCSCCOCCOCC(C)C 7a_100000703358_100000757381 [0,3,0,0,0,0|0,0,0]=3 39772 B12R0.234 CCSCCOCCOCC(F)F 34a_100000212035_200012177212 [0,3,0,0,0,0|1,0,0]=4 39773 B12R0.234 CCSCCOCCOCC(F)F 34a_100000704375_100000757381 [0,3,0,0,0,0|1,0,0]=4 39774 B12R0.234 CCSCCOCCOCC(F)F 7a_100000212035_200012177212 [0,3,0,0,0,0|1,0,0]=4 39775 B12R0.234 CCSCCOCCOCC(F)F 7a_100000704375_100000757381 [0,3,0,0,0,0|1,0,0]=4 39776 B12R0.234 CCSCCOCCSCC(C)C 34a_200000230437_100000757381 [0,3,0,0,0,0|0,0,0]=3 39777 B12R0.234 CCSCCOCCSCC(C)C 7a_200000230437_100000757381 [0,3,0,0,0,0|0,0,0]=3 39778 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000735457_100000757381 [0,3,0,0,0,0|0,1,0]=4 39779 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000757381_100000735457 [0,3,0,0,0,0|0,1,0]=4 39780 B12R0.234 CCSCCSCCCCC(C)C 62a_100000757381_100011216152 [0,3,0,0,0,0|0,1,0]=4 39781 B12R0.234 CCSCCSCCCCC(C)C 62a_100011216152_100000757381 [0,3,0,0,0,0|0,1,0]=4 39782 B12R0.234 CCSCCSCCCCN(C)C 62a_100000757381_100000690147 [0,3,0,0,0,0|0,1,0]=4 39783 B12R0.234 CN(C)CCCCCCCCCO 2230a_100102631434_100009813782 [0,3,0,0,0,0|1,0,0]=4 39784 B12R0.234 CN(C)CCCCCCCCCO 269982a_100102631434_100009813782 [0,3,0,0,0,0|1,0,0]=4 39785 B12R0.234 CN(C)CCCCSCCCCF 62a_100000729493_100000690147 [0,3,0,0,0,0|0,1,0]=4 39786 B12R0.234 CN(C)CCCCSCCCCO 62a_100000210776_100000690147 [0,3,0,0,0,0|0,1,0]=4 39787 B12R0.234 CN(C)CCCOCCCCCBr 7a_100000746331_100000757444 [0,3,0,0,0,0|0,0,0]=3 39788 B12R0.234 CN(C)CCCOCCCCCCl 7a_100000746330_100000757444 [0,3,0,0,0,0|0,0,0]=3 39789 B12R0.234 CN(C)CCCOCCCCCI 7a_200012148887_100000757444 [0,3,0,0,0,0|0,0,0]=3 39790 B12R0.234 CN(C)CCCOCCOCCBr 7a_100000692535_100000757444 [0,3,0,0,0,0|1,0,0]=4 39791 B12R0.234 CN(C)CCCOCCOCCCl 7a_100011215305_100000757444 [0,3,0,0,0,0|1,0,0]=4 39792 B12R0.234 CN(C)CCCOCCOCCF 7a_200015357709_100000757444 [0,3,0,0,0,0|1,0,0]=4 39793 B12R0.234 CN(C)CCCOCCOCCI 7a_100012149058_100000757444 [0,3,0,0,0,0|1,0,0]=4 39794 B12R0.234 CN(C)CCCSCCCCCF 62a_100000729378_100000757444 [0,3,0,0,0,0|0,1,0]=4 39795 B12R0.234 CN(C)CCCSCCCCCO 62a_100000746330_100000757444 [0,3,0,0,0,0|0,1,0]=4 39796 B12R0.234 CN(C)CCOCCCCCCBr 7a_100011215345_100000755713 [0,3,0,0,0,0|1,0,0]=4 39797 B12R0.234 CN(C)CCOCCCCCCCl 7a_100000766143_100000755713 [0,3,0,0,0,0|1,0,0]=4 39798 B12R0.234 CN(C)CCOCCCCCCF 7a_100000732779_100000755713 [0,3,0,0,0,0|1,0,0]=4 39799 B12R0.234 CNCCCCCOCCC(C)C 34a_100000722520_100000210312 [0,3,0,0,0,0|0,0,0]=3 39800 B12R0.234 CNCCCCCOCCC(C)O 34a_100000722520_100012276601 [0,3,0,0,0,0|0,0,0]=3 39801 B12R0.234 CNCCCCCOCOC(C)C 34a_100000722520_100000709892 [0,3,0,0,0,0|1,0,0]=4 39802 B12R0.234 CNCCCOCCCCB(O)O 34a_100000213112_200009817182 [0,3,0,0,0,0|1,0,0]=4 39803 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [0,3,0,0,0,0|0,0,0]=3 39804 B12R0.234 CNCCCOCCCCC(C)C 34a_100000213112_100011216152 [0,3,0,0,0,0|0,0,0]=3 39805 B12R0.234 CNCCCOCCCOC(=O)C 34a_100000213112_100000042594 [0,3,0,0,0,0|0,0,1]=4 39806 B12R0.234 CNCCCOCCCOC(=S)C 34a_100000213112_200135323944 [0,3,0,0,0,0|0,0,1]=4 39807 B12R0.234 CNCCCOCCCSC(=O)C 34a_100000213112_100000038929 [0,3,0,0,0,0|0,0,1]=4 39808 B12R0.234 CNCCCOCCOCC(F)F 34a_100000213112_200012177212 [0,3,0,0,0,0|1,0,0]=4 39809 B12R0.234 CNCCOCCOCCC(C)C 34a_100000228057_100000210312 [0,3,0,0,0,0|0,0,0]=3 39810 B12R0.234 CNCCOCCOCCC(C)O 34a_100000228057_100012276601 [0,3,0,0,0,0|0,0,0]=3 39811 B12R0.234 CNCCOCCOCOC(C)C 34a_100000228057_100000709892 [0,3,0,0,0,0|1,0,0]=4 39812 B12R0.234 COCCCCCCNCC(C)C 2230a_100000210953_100011998445 [0,3,0,0,0,0|1,0,0]=4 39813 B12R0.234 COCCCCCCNCC(C)C 34a_100000210953_100011998445 [0,3,0,0,0,0|1,0,0]=4 39814 B12R0.234 COCCCCCCNCC(C)O 2230a_100000210904_100011998445 [0,3,0,0,0,0|1,0,0]=4 39815 B12R0.234 COCCCCCCNCC(C)O 34a_100000210904_100011998445 [0,3,0,0,0,0|1,0,0]=4 39816 B12R0.234 COCCCCCCOCC(C)Br 34a_100012180447_100011998445 [0,3,0,0,0,0|1,0,0]=4 39817 B12R0.234 COCCCCCCOCC(C)C 34a_100000210257_100011998445 [0,3,0,0,0,0|1,0,0]=4 39818 B12R0.234 COCCCCCCOCC(C)C 34a_200012092642_100000210624 [0,3,0,0,0,0|1,0,0]=4 39819 B12R0.234 COCCCCCCOCC(C)C 7a_200012092642_100000210760 [0,3,0,0,0,0|1,0,0]=4 39820 B12R0.234 COCCCCCCOCC(C)F 34a_100015925927_100011998445 [0,3,0,0,0,0|1,0,0]=4 39821 B12R0.234 COCCCCCCOCC(C)O 34a_200012092642_100011218427 [0,3,0,0,0,0|1,0,0]=4 39822 B12R0.234 COCCCCCCOCC(C)O 7a_200012092642_100011218427 [0,3,0,0,0,0|1,0,0]=4 39823 B12R0.234 COCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011998445 [0,3,0,0,0,0|1,0,0]=4 39824 B12R0.234 COCCCCCCOC[C@@H](C)N 34a_100000737577_100011998445 [0,3,0,0,0,0|1,0,0]=4 39825 B12R0.234 COCCCCCCOC[C@@H](C)O 34a_200012092642_100009817552 [0,3,0,0,0,0|1,0,0]=4 39826 B12R0.234 COCCCCCCOC[C@@H](C)O 7a_200012092642_100009817552 [0,3,0,0,0,0|1,0,0]=4 39827 B12R0.234 COCCCCCCSCC(C)C 62a_100000210624_100011998445 [0,3,0,0,0,0|1,0,0]=4 39828 B12R0.234 COCCCCCCSCC(C)C 62a_100011998445_100000210760 [0,3,0,0,0,0|1,0,0]=4 39829 B12R0.234 COCCCCCCSCC(C)O 62a_100011218427_100011998445 [0,3,0,0,0,0|1,0,0]=4 39830 B12R0.234 COCCCCCCSCC(C)O 62a_100011998445_100011218427 [0,3,0,0,0,0|1,0,0]=4 39831 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100009817552_100011998445 [0,3,0,0,0,0|1,0,0]=4 39832 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100011998445_100009817552 [0,3,0,0,0,0|1,0,0]=4 39833 B12R0.234 COCCCCCNCCC(C)C 2230a_100000747528_100000210312 [0,3,0,0,0,0|1,0,0]=4 39834 B12R0.234 COCCCCCNCCC(C)C 269862a_100000747528_100000185833 [0,3,0,0,0,0|1,0,0]=4 39835 B12R0.234 COCCCCCNCCC(C)C 34a_100000747528_100000210312 [0,3,0,0,0,0|1,0,0]=4 39836 B12R0.234 COCCCCCNCCC(C)O 2230a_100000747528_100012276601 [0,3,0,0,0,0|1,0,0]=4 39837 B12R0.234 COCCCCCNCCC(C)O 34a_100000747528_100012276601 [0,3,0,0,0,0|1,0,0]=4 39838 B12R0.234 COCCCCNCCCC(C)C 2230a_200000737386_100000730899 [0,3,0,0,0,0|1,0,0]=4 39839 B12R0.234 COCCCCNCCCC(C)C 34a_200000737386_100000755781 [0,3,0,0,0,0|1,0,0]=4 39840 B12R0.234 COCCCCNCCCS(=O)C 2230a_200000753449_100000730899 [0,3,0,0,0,0|1,0,0]=4 39841 B12R0.234 COCCCCNCCOC(C)C 2230a_100000701111_100000730899 [0,3,0,0,0,0|1,0,0]=4 39842 B12R0.234 COCCCCNCCOC(C)C 34a_100000701111_100000755781 [0,3,0,0,0,0|1,0,0]=4 39843 B12R0.234 COCCCCNCCSC(C)C 2230a_100000731138_100000730899 [0,3,0,0,0,0|1,0,0]=4 39844 B12R0.234 COCCCCNCCSC(C)C 34a_100000731138_100000755781 [0,3,0,0,0,0|1,0,0]=4 39845 B12R0.234 COCCCCOCCC=C(C)C 34a_100000740925_100011217483 [0,3,0,0,0,0|0,0,1]=4 39846 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [0,3,0,0,0,0|0,0,0]=3 39847 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [0,3,0,0,0,0|0,0,0]=3 39848 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [0,3,0,0,0,0|0,0,0]=3 39849 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [0,3,0,0,0,0|0,0,1]=4 39850 B12R0.234 COCCCCOCCCC(C)C 34a_100000210774_100000755781 [0,3,0,0,0,0|0,0,0]=3 39851 B12R0.234 COCCCCOCCCC(C)C 34a_100000740925_100011214892 [0,3,0,0,0,0|0,0,0]=3 39852 B12R0.234 COCCCCOCCCC(C)C 7a_100000210774_100000730899 [0,3,0,0,0,0|0,0,0]=3 39853 B12R0.234 COCCCCOCCCC(C)O 34a_100000740925_200000718107 [0,3,0,0,0,0|0,0,0]=3 39854 B12R0.234 COCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000755781 [0,3,0,0,0,0|1,0,0]=4 39855 B12R0.234 COCCCCOCCNC(=O)C 34a_100000158858_100000755781 [0,3,0,0,0,0|0,0,1]=4 39856 B12R0.234 COCCCCOCCNC(C)C 34a_100000224655_100000755781 [0,3,0,0,0,0|0,0,0]=3 39857 B12R0.234 COCCCCOCCOC(=O)C 34a_100000740925_100009814007 [0,3,0,0,0,0|0,0,1]=4 39858 B12R0.234 COCCCCOCCOC(C)C 34a_100000211219_100000755781 [0,3,0,0,0,0|0,0,0]=3 39859 B12R0.234 COCCCCOCCOC(C)C 34a_100000740925_100000211751 [0,3,0,0,0,0|0,0,0]=3 39860 B12R0.234 COCCCCOCCOC(C)C 7a_100000211219_100000730899 [0,3,0,0,0,0|0,0,0]=3 39861 B12R0.234 COCCCCOCCSC(C)C 34a_100000740925_100000730970 [0,3,0,0,0,0|0,0,0]=3 39862 B12R0.234 COCCCCOCCSC(C)C 34a_200011212901_100000755781 [0,3,0,0,0,0|0,0,0]=3 39863 B12R0.234 COCCCCOCCSC(C)C 7a_200011212901_100000730899 [0,3,0,0,0,0|0,0,0]=3 39864 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [0,3,0,0,0,0|0,1,0]=4 39865 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [0,3,0,0,0,0|0,1,0]=4 39866 B12R0.234 COCCCCSCCCC(C)C 62a_100000730899_100011214892 [0,3,0,0,0,0|0,1,0]=4 39867 B12R0.234 COCCCCSCCCC(C)C 62a_100011214892_100000730899 [0,3,0,0,0,0|0,1,0]=4 39868 B12R0.234 COCCCCSCCCC(C)O 62a_100000730899_200000718107 [0,3,0,0,0,0|0,1,0]=4 39869 B12R0.234 COCCCCSCCCC(C)O 62a_200000718107_100000730899 [0,3,0,0,0,0|0,1,0]=4 39870 B12R0.234 COCCCCSCCCN(C)C 62a_100000730899_100000757444 [0,3,0,0,0,0|0,1,0]=4 39871 B12R0.234 COCCCCSCCOC(C)C 62a_100000211751_100000730899 [0,3,0,0,0,0|0,1,0]=4 39872 B12R0.234 COCCCCSCCOC(C)C 62a_100000730899_100000211751 [0,3,0,0,0,0|0,1,0]=4 39873 B12R0.234 COCCCCSCCSC(C)C 62a_100000730899_100000730970 [0,3,0,0,0,0|0,1,0]=4 39874 B12R0.234 COCCCCSCCSC(C)C 62a_100000730970_100000730899 [0,3,0,0,0,0|0,1,0]=4 39875 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [0,3,0,0,0,0|1,0,0]=4 39876 B12R0.234 COCCCNCCCCC(C)C 34a_100150723488_100011216152 [0,3,0,0,0,0|1,0,0]=4 39877 B12R0.234 COCCCNCCCOC(C)C 2230a_100000737246_100000740836 [0,3,0,0,0,0|1,0,0]=4 39878 B12R0.234 COCCCNCCCOC(C)C 34a_100000737246_100000740836 [0,3,0,0,0,0|1,0,0]=4 39879 B12R0.234 COCCCOCCCCB(O)O 34a_100000740835_200009817182 [0,3,0,0,0,0|1,0,0]=4 39880 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [0,3,0,0,0,0|0,0,0]=3 39881 B12R0.234 COCCCOCCCCC(=O)N 34a_100012022536_100000740836 [0,3,0,0,0,0|0,0,1]=4 39882 B12R0.234 COCCCOCCCCC(=O)N 7a_100012022536_100000740836 [0,3,0,0,0,0|0,0,1]=4 39883 B12R0.234 COCCCOCCCCC(C)C 34a_100000740835_100011216152 [0,3,0,0,0,0|0,0,0]=3 39884 B12R0.234 COCCCOCCCCC(C)C 34a_100011214890_100000740836 [0,3,0,0,0,0|0,0,0]=3 39885 B12R0.234 COCCCOCCCCC(C)C 7a_100011214890_100000740836 [0,3,0,0,0,0|0,0,0]=3 39886 B12R0.234 COCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000740836 [0,3,0,0,0,0|1,0,0]=4 39887 B12R0.234 COCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000740836 [0,3,0,0,0,0|1,0,0]=4 39888 B12R0.234 COCCCOCCCNC(=O)C 34a_100000752032_100000740836 [0,3,0,0,0,0|0,0,1]=4 39889 B12R0.234 COCCCOCCCNC(C)C 34a_100000182298_100000740836 [0,3,0,0,0,0|0,0,0]=3 39890 B12R0.234 COCCCOCCCOC(=O)C 34a_100000740835_100000042594 [0,3,0,0,0,0|0,0,1]=4 39891 B12R0.234 COCCCOCCCOC(=S)C 34a_100000740835_200135323944 [0,3,0,0,0,0|0,0,1]=4 39892 B12R0.234 COCCCOCCCOC(C)C 34a_200011215475_100000210206 [0,3,0,0,0,0|0,0,0]=3 39893 B12R0.234 COCCCOCCCOC(C)C 7a_200011215475_100000210206 [0,3,0,0,0,0|0,0,0]=3 39894 B12R0.234 COCCCOCCCSC(=O)C 34a_100000740835_100000038929 [0,3,0,0,0,0|0,0,1]=4 39895 B12R0.234 COCCCOCCNCC(C)C 34a_100015185251_100000740836 [0,3,0,0,0,0|0,0,0]=3 39896 B12R0.234 COCCCOCCOCC(C)C 34a_100000703358_100000740836 [0,3,0,0,0,0|0,0,0]=3 39897 B12R0.234 COCCCOCCOCC(C)C 7a_100000703358_100000740836 [0,3,0,0,0,0|0,0,0]=3 39898 B12R0.234 COCCCOCCOCC(F)F 34a_100000704375_100000740836 [0,3,0,0,0,0|1,0,0]=4 39899 B12R0.234 COCCCOCCOCC(F)F 34a_100000740835_200012177212 [0,3,0,0,0,0|1,0,0]=4 39900 B12R0.234 COCCCOCCOCC(F)F 7a_100000704375_100000740836 [0,3,0,0,0,0|1,0,0]=4 39901 B12R0.234 COCCCOCCSCC(C)C 34a_200000230437_100000740836 [0,3,0,0,0,0|0,0,0]=3 39902 B12R0.234 COCCCOCCSCC(C)C 7a_200000230437_100000740836 [0,3,0,0,0,0|0,0,0]=3 39903 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [0,3,0,0,0,0|0,1,0]=4 39904 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [0,3,0,0,0,0|0,1,0]=4 39905 B12R0.234 COCCCSCCCCC(C)C 62a_100000709357_100011216152 [0,3,0,0,0,0|0,1,0]=4 39906 B12R0.234 COCCCSCCCCC(C)C 62a_100011216152_100000709357 [0,3,0,0,0,0|0,1,0]=4 39907 B12R0.234 COCCCSCCCCN(C)C 62a_100000709357_100000690147 [0,3,0,0,0,0|0,1,0]=4 39908 B12R0.234 COCCNCCCCCC(C)C 2230a_100000209980_100000210682 [0,3,0,0,0,0|1,0,0]=4 39909 B12R0.234 COCCNCCCCCC(C)C 2230a_100011290863_100011201679 [0,3,0,0,0,0|1,0,0]=4 39910 B12R0.234 COCCNCCCCCC(C)C 34a_100011290863_100011201679 [0,3,0,0,0,0|1,0,0]=4 39911 B12R0.234 COCCOCCCCCB(O)O 34a_100000210237_200009817188 [0,3,0,0,0,0|1,0,0]=4 39912 B12R0.234 COCCOCCCCCC(=O)N 34a_100000123541_100011201679 [0,3,0,0,0,0|1,0,0]=4 39913 B12R0.234 COCCOCCCCCC(=O)N 34a_100000210237_100009817443 [0,3,0,0,0,0|1,0,0]=4 39914 B12R0.234 COCCOCCCCCC(=O)N 7a_100000123541_100000233755 [0,3,0,0,0,0|1,0,0]=4 39915 B12R0.234 COCCOCCCCCC(=O)[O-] 7a_100102619762_100000233755 [0,3,0,0,0,0|1,0,0]=4 39916 B12R0.234 COCCOCCCCCC(C)C 34a_100000210237_100000210682 [0,3,0,0,0,0|1,0,0]=4 39917 B12R0.234 COCCOCCCCCC(C)C 34a_100011995859_100011201679 [0,3,0,0,0,0|1,0,0]=4 39918 B12R0.234 COCCOCCCCCC(C)C 7a_100011995859_100000233755 [0,3,0,0,0,0|1,0,0]=4 39919 B12R0.234 COCCOCCCCNC(C)C 34a_100011521146_100011201679 [0,3,0,0,0,0|1,0,0]=4 39920 B12R0.234 COCCOCCCCOC(=O)C 34a_100000073216_100011201679 [0,3,0,0,0,0|1,0,0]=4 39921 B12R0.234 COCCOCCCCOC(=O)C 34a_100000210237_100000033659 [0,3,0,0,0,0|1,0,0]=4 39922 B12R0.234 COCCOCCCCOC(=O)C 7a_100000073216_100000233755 [0,3,0,0,0,0|1,0,0]=4 39923 B12R0.234 COCCOCCCCSC(=O)C 34a_100000210237_200010402107 [0,3,0,0,0,0|1,0,0]=4 39924 B12R0.234 COCCOCCCNCC(C)C 2230a_100000206027_100000210760 [0,3,0,0,0,0|1,0,0]=4 39925 B12R0.234 COCCOCCCNCC(C)C 2230a_100000210953_100011216529 [0,3,0,0,0,0|1,0,0]=4 39926 B12R0.234 COCCOCCCNCC(C)C 270004a_100000206027_100000210432 [0,3,0,0,0,0|1,0,0]=4 39927 B12R0.234 COCCOCCCNCC(C)C 34a_100000206027_100000210624 [0,3,0,0,0,0|1,0,0]=4 39928 B12R0.234 COCCOCCCNCC(C)C 34a_100000210953_100011216529 [0,3,0,0,0,0|1,0,0]=4 39929 B12R0.234 COCCOCCCNCC(C)O 2230a_100000206027_100011218427 [0,3,0,0,0,0|1,0,0]=4 39930 B12R0.234 COCCOCCCNCC(C)O 2230a_100000210904_100011216529 [0,3,0,0,0,0|1,0,0]=4 39931 B12R0.234 COCCOCCCNCC(C)O 34a_100000206027_100011218427 [0,3,0,0,0,0|1,0,0]=4 39932 B12R0.234 COCCOCCCNCC(C)O 34a_100000210904_100011216529 [0,3,0,0,0,0|1,0,0]=4 39933 B12R0.234 COCCOCCCNCC(F)F 2230a_100000206027_100011934356 [0,3,0,0,0,0|1,0,0]=4 39934 B12R0.234 COCCOCCCNCC(F)F 34a_100000206027_100011934356 [0,3,0,0,0,0|1,0,0]=4 39935 B12R0.234 COCCOCCCNCC(F)F 34a_100000765723_100011216529 [0,3,0,0,0,0|1,0,0]=4 39936 B12R0.234 COCCOCCCNC[C@@H](C)O 2230a_100000206027_100009817552 [0,3,0,0,0,0|1,0,0]=4 39937 B12R0.234 COCCOCCCNC[C@@H](C)O 34a_100000206027_100009817552 [0,3,0,0,0,0|1,0,0]=4 39938 B12R0.234 COCCOCCCOCC(=O)C 34a_100000211253_100011216529 [0,3,0,0,0,0|1,0,0]=4 39939 B12R0.234 COCCOCCCOCC(C)Br 34a_100012180447_100011216529 [0,3,0,0,0,0|1,0,0]=4 39940 B12R0.234 COCCOCCCOCC(C)C 34a_100000210257_100011216529 [0,3,0,0,0,0|1,0,0]=4 39941 B12R0.234 COCCOCCCOCC(C)F 34a_100015925927_100011216529 [0,3,0,0,0,0|1,0,0]=4 39942 B12R0.234 COCCOCCCOCC(F)F 34a_100000743014_100011216529 [0,3,0,0,0,0|1,0,0]=4 39943 B12R0.234 COCCOCCCOC[C@@H](C)Cl 34a_100016084084_100011216529 [0,3,0,0,0,0|1,0,0]=4 39944 B12R0.234 COCCOCCCOC[C@@H](C)N 34a_100000737577_100011216529 [0,3,0,0,0,0|1,0,0]=4 39945 B12R0.234 COCCOCCCSCC(C)C 62a_100000210624_100011216529 [0,3,0,0,0,0|1,0,0]=4 39946 B12R0.234 COCCOCCCSCC(C)C 62a_100011216529_100000210760 [0,3,0,0,0,0|1,0,0]=4 39947 B12R0.234 COCCOCCCSCC(C)O 62a_100011216529_100011218427 [0,3,0,0,0,0|1,0,0]=4 39948 B12R0.234 COCCOCCCSCC(C)O 62a_100011218427_100011216529 [0,3,0,0,0,0|1,0,0]=4 39949 B12R0.234 COCCOCCCSCC(F)F 62a_100011216529_100011934356 [0,3,0,0,0,0|1,0,0]=4 39950 B12R0.234 COCCOCCCSCC(F)F 62a_100011934356_100011216529 [0,3,0,0,0,0|1,0,0]=4 39951 B12R0.234 COCCOCCCSC[C@@H](C)O 62a_100009817552_100011216529 [0,3,0,0,0,0|1,0,0]=4 39952 B12R0.234 COCCOCCCSC[C@@H](C)O 62a_100011216529_100009817552 [0,3,0,0,0,0|1,0,0]=4 39953 B12R0.234 COCCOCCNCCC(C)C 2230a_100000745349_100000210312 [0,3,0,0,0,0|1,0,0]=4 39954 B12R0.234 COCCOCCNCCC(C)C 269862a_100000745349_100000185833 [0,3,0,0,0,0|1,0,0]=4 39955 B12R0.234 COCCOCCNCCC(C)C 34a_100000745349_100000210312 [0,3,0,0,0,0|1,0,0]=4 39956 B12R0.234 COCCOCCNCCC(C)O 2230a_100000745349_100012276601 [0,3,0,0,0,0|1,0,0]=4 39957 B12R0.234 COCCOCCNCCC(C)O 2230a_200000755665_100000695917 [0,3,0,0,0,0|1,0,0]=4 39958 B12R0.234 COCCOCCNCCC(C)O 34a_100000745349_100012276601 [0,3,0,0,0,0|1,0,0]=4 39959 B12R0.234 COCCOCCNCOC(C)C 2230a_100000745349_100000709892 [0,3,0,0,0,0|1,0,0]=4 39960 B12R0.234 COCCOCCNCOC(C)C 34a_100000745349_100000709892 [0,3,0,0,0,0|1,0,0]=4 39961 B12R0.234 COCCOCCOCCC(=O)C 1458a_100000070787_100013367474 [0,3,0,0,0,0|0,0,1]=4 39962 B12R0.234 COCCOCCOCCC(=O)C 1458a_100012278103_200000210301 [0,3,0,0,0,0|0,0,1]=4 39963 B12R0.234 COCCOCCOCCC(=O)C 34a_100000759926_100000695917 [0,3,0,0,0,0|0,0,1]=4 39964 B12R0.234 COCCOCCOCCC(=O)C 7a_100000759926_100000695917 [0,3,0,0,0,0|0,0,1]=4 39965 B12R0.234 COCCOCCOCCC(=O)C 7a_100011215163_100000053229 [0,3,0,0,0,0|0,0,1]=4 39966 B12R0.234 COCCOCCOCCC(=O)[13CH3] 1458a_100012278103_200025704644 [0,3,0,0,0,0|0,0,1]=4 39967 B12R0.234 COCCOCCOCCC(C)Br 34a_100009893172_100000695917 [0,3,0,0,0,0|0,0,0]=3 39968 B12R0.234 COCCOCCOCCC(C)C 34a_100000210254_100000695917 [0,3,0,0,0,0|0,0,0]=3 39969 B12R0.234 COCCOCCOCCC(C)C 34a_100011215163_100000210312 [0,3,0,0,0,0|0,0,0]=3 39970 B12R0.234 COCCOCCOCCC(C)C 7a_100000210254_100000695917 [0,3,0,0,0,0|0,0,0]=3 39971 B12R0.234 COCCOCCOCCC(C)C 7a_100011215163_100000210626 [0,3,0,0,0,0|0,0,0]=3 39972 B12R0.234 COCCOCCOCCC(C)O 34a_100011215163_100012276601 [0,3,0,0,0,0|0,0,0]=3 39973 B12R0.234 COCCOCCOCCC(C)O 7a_100011215163_100012276601 [0,3,0,0,0,0|0,0,0]=3 39974 B12R0.234 COCCOCCOCCC(F)F 34a_100103093639_100000695917 [0,3,0,0,0,0|1,0,0]=4 39975 B12R0.234 COCCOCCOCCN(C)C 2230a_100102631434_100013367474 [0,3,0,0,0,0|1,0,0]=4 39976 B12R0.234 COCCOCCOCCN(C)C 2230a_200000716983_200000210301 [0,3,0,0,0,0|1,0,0]=4 39977 B12R0.234 COCCOCCOCCN(C)C 269982a_100102631434_100013367474 [0,3,0,0,0,0|1,0,0]=4 39978 B12R0.234 COCCOCCOCCN(C)C 269982a_200000716983_200000210301 [0,3,0,0,0,0|1,0,0]=4 39979 B12R0.234 COCCOCCOCCN(C)C 34a_200000716983_200000210301 [0,3,0,0,0,0|1,0,0]=4 39980 B12R0.234 COCCOCCOCCN(C)C 7a_100011215163_100000755713 [0,3,0,0,0,0|1,0,0]=4 39981 B12R0.234 COCCOCCOCCN(C)[13CH3] 2230a_200000716983_200025704644 [0,3,0,0,0,0|1,0,0]=4 39982 B12R0.234 COCCOCCOCCN(C)[13CH3] 269982a_200000716983_200025704644 [0,3,0,0,0,0|1,0,0]=4 39983 B12R0.234 COCCOCCOCCN(C)[13CH3] 34a_200000716983_200025704644 [0,3,0,0,0,0|1,0,0]=4 39984 B12R0.234 COCCOCCOCC[C@@H](C)N 34a_100000706166_100000695917 [0,3,0,0,0,0|0,0,0]=3 39985 B12R0.234 COCCOCCOCOC(C)C 34a_100011215163_100000709892 [0,3,0,0,0,0|1,0,0]=4 39986 B12R0.234 COCCOCCSCCC(=O)C 62a_100000053229_100000695917 [0,3,0,0,0,0|1,0,0]=4 39987 B12R0.234 COCCOCCSCCC(=O)C 62a_100000695917_100000053229 [0,3,0,0,0,0|1,0,0]=4 39988 B12R0.234 COCCOCCSCCC(C)C 62a_100000210312_100000695917 [0,3,0,0,0,0|0,1,0]=4 39989 B12R0.234 COCCOCCSCCC(C)C 62a_100000695917_100000210312 [0,3,0,0,0,0|0,1,0]=4 39990 B12R0.234 COCCOCCSCCC(C)O 62a_100000695917_100012276601 [0,3,0,0,0,0|0,1,0]=4 39991 B12R0.234 COCCOCCSCCC(C)O 62a_100012276601_100000695917 [0,3,0,0,0,0|0,1,0]=4 39992 B12R0.234 COCCOCCSCCN(C)C 62a_100000695917_100000755713 [0,3,0,0,0,0|1,0,0]=4 39993 B12R0.234 COCCOCCSCOC(C)C 62a_100000695917_100000709892 [0,3,0,0,0,0|1,0,0]=4 39994 B12R0.234 COCCOCCSCOC(C)C 62a_100000709892_100000695917 [0,3,0,0,0,0|1,0,0]=4 39995 B12R0.234 COCCOCNCCCC(C)C 2230a_200000737386_100000231047 [0,3,0,0,0,0|1,0,0]=4 39996 B12R0.234 COCCOCNCCCS(=O)C 2230a_200000753449_100000231047 [0,3,0,0,0,0|1,0,0]=4 39997 B12R0.234 COCCOCNCCOC(C)C 2230a_100000701111_100000231047 [0,3,0,0,0,0|1,0,0]=4 39998 B12R0.234 COCCOCNCCSC(C)C 2230a_100000731138_100000231047 [0,3,0,0,0,0|1,0,0]=4 39999 B12R0.234 COCCOCSCCCC(=O)C 62a_100000231047_100011215641 [0,3,0,0,0,0|1,0,0]=4 40000 B12R0.234 COCCOCSCCCC(=O)C 62a_100011215641_100000231047 [0,3,0,0,0,0|1,0,0]=4 40001 B12R0.234 COCCOCSCCCC(C)C 62a_100000231047_100011214892 [0,3,0,0,0,0|0,1,0]=4 40002 B12R0.234 COCCOCSCCCC(C)C 62a_100011214892_100000231047 [0,3,0,0,0,0|0,1,0]=4 40003 B12R0.234 COCCOCSCCCC(C)O 62a_100000231047_200000718107 [0,3,0,0,0,0|0,1,0]=4 40004 B12R0.234 COCCOCSCCCC(C)O 62a_200000718107_100000231047 [0,3,0,0,0,0|0,1,0]=4 40005 B12R0.234 COCCOCSCCCN(C)C 62a_100000231047_100000757444 [0,3,0,0,0,0|1,0,0]=4 40006 B12R0.234 COCCOCSCCOC(C)C 62a_100000211751_100000231047 [0,3,0,0,0,0|1,0,0]=4 40007 B12R0.234 COCCOCSCCOC(C)C 62a_100000231047_100000211751 [0,3,0,0,0,0|1,0,0]=4 40008 B12R0.234 COCCOCSCCSC(C)C 62a_100000231047_100000730970 [0,3,0,0,0,0|1,0,0]=4 40009 B12R0.234 COCCOCSCCSC(C)C 62a_100000730970_100000231047 [0,3,0,0,0,0|1,0,0]=4 40010 B12R0.234 COCCSCCCCCC(C)C 62a_100000210682_100000233755 [0,3,0,0,0,0|1,0,0]=4 40011 B12R0.234 COCCSCCCCCC(C)C 62a_100000233755_100000210682 [0,3,0,0,0,0|1,0,0]=4 40012 B12R0.234 COCNCCCCCCC(C)C 2230a_100000211014_100000766300 [0,3,0,0,0,0|1,0,0]=4 40013 B12R0.234 CS(=O)CCCNCCCCCF 2230a_200000753449_100000729378 [0,3,0,0,0,0|1,0,0]=4 40014 B12R0.234 CS(=O)CCCNCCCCCO 2230a_200000753449_100000746330 [0,3,0,0,0,0|1,0,0]=4 40015 B12R0.234 CSCCCCOCCC=C(C)C 34a_100011217163_100011217483 [0,3,0,0,0,0|0,0,1]=4 40016 B12R0.234 CSCCCCOCCC=C(C)C 7a_100011217163_100011217483 [0,3,0,0,0,0|0,0,1]=4 40017 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [0,3,0,0,0,0|0,0,0]=3 40018 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [0,3,0,0,0,0|0,0,0]=3 40019 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [0,3,0,0,0,0|0,0,1]=4 40020 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [0,3,0,0,0,0|0,0,1]=4 40021 B12R0.234 CSCCCCOCCCC(C)C 34a_100011217163_100011214892 [0,3,0,0,0,0|0,0,0]=3 40022 B12R0.234 CSCCCCOCCCC(C)C 7a_100011217163_100011214892 [0,3,0,0,0,0|0,0,0]=3 40023 B12R0.234 CSCCCCOCCCC(C)O 34a_100011217163_200000718107 [0,3,0,0,0,0|0,0,0]=3 40024 B12R0.234 CSCCCCOCCCC(C)O 7a_100011217163_200000718107 [0,3,0,0,0,0|0,0,0]=3 40025 B12R0.234 CSCCCCOCCCN(C)C 7a_100011217163_100000757444 [0,3,0,0,0,0|0,0,0]=3 40026 B12R0.234 CSCCCCOCCNC(=O)C 7a_100011217163_100000189650 [0,3,0,0,0,0|0,0,1]=4 40027 B12R0.234 CSCCCCOCCOC(=O)C 34a_100011217163_100009814007 [0,3,0,0,0,0|0,0,1]=4 40028 B12R0.234 CSCCCCOCCOC(=O)C 7a_100011217163_100009814007 [0,3,0,0,0,0|0,0,1]=4 40029 B12R0.234 CSCCCCOCCOC(C)C 34a_100011217163_100000211751 [0,3,0,0,0,0|0,0,0]=3 40030 B12R0.234 CSCCCCOCCOC(C)C 7a_100011217163_100000211751 [0,3,0,0,0,0|0,0,0]=3 40031 B12R0.234 CSCCCCOCCSC(C)C 34a_100011217163_100000730970 [0,3,0,0,0,0|0,0,0]=3 40032 B12R0.234 CSCCCCOCCSC(C)C 7a_100011217163_100000730970 [0,3,0,0,0,0|0,0,0]=3 40033 B12R0.234 CSCCCNCCCCC(C)C 2230a_100000749238_100011216152 [0,3,0,0,0,0|1,0,0]=4 40034 B12R0.234 CSCCCOCCCCB(O)O 34a_100000690336_200009817182 [0,3,0,0,0,0|1,0,0]=4 40035 B12R0.234 CSCCCOCCCCB(O)O 7a_100000690336_200009817182 [0,3,0,0,0,0|1,0,0]=4 40036 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [0,3,0,0,0,0|0,0,0]=3 40037 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [0,3,0,0,0,0|0,0,0]=3 40038 B12R0.234 CSCCCOCCCCC(C)C 34a_100000690336_100011216152 [0,3,0,0,0,0|0,0,0]=3 40039 B12R0.234 CSCCCOCCCCC(C)C 7a_100000690336_100011216152 [0,3,0,0,0,0|0,0,0]=3 40040 B12R0.234 CSCCCOCCCOC(=O)C 34a_100000690336_100000042594 [0,3,0,0,0,0|0,0,1]=4 40041 B12R0.234 CSCCCOCCCOC(=O)C 7a_100000690336_100000042594 [0,3,0,0,0,0|0,0,1]=4 40042 B12R0.234 CSCCCOCCCOC(=S)C 34a_100000690336_200135323944 [0,3,0,0,0,0|0,0,1]=4 40043 B12R0.234 CSCCCOCCCOC(=S)C 7a_100000690336_200135323944 [0,3,0,0,0,0|0,0,1]=4 40044 B12R0.234 CSCCCOCCCSC(=O)C 34a_100000690336_100000038929 [0,3,0,0,0,0|0,0,1]=4 40045 B12R0.234 CSCCCOCCCSC(=O)C 7a_100000690336_100000038929 [0,3,0,0,0,0|0,0,1]=4 40046 B12R0.234 CSCCCOCCOCC(F)F 34a_100000690336_200012177212 [0,3,0,0,0,0|1,0,0]=4 40047 B12R0.234 CSCCCOCCOCC(F)F 7a_100000690336_200012177212 [0,3,0,0,0,0|1,0,0]=4 40048 B12R0.234 CSCCNCCCCCC(C)C 2230a_100011290863_100000751147 [0,3,0,0,0,0|1,0,0]=4 40049 B12R0.234 CSCCNCCCCCC(C)C 2230a_100020590264_100000210682 [0,3,0,0,0,0|1,0,0]=4 40050 B12R0.234 CSCCNCCCCCC(C)C 34a_100011290863_100000212216 [0,3,0,0,0,0|1,0,0]=4 40051 B12R0.234 CSCCOCCCCCB(O)O 34a_100000230434_200009817188 [0,3,0,0,0,0|1,0,0]=4 40052 B12R0.234 CSCCOCCCCCB(O)O 7a_100000230434_200009817188 [0,3,0,0,0,0|1,0,0]=4 40053 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000123541_100000212216 [0,3,0,0,0,0|1,0,0]=4 40054 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000230434_100009817443 [0,3,0,0,0,0|1,0,0]=4 40055 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000123541_100000212216 [0,3,0,0,0,0|1,0,0]=4 40056 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000230434_100009817443 [0,3,0,0,0,0|1,0,0]=4 40057 B12R0.234 CSCCOCCCCCC(=O)[O-] 7a_100102619762_100000212216 [0,3,0,0,0,0|1,0,0]=4 40058 B12R0.234 CSCCOCCCCCC(C)C 34a_100000230434_100000210682 [0,3,0,0,0,0|1,0,0]=4 40059 B12R0.234 CSCCOCCCCCC(C)C 34a_100011995859_100000212216 [0,3,0,0,0,0|1,0,0]=4 40060 B12R0.234 CSCCOCCCCCC(C)C 7a_100000230434_100000210682 [0,3,0,0,0,0|1,0,0]=4 40061 B12R0.234 CSCCOCCCCCC(C)C 7a_100011995859_100000212216 [0,3,0,0,0,0|1,0,0]=4 40062 B12R0.234 CSCCOCCCCNC(C)C 34a_100011521146_100000212216 [0,3,0,0,0,0|1,0,0]=4 40063 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000073216_100000212216 [0,3,0,0,0,0|1,0,0]=4 40064 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000230434_100000033659 [0,3,0,0,0,0|1,0,0]=4 40065 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000073216_100000212216 [0,3,0,0,0,0|1,0,0]=4 40066 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000230434_100000033659 [0,3,0,0,0,0|1,0,0]=4 40067 B12R0.234 CSCCOCCCCSC(=O)C 34a_100000230434_200010402107 [0,3,0,0,0,0|1,0,0]=4 40068 B12R0.234 CSCCOCCCCSC(=O)C 7a_100000230434_200010402107 [0,3,0,0,0,0|1,0,0]=4 40069 B12R0.234 CSCCSCCCCCC(C)C 62a_100000210682_100000751147 [0,3,0,0,0,0|1,0,0]=4 40070 B12R0.234 CSCCSCCCCCC(C)C 62a_100000212216_100000210682 [0,3,0,0,0,0|1,0,0]=4 40071 B12R0.234 CSCNCCCCCCC(C)C 2230a_100000211014_100011218213 [0,3,0,0,0,0|1,0,0]=4 40072 B12R0.234 CSCNCCCCCCC(C)C 34a_100000211014_100011218213 [0,3,0,0,0,0|1,0,0]=4 40073 B12R0.234 C[C@@H](Cl)COCCCCCCCO 34a_100016084084_100000760002 [0,3,0,0,0,0|1,0,0]=4 40074 B12R0.234 C[C@@H](N)CCOCCCCCCF 34a_100000706166_100015922095 [0,3,0,0,0,0|0,0,0]=3 40075 B12R0.234 C[C@@H](N)CCOCCCCCCO 34a_100000706166_100000766143 [0,3,0,0,0,0|0,0,0]=3 40076 B12R0.234 C[C@@H](N)COCCCCCCCO 34a_100000737577_100000760002 [0,3,0,0,0,0|1,0,0]=4 40077 B12R0.234 C[C@@H](O)CNCCCCCCCO 2230a_100011996573_100009817552 [0,3,0,0,0,0|1,0,0]=4 40078 B12R0.234 C[C@@H](O)CNCCCCCCCO 34a_100011996573_100009817552 [0,3,0,0,0,0|1,0,0]=4 40079 B12R0.234 C[C@@H](O)CNCCCOCCCO 2230a_100011310245_100009817552 [0,3,0,0,0,0|1,0,0]=4 40080 B12R0.234 C[C@@H](O)CNCCCOCCCO 34a_100011310245_100009817552 [0,3,0,0,0,0|1,0,0]=4 40081 B12R0.234 C[C@@H](O)COCCCCCCCBr 34a_100000760002_100009817552 [0,3,0,0,0,0|1,0,0]=4 40082 B12R0.234 C[C@@H](O)COCCCCCCCBr 7a_100000760002_100009817552 [0,3,0,0,0,0|1,0,0]=4 40083 B12R0.234 C[C@@H](O)COCCCCCCCN 34a_100011996573_100009817552 [0,3,0,0,0,0|1,0,0]=4 40084 B12R0.234 C[C@@H](O)COCCCOCCCN 34a_100011310245_100009817552 [0,3,0,0,0,0|1,0,0]=4 40085 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100000760002_100009817552 [0,3,0,0,0,0|1,0,0]=4 40086 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100009817552_100000760002 [0,3,0,0,0,0|1,0,0]=4 40087 B12R0.234 FC(F)COCCOCCCCBr 34a_100011216708_200012177212 [0,3,0,0,0,0|1,0,0]=4 40088 B12R0.234 FC(F)COCCOCCCCCl 34a_100000210776_200012177212 [0,3,0,0,0,0|1,0,0]=4 40089 B12R0.234 FC(F)COCCOCCCCCl 7a_100000210776_200012177212 [0,3,0,0,0,0|1,0,0]=4 40090 B12R0.234 FC(F)COCCOCCCCI 34a_200012148704_200012177212 [0,3,0,0,0,0|1,0,0]=4 40091 B12R0.234 FCCCCCCOCCC(F)F 34a_100103093639_100015922095 [0,3,0,0,0,0|1,0,0]=4 40092 B12R0.234 FCCCCOCCOCC(F)F 34a_100000704375_100000729493 [0,3,0,0,0,0|1,0,0]=4 40093 B12R0.234 FCCCCOCCOCC(F)F 34a_100011995726_200012177212 [0,3,0,0,0,0|1,0,0]=4 40094 B12R0.234 FCCCCOCCOCC(F)F 7a_100000704375_100000729493 [0,3,0,0,0,0|1,0,0]=4 40095 B12R0.234 FCCCCOCCOCC(F)F 7a_100011995726_200012177212 [0,3,0,0,0,0|1,0,0]=4 40096 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [0,3,0,0,0,0|1,0,0]=4 40097 B12R0.234 NC(=O)CCCCCOCCCCl 34a_100000230001_100009817443 [0,3,0,0,0,0|1,0,0]=4 40098 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000123541_100011934791 [0,3,0,0,0,0|1,0,0]=4 40099 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000759539_100009817443 [0,3,0,0,0,0|1,0,0]=4 40100 B12R0.234 NC(=O)CCCCCOCCCF 7a_100000123541_100011934791 [0,3,0,0,0,0|1,0,0]=4 40101 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [0,3,0,0,0,0|1,0,0]=4 40102 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [0,3,0,0,0,0|1,0,0]=4 40103 B12R0.234 NC(=O)CCCCOCCCCF 34a_100012022536_100000729493 [0,3,0,0,0,0|0,0,1]=4 40104 B12R0.234 NC(=O)CCCCOCCCCF 7a_100012022536_100000729493 [0,3,0,0,0,0|0,0,1]=4 40105 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [0,3,0,0,0,0|0,0,1]=4 40106 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [0,3,0,0,0,0|0,0,1]=4 40107 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [0,3,0,0,0,0|0,0,1]=4 40108 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [0,3,0,0,0,0|0,0,1]=4 40109 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [0,3,0,0,0,0|0,0,1]=4 40110 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [0,3,0,0,0,0|0,0,1]=4 40111 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [0,3,0,0,0,0|0,0,1]=4 40112 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [0,3,0,0,0,0|0,0,1]=4 40113 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [0,3,0,0,0,0|0,0,1]=4 40114 B12R0.234 NCCCCOCCCCB(O)O 34a_100000750430_200009817182 [0,3,0,0,0,0|1,0,0]=4 40115 B12R0.234 NCCCCOCCOCC(F)F 34a_100000750430_200012177212 [0,3,0,0,0,0|1,0,0]=4 40116 B12R0.234 NCCCOCCCCCB(O)O 34a_100000182051_200009817188 [0,3,0,0,0,0|1,0,0]=4 40117 B12R0.234 NCCCOCCCCCC(=O)N 34a_100000182051_100009817443 [0,3,0,0,0,0|1,0,0]=4 40118 B12R0.234 NCCCOCCCOCC(F)F 34a_100011310245_100011934356 [0,3,0,0,0,0|1,0,0]=4 40119 B12R0.234 O=C([O-])CCCCCOCCCF 7a_100102619762_100011934791 [0,3,0,0,0,0|1,0,0]=4 40120 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [0,3,0,0,0,0|1,0,0]=4 40121 B12R0.234 O=[N+]([O-])CCCCOCCCCF 34a_200015379883_100000729493 [0,3,0,0,0,0|1,0,0]=4 40122 B12R0.234 O=[N+]([O-])CCCCOCCCCF 7a_200015379883_100000729493 [0,3,0,0,0,0|1,0,0]=4 40123 B12R0.234 O=[N+]([O-])CCCCOCCCCO 34a_200015379883_100011216708 [0,3,0,0,0,0|1,0,0]=4 40124 B12R0.234 O=[N+]([O-])CCCCOCCCCO 7a_200015379883_100000210776 [0,3,0,0,0,0|1,0,0]=4 40125 B12R0.234 O=[N+]([O-])CCCOCCCCCF 34a_200000037920_100000729378 [0,3,0,0,0,0|1,0,0]=4 40126 B12R0.234 O=[N+]([O-])CCCOCCCCCO 34a_200000037920_100000746330 [0,3,0,0,0,0|1,0,0]=4 40127 B12R0.234 OB(O)CCCCCOCCCBr 34a_100011217188_200009817188 [0,3,0,0,0,0|1,0,0]=4 40128 B12R0.234 OB(O)CCCCCOCCCCl 34a_100000230001_200009817188 [0,3,0,0,0,0|1,0,0]=4 40129 B12R0.234 OB(O)CCCCCOCCCF 34a_100000759539_200009817188 [0,3,0,0,0,0|1,0,0]=4 40130 B12R0.234 OB(O)CCCCOCCCCBr 34a_100011216708_200009817182 [0,3,0,0,0,0|1,0,0]=4 40131 B12R0.234 OB(O)CCCCOCCCCCl 34a_100000210776_200009817182 [0,3,0,0,0,0|1,0,0]=4 40132 B12R0.234 OB(O)CCCCOCCCCCl 7a_100000210776_200009817182 [0,3,0,0,0,0|1,0,0]=4 40133 B12R0.234 OB(O)CCCCOCCCCF 34a_100011995726_200009817182 [0,3,0,0,0,0|1,0,0]=4 40134 B12R0.234 OB(O)CCCCOCCCCF 7a_100011995726_200009817182 [0,3,0,0,0,0|1,0,0]=4 40135 B12R0.234 OB(O)CCCCOCCCCI 34a_200012148704_200009817182 [0,3,0,0,0,0|1,0,0]=4 40136 B12R0.234 OCCCCCCOCCC(F)F 34a_100103093639_100000766143 [0,3,0,0,0,0|1,0,0]=4 40137 B12R0.234 OCCCCOCCOCC(F)F 34a_100000704375_100011216708 [0,3,0,0,0,0|1,0,0]=4 40138 B12R0.234 OCCCCOCCOCC(F)F 7a_100000704375_100000210776 [0,3,0,0,0,0|1,0,0]=4 40139 B12R0.234 OCCCOCCCNCC(F)F 2230a_100011310245_100011934356 [0,3,0,0,0,0|1,0,0]=4 40140 B12R0.234 OCCCOCCCNCC(F)F 34a_100011310245_100011934356 [0,3,0,0,0,0|1,0,0]=4 40141 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,3,0,0,0,0|1,0,0]=4 40142 B12R0.268 C=C(C)CCOCCCCC(=O)C 34a_100000764851_100009817362 [0,3,0,0,0,0|0,0,1]=4 40143 B12R0.268 C=C(C)CCOCCCCC(C)C 34a_100000764851_100011216152 [0,3,0,0,0,0|0,0,1]=4 40144 B12R0.268 C=C(C)CCOCCCCC(C)C 34a_100011214890_100000730704 [0,3,0,0,0,0|0,0,1]=4 40145 B12R0.268 C=C(C)CCOCCCCC(C)C 7a_100011214890_100000730704 [0,3,0,0,0,0|0,0,1]=4 40146 B12R0.268 C=C(C)CCOCCCNC(C)C 34a_100000182298_100000730704 [0,3,0,0,0,0|0,0,1]=4 40147 B12R0.268 C=C(C)CCOCCNCC(C)C 34a_100015185251_100000730704 [0,3,0,0,0,0|0,0,1]=4 40148 B12R0.268 C=C(C)CCOCCOCC(C)C 34a_100000703358_100000730704 [0,3,0,0,0,0|0,0,1]=4 40149 B12R0.268 C=C(C)CCOCCOCC(C)C 7a_100000703358_100000730704 [0,3,0,0,0,0|0,0,1]=4 40150 B12R0.268 C=C(C)CCOCCSCC(C)C 34a_200000230437_100000730704 [0,3,0,0,0,0|0,0,1]=4 40151 B12R0.268 C=C(C)CCOCCSCC(C)C 7a_200000230437_100000730704 [0,3,0,0,0,0|0,0,1]=4 40152 B12R0.268 CC(=CCCOCCCC(C)C)C 34a_100000210774_100011217483 [0,3,0,0,0,0|0,0,1]=4 40153 B12R0.268 CC(=CCCOCCCC(C)C)C 7a_100000210774_100011217483 [0,3,0,0,0,0|0,0,1]=4 40154 B12R0.268 CC(=O)CCCCOCCC(=O)C 34a_100000759926_100009817362 [0,3,0,0,0,0|0,0,1]=4 40155 B12R0.268 CC(=O)CCCCOCCC(=O)C 7a_100000759926_100000735457 [0,3,0,0,0,0|0,0,1]=4 40156 B12R0.268 CC(=O)CCCCOCCC(C)Br 34a_100009893172_100009817362 [0,3,0,0,0,0|0,0,0]=3 40157 B12R0.268 CC(=O)CCCCOCCC(C)C 34a_100000210254_100009817362 [0,3,0,0,0,0|0,0,0]=3 40158 B12R0.268 CC(=O)CCCCOCCC(C)C 7a_100000210254_100000735457 [0,3,0,0,0,0|0,0,0]=3 40159 B12R0.268 CC(=O)CCCCOCCC(F)F 34a_100103093639_100009817362 [0,3,0,0,0,0|1,0,0]=4 40160 B12R0.268 CC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100009817362 [0,3,0,0,0,0|0,0,0]=3 40161 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000210312_100000735457 [0,3,0,0,0,0|0,1,0]=4 40162 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000735457_100000210312 [0,3,0,0,0,0|0,1,0]=4 40163 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100000735457_100012276601 [0,3,0,0,0,0|0,1,0]=4 40164 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100012276601_100000735457 [0,3,0,0,0,0|0,1,0]=4 40165 B12R0.268 CC(=O)CCCNCCCC(C)C 34a_200000737386_100000685027 [0,3,0,0,0,0|1,0,0]=4 40166 B12R0.268 CC(=O)CCCOCCCC(=O)C 34a_100000759063_100000685027 [0,3,0,0,0,0|0,0,1]=4 40167 B12R0.268 CC(=O)CCCOCCCC(=O)C 7a_100000759063_100011215641 [0,3,0,0,0,0|0,0,1]=4 40168 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000210774_100000685027 [0,3,0,0,0,0|0,0,0]=3 40169 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000759063_100011214892 [0,3,0,0,0,0|0,0,0]=3 40170 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000210774_100011215641 [0,3,0,0,0,0|0,0,0]=3 40171 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000759063_100011214892 [0,3,0,0,0,0|0,0,0]=3 40172 B12R0.268 CC(=O)CCCOCCCC(C)O 34a_100000759063_200000718107 [0,3,0,0,0,0|0,0,0]=3 40173 B12R0.268 CC(=O)CCCOCCCC(C)O 7a_100000759063_200000718107 [0,3,0,0,0,0|0,0,0]=3 40174 B12R0.268 CC(=O)CCCOCCCN(C)C 7a_100000759063_100000757444 [0,3,0,0,0,0|0,0,1]=4 40175 B12R0.268 CC(=O)CCCOCCNC(C)C 34a_100000224655_100000685027 [0,3,0,0,0,0|0,0,1]=4 40176 B12R0.268 CC(=O)CCCOCCOC(C)C 34a_100000211219_100000685027 [0,3,0,0,0,0|0,0,1]=4 40177 B12R0.268 CC(=O)CCCOCCOC(C)C 34a_100000759063_100000211751 [0,3,0,0,0,0|0,0,1]=4 40178 B12R0.268 CC(=O)CCCOCCOC(C)C 7a_100000211219_100011215641 [0,3,0,0,0,0|0,0,1]=4 40179 B12R0.268 CC(=O)CCCOCCOC(C)C 7a_100000759063_100000211751 [0,3,0,0,0,0|0,0,1]=4 40180 B12R0.268 CC(=O)CCCOCCSC(C)C 34a_100000759063_100000730970 [0,3,0,0,0,0|0,0,1]=4 40181 B12R0.268 CC(=O)CCCOCCSC(C)C 34a_200011212901_100000685027 [0,3,0,0,0,0|0,0,1]=4 40182 B12R0.268 CC(=O)CCCOCCSC(C)C 7a_100000759063_100000730970 [0,3,0,0,0,0|0,0,1]=4 40183 B12R0.268 CC(=O)CCCOCCSC(C)C 7a_200011212901_100011215641 [0,3,0,0,0,0|0,0,1]=4 40184 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011214892_100011215641 [0,3,0,0,0,0|0,1,0]=4 40185 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011215641_100011214892 [0,3,0,0,0,0|0,1,0]=4 40186 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_100011215641_200000718107 [0,3,0,0,0,0|0,1,0]=4 40187 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_200000718107_100011215641 [0,3,0,0,0,0|0,1,0]=4 40188 B12R0.268 CC(=O)CCOCCCCC(C)C 34a_100000759926_100011216152 [0,3,0,0,0,0|0,0,1]=4 40189 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100000759926_100011216152 [0,3,0,0,0,0|0,0,1]=4 40190 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100011214890_100000053229 [0,3,0,0,0,0|0,0,1]=4 40191 B12R0.268 CC(=O)CCOCCOCC(C)C 7a_100000703358_100000053229 [0,3,0,0,0,0|0,0,1]=4 40192 B12R0.268 CC(=O)CCOCCSCC(C)C 7a_200000230437_100000053229 [0,3,0,0,0,0|0,0,1]=4 40193 B12R0.268 CC(=O)NCCCOCCC(C)C 34a_100000752032_100000210312 [0,3,0,0,0,0|0,0,1]=4 40194 B12R0.268 CC(=O)NCCCOCCC(C)O 34a_100000752032_100012276601 [0,3,0,0,0,0|0,0,1]=4 40195 B12R0.268 CC(=O)NCCOCCCC(C)C 34a_100000158858_100011214892 [0,3,0,0,0,0|0,0,1]=4 40196 B12R0.268 CC(=O)NCCOCCCC(C)C 7a_100000210774_100000189650 [0,3,0,0,0,0|0,0,1]=4 40197 B12R0.268 CC(=O)NCCOCCCC(C)O 34a_100000158858_200000718107 [0,3,0,0,0,0|0,0,1]=4 40198 B12R0.268 CC(=O)OCCCOCCC(C)Br 34a_100009893172_100000042594 [0,3,0,0,0,0|0,0,1]=4 40199 B12R0.268 CC(=O)OCCCOCCC(C)C 34a_100000210254_100000042594 [0,3,0,0,0,0|0,0,1]=4 40200 B12R0.268 CC(=O)OCCCOCCC(C)C 7a_100000210254_100000042594 [0,3,0,0,0,0|0,0,1]=4 40201 B12R0.268 CC(=O)OCCCOCC[C@@H](C)N 34a_100000706166_100000042594 [0,3,0,0,0,0|0,0,1]=4 40202 B12R0.268 CC(=O)OCCOCCCC(C)C 34a_100000210774_100009814007 [0,3,0,0,0,0|0,0,1]=4 40203 B12R0.268 CC(=O)OCCOCCCC(C)C 7a_100000210774_100009814007 [0,3,0,0,0,0|0,0,1]=4 40204 B12R0.268 CC(=O)SCCCOCCC(C)Br 34a_100009893172_100000038929 [0,3,0,0,0,0|0,0,1]=4 40205 B12R0.268 CC(=O)SCCCOCCC(C)C 34a_100000210254_100000038929 [0,3,0,0,0,0|0,0,1]=4 40206 B12R0.268 CC(=O)SCCCOCCC(C)C 7a_100000210254_100000038929 [0,3,0,0,0,0|0,0,1]=4 40207 B12R0.268 CC(=O)SCCCOCC[C@@H](C)N 34a_100000706166_100000038929 [0,3,0,0,0,0|0,0,1]=4 40208 B12R0.268 CC(=S)OCCCOCCC(C)Br 34a_100009893172_200135323944 [0,3,0,0,0,0|0,0,1]=4 40209 B12R0.268 CC(=S)OCCCOCCC(C)C 34a_100000210254_200135323944 [0,3,0,0,0,0|0,0,1]=4 40210 B12R0.268 CC(=S)OCCCOCCC(C)C 7a_100000210254_200135323944 [0,3,0,0,0,0|0,0,1]=4 40211 B12R0.268 CC(=S)OCCCOCC[C@@H](C)N 34a_100000706166_200135323944 [0,3,0,0,0,0|0,0,1]=4 40212 B12R0.268 CC(Br)CCOCCCCB(O)O 34a_100009893172_200009817182 [0,3,0,0,0,0|1,0,0]=4 40213 B12R0.268 CC(Br)CCOCCOCC(F)F 34a_100009893172_200012177212 [0,3,0,0,0,0|1,0,0]=4 40214 B12R0.268 CC(C)CCCCCCNC(C)C 2230a_100000211014_100000210206 [0,3,0,0,0,0|1,0,0]=4 40215 B12R0.268 CC(C)CCCCCCNC(C)C 34a_100000211014_100000210206 [0,3,0,0,0,0|1,0,0]=4 40216 B12R0.268 CC(C)CCCCCNCC(C)C 2230a_100000210953_100000210682 [0,3,0,0,0,0|1,0,0]=4 40217 B12R0.268 CC(C)CCCCCNCC(C)C 2230a_100011290863_100000210760 [0,3,0,0,0,0|1,0,0]=4 40218 B12R0.268 CC(C)CCCCCNCC(C)C 270004a_100011290863_100000210432 [0,3,0,0,0,0|1,0,0]=4 40219 B12R0.268 CC(C)CCCCCNCC(C)C 34a_100000210953_100000210682 [0,3,0,0,0,0|1,0,0]=4 40220 B12R0.268 CC(C)CCCCCNCC(C)C 34a_100011290863_100000210624 [0,3,0,0,0,0|1,0,0]=4 40221 B12R0.268 CC(C)CCCCCNCC(C)O 2230a_100000210904_100000210682 [0,3,0,0,0,0|1,0,0]=4 40222 B12R0.268 CC(C)CCCCCNCC(C)O 2230a_100011290863_100011218427 [0,3,0,0,0,0|1,0,0]=4 40223 B12R0.268 CC(C)CCCCCNCC(C)O 34a_100000210904_100000210682 [0,3,0,0,0,0|1,0,0]=4 40224 B12R0.268 CC(C)CCCCCNCC(C)O 34a_100011290863_100011218427 [0,3,0,0,0,0|1,0,0]=4 40225 B12R0.268 CC(C)CCCCCNC[C@@H](C)O 2230a_100011290863_100009817552 [0,3,0,0,0,0|1,0,0]=4 40226 B12R0.268 CC(C)CCCCCNC[C@@H](C)O 34a_100011290863_100009817552 [0,3,0,0,0,0|1,0,0]=4 40227 B12R0.268 CC(C)CCCCCOCC(C)Br 34a_100012180447_100000210682 [0,3,0,0,0,0|1,0,0]=4 40228 B12R0.268 CC(C)CCCCCOCC(C)C 34a_100000210257_100000210682 [0,3,0,0,0,0|1,0,0]=4 40229 B12R0.268 CC(C)CCCCCOCC(C)C 34a_100011995859_100000210624 [0,3,0,0,0,0|1,0,0]=4 40230 B12R0.268 CC(C)CCCCCOCC(C)C 7a_100011995859_100000210760 [0,3,0,0,0,0|1,0,0]=4 40231 B12R0.268 CC(C)CCCCCOCC(C)F 34a_100015925927_100000210682 [0,3,0,0,0,0|1,0,0]=4 40232 B12R0.268 CC(C)CCCCCOCC(C)O 34a_100011995859_100011218427 [0,3,0,0,0,0|1,0,0]=4 40233 B12R0.268 CC(C)CCCCCOCC(C)O 7a_100011995859_100011218427 [0,3,0,0,0,0|1,0,0]=4 40234 B12R0.268 CC(C)CCCCCOC[C@@H](C)Cl 34a_100016084084_100000210682 [0,3,0,0,0,0|1,0,0]=4 40235 B12R0.268 CC(C)CCCCCOC[C@@H](C)N 34a_100000737577_100000210682 [0,3,0,0,0,0|1,0,0]=4 40236 B12R0.268 CC(C)CCCCCOC[C@@H](C)O 34a_100011995859_100009817552 [0,3,0,0,0,0|1,0,0]=4 40237 B12R0.268 CC(C)CCCCCOC[C@@H](C)O 7a_100011995859_100009817552 [0,3,0,0,0,0|1,0,0]=4 40238 B12R0.268 CC(C)CCCCCSCC(C)C 62a_100000210624_100000210682 [0,3,0,0,0,0|1,0,0]=4 40239 B12R0.268 CC(C)CCCCCSCC(C)C 62a_100000210682_100000210760 [0,3,0,0,0,0|1,0,0]=4 40240 B12R0.268 CC(C)CCCCCSCC(C)O 62a_100000210682_100011218427 [0,3,0,0,0,0|1,0,0]=4 40241 B12R0.268 CC(C)CCCCCSCC(C)O 62a_100011218427_100000210682 [0,3,0,0,0,0|1,0,0]=4 40242 B12R0.268 CC(C)CCCCCSC[C@@H](C)O 62a_100000210682_100009817552 [0,3,0,0,0,0|1,0,0]=4 40243 B12R0.268 CC(C)CCCCCSC[C@@H](C)O 62a_100009817552_100000210682 [0,3,0,0,0,0|1,0,0]=4 40244 B12R0.268 CC(C)CCCCNCCC(C)O 2230a_200000755665_100011216152 [0,3,0,0,0,0|1,0,0]=4 40245 B12R0.268 CC(C)CCCCOCCC(C)Br 34a_100009893172_100011216152 [0,3,0,0,0,0|0,0,0]=3 40246 B12R0.268 CC(C)CCCCOCCC(C)C 34a_100000210254_100011216152 [0,3,0,0,0,0|0,0,0]=3 40247 B12R0.268 CC(C)CCCCOCCC(C)C 34a_100011214890_100000210312 [0,3,0,0,0,0|0,0,0]=3 40248 B12R0.268 CC(C)CCCCOCCC(C)C 7a_100000210254_100011216152 [0,3,0,0,0,0|0,0,0]=3 40249 B12R0.268 CC(C)CCCCOCCC(C)C 7a_100011214890_100000210626 [0,3,0,0,0,0|0,0,0]=3 40250 B12R0.268 CC(C)CCCCOCCC(C)O 34a_100011214890_100012276601 [0,3,0,0,0,0|0,0,0]=3 40251 B12R0.268 CC(C)CCCCOCCC(C)O 7a_100011214890_100012276601 [0,3,0,0,0,0|0,0,0]=3 40252 B12R0.268 CC(C)CCCCOCCC(F)F 34a_100103093639_100011216152 [0,3,0,0,0,0|1,0,0]=4 40253 B12R0.268 CC(C)CCCCOCCN(C)C 7a_100011214890_100000755713 [0,3,0,0,0,0|1,0,0]=4 40254 B12R0.268 CC(C)CCCCOCC[C@@H](C)N 34a_100000706166_100011216152 [0,3,0,0,0,0|0,0,0]=3 40255 B12R0.268 CC(C)CCCCOCOC(C)C 34a_100011214890_100000709892 [0,3,0,0,0,0|1,0,0]=4 40256 B12R0.268 CC(C)CCCCSCCC(C)C 62a_100000210312_100011216152 [0,3,0,0,0,0|0,1,0]=4 40257 B12R0.268 CC(C)CCCCSCCC(C)C 62a_100011216152_100000210312 [0,3,0,0,0,0|0,1,0]=4 40258 B12R0.268 CC(C)CCCCSCCC(C)O 62a_100011216152_100012276601 [0,3,0,0,0,0|0,1,0]=4 40259 B12R0.268 CC(C)CCCCSCCC(C)O 62a_100012276601_100011216152 [0,3,0,0,0,0|0,1,0]=4 40260 B12R0.268 CC(C)CCCNCCCC(C)C 2230a_200000737386_100011214892 [0,3,0,0,0,0|1,0,0]=4 40261 B12R0.268 CC(C)CCCNCCCC(C)C 34a_200000737386_100011214892 [0,3,0,0,0,0|1,0,0]=4 40262 B12R0.268 CC(C)CCCNCCCC(C)O 2230a_200000737386_200000718107 [0,3,0,0,0,0|1,0,0]=4 40263 B12R0.268 CC(C)CCCNCCCC(C)O 34a_200000737386_200000718107 [0,3,0,0,0,0|1,0,0]=4 40264 B12R0.268 CC(C)CCCNCCCS(=O)C 2230a_200000753449_100011214892 [0,3,0,0,0,0|1,0,0]=4 40265 B12R0.268 CC(C)CCCNCCOC(C)C 2230a_100000701111_100011214892 [0,3,0,0,0,0|1,0,0]=4 40266 B12R0.268 CC(C)CCCNCCOC(C)C 2230a_200000737386_100000211751 [0,3,0,0,0,0|1,0,0]=4 40267 B12R0.268 CC(C)CCCNCCOC(C)C 34a_100000701111_100011214892 [0,3,0,0,0,0|1,0,0]=4 40268 B12R0.268 CC(C)CCCNCCOC(C)C 34a_200000737386_100000211751 [0,3,0,0,0,0|1,0,0]=4 40269 B12R0.268 CC(C)CCCNCCSC(C)C 2230a_100000731138_100011214892 [0,3,0,0,0,0|1,0,0]=4 40270 B12R0.268 CC(C)CCCNCCSC(C)C 2230a_200000737386_100000730970 [0,3,0,0,0,0|1,0,0]=4 40271 B12R0.268 CC(C)CCCNCCSC(C)C 34a_100000731138_100011214892 [0,3,0,0,0,0|1,0,0]=4 40272 B12R0.268 CC(C)CCCNCCSC(C)C 34a_200000737386_100000730970 [0,3,0,0,0,0|1,0,0]=4 40273 B12R0.268 CC(C)CCCOCCCC(=O)N 34a_100000210774_100102525003 [0,3,0,0,0,0|0,0,1]=4 40274 B12R0.268 CC(C)CCCOCCCC(=O)N 7a_100000210774_100102525003 [0,3,0,0,0,0|0,0,1]=4 40275 B12R0.268 CC(C)CCCOCCCC(C)C 34a_100000210774_100011214892 [0,3,0,0,0,0|0,0,0]=3 40276 B12R0.268 CC(C)CCCOCCCC(C)C 7a_100000210774_100011214892 [0,3,0,0,0,0|0,0,0]=3 40277 B12R0.268 CC(C)CCCOCCCC(C)O 34a_100000210774_200000718107 [0,3,0,0,0,0|0,0,0]=3 40278 B12R0.268 CC(C)CCCOCCCC(C)O 7a_100000210774_200000718107 [0,3,0,0,0,0|0,0,0]=3 40279 B12R0.268 CC(C)CCCOCCCN(C)C 7a_100000210774_100000757444 [0,3,0,0,0,0|0,0,0]=3 40280 B12R0.268 CC(C)CCCOCCC[N+](=O)[O-] 34a_200000037920_100011214892 [0,3,0,0,0,0|1,0,0]=4 40281 B12R0.268 CC(C)CCCOCCNC(C)C 34a_100000224655_100011214892 [0,3,0,0,0,0|0,0,0]=3 40282 B12R0.268 CC(C)CCCOCCOC(C)C 34a_100000210774_100000211751 [0,3,0,0,0,0|0,0,0]=3 40283 B12R0.268 CC(C)CCCOCCOC(C)C 34a_100000211219_100011214892 [0,3,0,0,0,0|0,0,0]=3 40284 B12R0.268 CC(C)CCCOCCOC(C)C 7a_100000210774_100000211751 [0,3,0,0,0,0|0,0,0]=3 40285 B12R0.268 CC(C)CCCOCCOC(C)C 7a_100000211219_100011214892 [0,3,0,0,0,0|0,0,0]=3 40286 B12R0.268 CC(C)CCCOCCSC(C)C 34a_100000210774_100000730970 [0,3,0,0,0,0|0,0,0]=3 40287 B12R0.268 CC(C)CCCOCCSC(C)C 34a_200011212901_100011214892 [0,3,0,0,0,0|0,0,0]=3 40288 B12R0.268 CC(C)CCCOCCSC(C)C 7a_100000210774_100000730970 [0,3,0,0,0,0|0,0,0]=3 40289 B12R0.268 CC(C)CCCOCCSC(C)C 7a_200011212901_100011214892 [0,3,0,0,0,0|0,0,0]=3 40290 B12R0.268 CC(C)CCCSCCCC(C)C 62a_100011214892_100011214892 [0,3,0,0,0,0|0,1,0]=4 40291 B12R0.268 CC(C)CCCSCCCC(C)O 62a_100011214892_200000718107 [0,3,0,0,0,0|0,1,0]=4 40292 B12R0.268 CC(C)CCCSCCCC(C)O 62a_200000718107_100011214892 [0,3,0,0,0,0|0,1,0]=4 40293 B12R0.268 CC(C)CCCSCCCN(C)C 62a_100011214892_100000757444 [0,3,0,0,0,0|0,1,0]=4 40294 B12R0.268 CC(C)CCCSCCOC(C)C 62a_100000211751_100011214892 [0,3,0,0,0,0|0,1,0]=4 40295 B12R0.268 CC(C)CCCSCCOC(C)C 62a_100011214892_100000211751 [0,3,0,0,0,0|0,1,0]=4 40296 B12R0.268 CC(C)CCCSCCSC(C)C 62a_100000730970_100011214892 [0,3,0,0,0,0|0,1,0]=4 40297 B12R0.268 CC(C)CCCSCCSC(C)C 62a_100011214892_100000730970 [0,3,0,0,0,0|0,1,0]=4 40298 B12R0.268 CC(C)CCNCCCCN(C)C 269862a_100025707445_100000185833 [0,3,0,0,0,0|1,0,0]=4 40299 B12R0.268 CC(C)CCNCCCOC(C)C 2230a_100000737246_100000210312 [0,3,0,0,0,0|1,0,0]=4 40300 B12R0.268 CC(C)CCNCCCOC(C)C 269862a_100000737246_100000185833 [0,3,0,0,0,0|1,0,0]=4 40301 B12R0.268 CC(C)CCNCCCOC(C)C 34a_100000737246_100000210312 [0,3,0,0,0,0|1,0,0]=4 40302 B12R0.268 CC(C)CCOCCCCB(O)O 34a_100000210254_200009817182 [0,3,0,0,0,0|1,0,0]=4 40303 B12R0.268 CC(C)CCOCCCCB(O)O 7a_100000210254_200009817182 [0,3,0,0,0,0|1,0,0]=4 40304 B12R0.268 CC(C)CCOCCCCC(=O)N 34a_100012022536_100000210312 [0,3,0,0,0,0|0,0,1]=4 40305 B12R0.268 CC(C)CCOCCCCC(=O)N 7a_100012022536_100000210626 [0,3,0,0,0,0|0,0,1]=4 40306 B12R0.268 CC(C)CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210312 [0,3,0,0,0,0|1,0,0]=4 40307 B12R0.268 CC(C)CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210626 [0,3,0,0,0,0|1,0,0]=4 40308 B12R0.268 CC(C)CCOCCCNC(C)C 34a_100000182298_100000210312 [0,3,0,0,0,0|0,0,0]=3 40309 B12R0.268 CC(C)CCOCCNCC(C)C 34a_100015185251_100000210312 [0,3,0,0,0,0|0,0,0]=3 40310 B12R0.268 CC(C)CCOCCOCC(C)C 34a_100000703358_100000210312 [0,3,0,0,0,0|0,0,0]=3 40311 B12R0.268 CC(C)CCOCCOCC(C)C 7a_100000703358_100000210626 [0,3,0,0,0,0|0,0,0]=3 40312 B12R0.268 CC(C)CCOCCOCC(F)F 34a_100000210254_200012177212 [0,3,0,0,0,0|1,0,0]=4 40313 B12R0.268 CC(C)CCOCCOCC(F)F 34a_100000704375_100000210312 [0,3,0,0,0,0|1,0,0]=4 40314 B12R0.268 CC(C)CCOCCOCC(F)F 7a_100000210254_200012177212 [0,3,0,0,0,0|1,0,0]=4 40315 B12R0.268 CC(C)CCOCCOCC(F)F 7a_100000704375_100000210626 [0,3,0,0,0,0|1,0,0]=4 40316 B12R0.268 CC(C)CCOCCSCC(C)C 34a_200000230437_100000210312 [0,3,0,0,0,0|0,0,0]=3 40317 B12R0.268 CC(C)CCOCCSCC(C)C 7a_200000230437_100000210626 [0,3,0,0,0,0|0,0,0]=3 40318 B12R0.268 CC(C)CCSCCCCN(C)C 62a_100000210312_100000690147 [0,3,0,0,0,0|0,1,0]=4 40319 B12R0.268 CC(C)CNCCOCCC(C)O 34a_100015185251_100012276601 [0,3,0,0,0,0|0,0,0]=3 40320 B12R0.268 CC(C)CNCCOCOC(C)C 34a_100015185251_100000709892 [0,3,0,0,0,0|1,0,0]=4 40321 B12R0.268 CC(C)COCCOCCC(C)O 34a_100000703358_100012276601 [0,3,0,0,0,0|0,0,0]=3 40322 B12R0.268 CC(C)COCCOCCC(C)O 7a_100000703358_100012276601 [0,3,0,0,0,0|0,0,0]=3 40323 B12R0.268 CC(C)COCCOCCN(C)C 7a_100000703358_100000755713 [0,3,0,0,0,0|1,0,0]=4 40324 B12R0.268 CC(C)COCCOCOC(C)C 34a_100000703358_100000709892 [0,3,0,0,0,0|1,0,0]=4 40325 B12R0.268 CC(C)CSCCOCCC(C)O 34a_200000230437_100012276601 [0,3,0,0,0,0|0,0,0]=3 40326 B12R0.268 CC(C)CSCCOCCC(C)O 7a_200000230437_100012276601 [0,3,0,0,0,0|0,0,0]=3 40327 B12R0.268 CC(C)CSCCOCCN(C)C 7a_200000230437_100000755713 [0,3,0,0,0,0|1,0,0]=4 40328 B12R0.268 CC(C)CSCCOCOC(C)C 34a_200000230437_100000709892 [0,3,0,0,0,0|1,0,0]=4 40329 B12R0.268 CC(C)NCCCOCOC(C)C 34a_100000182298_100000709892 [0,3,0,0,0,0|1,0,0]=4 40330 B12R0.268 CC(C)NCCOCCOC(C)C 34a_100000224655_100000211751 [0,3,0,0,0,0|1,0,0]=4 40331 B12R0.268 CC(C)NCCOCCSC(C)C 34a_100000224655_100000730970 [0,3,0,0,0,0|1,0,0]=4 40332 B12R0.268 CC(C)OCCOCCCN(C)C 7a_100000211219_100000757444 [0,3,0,0,0,0|1,0,0]=4 40333 B12R0.268 CC(C)OCCOCCOC(C)C 34a_100000211219_100000211751 [0,3,0,0,0,0|1,0,0]=4 40334 B12R0.268 CC(C)OCCOCCOC(C)C 7a_100000211219_100000211751 [0,3,0,0,0,0|1,0,0]=4 40335 B12R0.268 CC(C)OCCOCCSC(C)C 34a_100000211219_100000730970 [0,3,0,0,0,0|1,0,0]=4 40336 B12R0.268 CC(C)OCCOCCSC(C)C 34a_200011212901_100000211751 [0,3,0,0,0,0|1,0,0]=4 40337 B12R0.268 CC(C)OCCOCCSC(C)C 7a_100000211219_100000730970 [0,3,0,0,0,0|1,0,0]=4 40338 B12R0.268 CC(C)OCCOCCSC(C)C 7a_200011212901_100000211751 [0,3,0,0,0,0|1,0,0]=4 40339 B12R0.268 CC(C)SCCOCCCN(C)C 7a_200011212901_100000757444 [0,3,0,0,0,0|1,0,0]=4 40340 B12R0.268 CC(C)SCCOCCSC(C)C 34a_200011212901_100000730970 [0,3,0,0,0,0|1,0,0]=4 40341 B12R0.268 CC(C)SCCOCCSC(C)C 7a_200011212901_100000730970 [0,3,0,0,0,0|1,0,0]=4 40342 B12R0.268 CC(O)CCCNCCCS(=O)C 2230a_200000753449_200000718107 [0,3,0,0,0,0|1,0,0]=4 40343 B12R0.268 CC(O)CCCNCCOC(C)C 2230a_100000701111_200000718107 [0,3,0,0,0,0|1,0,0]=4 40344 B12R0.268 CC(O)CCCNCCOC(C)C 34a_100000701111_200000718107 [0,3,0,0,0,0|1,0,0]=4 40345 B12R0.268 CC(O)CCCNCCSC(C)C 2230a_100000731138_200000718107 [0,3,0,0,0,0|1,0,0]=4 40346 B12R0.268 CC(O)CCCNCCSC(C)C 34a_100000731138_200000718107 [0,3,0,0,0,0|1,0,0]=4 40347 B12R0.268 CC(O)CCCOCCC[N+](=O)[O-] 34a_200000037920_200000718107 [0,3,0,0,0,0|1,0,0]=4 40348 B12R0.268 CC(O)CCCOCCNC(C)C 34a_100000224655_200000718107 [0,3,0,0,0,0|0,0,0]=3 40349 B12R0.268 CC(O)CCCOCCOC(C)C 34a_100000211219_200000718107 [0,3,0,0,0,0|0,0,0]=3 40350 B12R0.268 CC(O)CCCOCCOC(C)C 7a_100000211219_200000718107 [0,3,0,0,0,0|0,0,0]=3 40351 B12R0.268 CC(O)CCCOCCSC(C)C 34a_200011212901_200000718107 [0,3,0,0,0,0|0,0,0]=3 40352 B12R0.268 CC(O)CCCOCCSC(C)C 7a_200011212901_200000718107 [0,3,0,0,0,0|0,0,0]=3 40353 B12R0.268 CC(O)CCCSCCCC(C)O 62a_200000718107_200000718107 [0,3,0,0,0,0|0,1,0]=4 40354 B12R0.268 CC(O)CCCSCCCN(C)C 62a_200000718107_100000757444 [0,3,0,0,0,0|0,1,0]=4 40355 B12R0.268 CC(O)CCCSCCOC(C)C 62a_100000211751_200000718107 [0,3,0,0,0,0|0,1,0]=4 40356 B12R0.268 CC(O)CCCSCCOC(C)C 62a_200000718107_100000211751 [0,3,0,0,0,0|0,1,0]=4 40357 B12R0.268 CC(O)CCCSCCSC(C)C 62a_100000730970_200000718107 [0,3,0,0,0,0|0,1,0]=4 40358 B12R0.268 CC(O)CCCSCCSC(C)C 62a_200000718107_100000730970 [0,3,0,0,0,0|0,1,0]=4 40359 B12R0.268 CC(O)CCNCCCOC(C)C 2230a_100000737246_100012276601 [0,3,0,0,0,0|1,0,0]=4 40360 B12R0.268 CC(O)CCNCCCOC(C)C 34a_100000737246_100012276601 [0,3,0,0,0,0|1,0,0]=4 40361 B12R0.268 CC(O)CCOCCCCC(=O)N 34a_100012022536_100012276601 [0,3,0,0,0,0|0,0,1]=4 40362 B12R0.268 CC(O)CCOCCCCC(=O)N 7a_100012022536_100012276601 [0,3,0,0,0,0|0,0,1]=4 40363 B12R0.268 CC(O)CCOCCCC[N+](=O)[O-] 34a_200015379883_100012276601 [0,3,0,0,0,0|1,0,0]=4 40364 B12R0.268 CC(O)CCOCCCC[N+](=O)[O-] 7a_200015379883_100012276601 [0,3,0,0,0,0|1,0,0]=4 40365 B12R0.268 CC(O)CCOCCCNC(C)C 34a_100000182298_100012276601 [0,3,0,0,0,0|0,0,0]=3 40366 B12R0.268 CC(O)CCOCCOCC(F)F 34a_100000704375_100012276601 [0,3,0,0,0,0|1,0,0]=4 40367 B12R0.268 CC(O)CCOCCOCC(F)F 7a_100000704375_100012276601 [0,3,0,0,0,0|1,0,0]=4 40368 B12R0.268 CC(O)CCSCCCCN(C)C 62a_100012276601_100000690147 [0,3,0,0,0,0|0,1,0]=4 40369 B12R0.268 C[C@@H](N)CCOCCCCB(O)O 34a_100000706166_200009817182 [0,3,0,0,0,0|1,0,0]=4 40370 B12R0.268 C[C@@H](N)CCOCCOCC(F)F 34a_100000706166_200012177212 [0,3,0,0,0,0|1,0,0]=4 40371 B12R0.5 C#CCCCCCCCCCOC 34a_100000034437_200000210301 [0,3,0,0,0,0|1,0,0]=4 40372 B12R0.5 C#CCCCCCCCCCOC 7a_100000034437_200000210301 [0,3,0,0,0,0|1,0,0]=4 40373 B12R0.5 C#CCCCCCCCCCO[13CH3] 34a_100000034437_200025704644 [0,3,0,0,0,0|1,0,0]=4 40374 B12R0.5 C#CCCCCCCCCCO[13CH3] 7a_100000034437_200025704644 [0,3,0,0,0,0|1,0,0]=4 40375 B12R0.5 C#CCCCCCCCCOCC 34a_100000065265_100000210202 [0,3,0,0,0,0|1,0,0]=4 40376 B12R0.5 C#CCCCCCCCCOCC 7a_100000065265_100000210202 [0,3,0,0,0,0|1,0,0]=4 40377 B12R0.5 C#CCCCCCCCOCCC 34a_100000054614_100000210303 [0,3,0,0,0,0|1,0,0]=4 40378 B12R0.5 C#CCCCCCCCOCCC 34a_100000210258_100153394163 [0,3,0,0,0,0|1,0,0]=4 40379 B12R0.5 C#CCCCCCCCOCCC 7a_100000054614_100000210303 [0,3,0,0,0,0|1,0,0]=4 40380 B12R0.5 C#CCCCCCCCSCCC 62a_100000210303_100153394163 [0,3,0,0,0,0|1,0,0]=4 40381 B12R0.5 C#CCCCCCCCSCCC 62a_100153394163_100000210303 [0,3,0,0,0,0|1,0,0]=4 40382 B12R0.5 C#CCCCCCCNCCCC 2230a_100000102301_100012276617 [0,3,0,0,0,0|1,0,0]=4 40383 B12R0.5 C#CCCCCCCNCCCC 7a_106832991798_100012276617 [0,3,0,0,0,0|1,0,0]=4 40384 B12R0.5 C#CCCCCCCOCCCBr 34a_100011217188_100012276617 [0,3,0,0,0,0|1,0,0]=4 40385 B12R0.5 C#CCCCCCCOCCCC 34a_100000210227_100012276617 [0,3,0,0,0,0|0,0,0]=3 40386 B12R0.5 C#CCCCCCCOCCCC 34a_100011217361_100000210210 [0,3,0,0,0,0|0,0,0]=3 40387 B12R0.5 C#CCCCCCCOCCCC 7a_100000210227_100012276617 [0,3,0,0,0,0|0,0,0]=3 40388 B12R0.5 C#CCCCCCCOCCCC 7a_100011217361_100000210211 [0,3,0,0,0,0|0,0,0]=3 40389 B12R0.5 C#CCCCCCCOCCCCl 34a_100000230001_100012276617 [0,3,0,0,0,0|1,0,0]=4 40390 B12R0.5 C#CCCCCCCOCCCF 34a_100000759539_100012276617 [0,3,0,0,0,0|1,0,0]=4 40391 B12R0.5 C#CCCCCCCOCCCF 34a_100011217361_100011934791 [0,3,0,0,0,0|1,0,0]=4 40392 B12R0.5 C#CCCCCCCOCCCF 7a_100011217361_100011934791 [0,3,0,0,0,0|1,0,0]=4 40393 B12R0.5 C#CCCCCCCOCCCN 34a_100000182051_100012276617 [0,3,0,0,0,0|1,0,0]=4 40394 B12R0.5 C#CCCCCCCOCCCO 34a_100011217361_100000230001 [0,3,0,0,0,0|1,0,0]=4 40395 B12R0.5 C#CCCCCCCOCCCO 7a_100011217361_100011215043 [0,3,0,0,0,0|1,0,0]=4 40396 B12R0.5 C#CCCCCCCOCCOC 34a_100000210237_100012276617 [0,3,0,0,0,0|1,0,0]=4 40397 B12R0.5 C#CCCCCCCOCCOC 34a_100011217361_100011201679 [0,3,0,0,0,0|1,0,0]=4 40398 B12R0.5 C#CCCCCCCOCCOC 7a_100011217361_100000233755 [0,3,0,0,0,0|1,0,0]=4 40399 B12R0.5 C#CCCCCCCOCCSC 34a_100000230434_100012276617 [0,3,0,0,0,0|1,0,0]=4 40400 B12R0.5 C#CCCCCCCOCCSC 34a_100011217361_100000212216 [0,3,0,0,0,0|1,0,0]=4 40401 B12R0.5 C#CCCCCCCOCCSC 7a_100000230434_100012276617 [0,3,0,0,0,0|1,0,0]=4 40402 B12R0.5 C#CCCCCCCOCCSC 7a_100011217361_100000212216 [0,3,0,0,0,0|1,0,0]=4 40403 B12R0.5 C#CCCCCCCSCCCC 62a_100000210211_100012276617 [0,3,0,0,0,0|0,1,0]=4 40404 B12R0.5 C#CCCCCCCSCCCC 62a_100012276617_100000210210 [0,3,0,0,0,0|0,1,0]=4 40405 B12R0.5 C#CCCCCCNCCCCC 2230a_100000209983_100012094781 [0,3,0,0,0,0|1,0,0]=4 40406 B12R0.5 C#CCCCCCNCCCCO 2230a_100000750430_100012094781 [0,3,0,0,0,0|1,0,0]=4 40407 B12R0.5 C#CCCCCCNCCCCO 34a_100000750430_100012094781 [0,3,0,0,0,0|1,0,0]=4 40408 B12R0.5 C#CCCCCCNCCCOC 34a_100150723488_100012094781 [0,3,0,0,0,0|1,0,0]=4 40409 B12R0.5 C#CCCCCCNCCCSC 2230a_100000749238_100012094781 [0,3,0,0,0,0|1,0,0]=4 40410 B12R0.5 C#CCCCCCNCCOCC 2230a_102516460346_100012094781 [0,3,0,0,0,0|1,0,0]=4 40411 B12R0.5 C#CCCCCCNCCOCC 34a_102516460346_100012094781 [0,3,0,0,0,0|1,0,0]=4 40412 B12R0.5 C#CCCCCCNCCSCC 2230a_100000106463_100012094781 [0,3,0,0,0,0|1,0,0]=4 40413 B12R0.5 C#CCCCCCOC/C=C\CC 34a_100000766912_100103147603 [0,3,0,0,0,0|0,0,1]=4 40414 B12R0.5 C#CCCCCCOC/C=C\CC 34a_100016268518_100012094781 [0,3,0,0,0,0|0,0,1]=4 40415 B12R0.5 C#CCCCCCOC/C=C\CC 7a_100000766912_100103147603 [0,3,0,0,0,0|0,0,1]=4 40416 B12R0.5 C#CCCCCCOCC#CCC 34a_100000032950_100012094781 [0,3,0,0,0,0|0,0,1]=4 40417 B12R0.5 C#CCCCCCOCC#CCC 34a_100000766912_100009813939 [0,3,0,0,0,0|0,0,1]=4 40418 B12R0.5 C#CCCCCCOCC#CCC 7a_100000766912_100009813939 [0,3,0,0,0,0|0,0,1]=4 40419 B12R0.5 C#CCCCCCOCC/C=C/C 34a_100016278192_100012094781 [0,3,0,0,0,0|0,0,1]=4 40420 B12R0.5 C#CCCCCCOCCC#CC 34a_100000750427_100012094781 [0,3,0,0,0,0|0,0,1]=4 40421 B12R0.5 C#CCCCCCOCCCC#C 34a_100000215630_100012094781 [0,3,0,0,0,0|0,0,1]=4 40422 B12R0.5 C#CCCCCCOCCCC#C 34a_100000766912_100000695029 [0,3,0,0,0,0|0,0,1]=4 40423 B12R0.5 C#CCCCCCOCCCC#C 7a_100000215630_100012094781 [0,3,0,0,0,0|0,0,1]=4 40424 B12R0.5 C#CCCCCCOCCCC#C 7a_100000766912_100011215417 [0,3,0,0,0,0|0,0,1]=4 40425 B12R0.5 C#CCCCCCOCCCC#N 7a_100000766912_100000687738 [0,3,0,0,0,0|0,0,1]=4 40426 B12R0.5 C#CCCCCCOCCCC=C 34a_100000758997_100012094781 [0,3,0,0,0,0|0,0,1]=4 40427 B12R0.5 C#CCCCCCOCCCC=C 34a_100000766912_100000757094 [0,3,0,0,0,0|0,0,1]=4 40428 B12R0.5 C#CCCCCCOCCCC=C 7a_100000758997_100012094781 [0,3,0,0,0,0|0,0,1]=4 40429 B12R0.5 C#CCCCCCOCCCC=C 7a_100000766912_100000757094 [0,3,0,0,0,0|0,0,1]=4 40430 B12R0.5 C#CCCCCCOCCCC=O 7a_100000766912_200011292268 [0,3,0,0,0,0|0,0,1]=4 40431 B12R0.5 C#CCCCCCOCCCCBr 34a_100011216708_100012094781 [0,3,0,0,0,0|0,0,0]=3 40432 B12R0.5 C#CCCCCCOCCCCC 34a_100000210253_100012094781 [0,3,0,0,0,0|0,0,0]=3 40433 B12R0.5 C#CCCCCCOCCCCC 34a_100000766912_100000718602 [0,3,0,0,0,0|0,0,0]=3 40434 B12R0.5 C#CCCCCCOCCCCC 7a_100000210253_100012094781 [0,3,0,0,0,0|0,0,0]=3 40435 B12R0.5 C#CCCCCCOCCCCC 7a_100000766912_100000210326 [0,3,0,0,0,0|0,0,0]=3 40436 B12R0.5 C#CCCCCCOCCCCCl 34a_100000210776_100012094781 [0,3,0,0,0,0|0,0,0]=3 40437 B12R0.5 C#CCCCCCOCCCCCl 7a_100000210776_100012094781 [0,3,0,0,0,0|0,0,0]=3 40438 B12R0.5 C#CCCCCCOCCCCF 34a_100000766912_100000729493 [0,3,0,0,0,0|0,0,0]=3 40439 B12R0.5 C#CCCCCCOCCCCF 34a_100011995726_100012094781 [0,3,0,0,0,0|0,0,0]=3 40440 B12R0.5 C#CCCCCCOCCCCF 7a_100000766912_100000729493 [0,3,0,0,0,0|0,0,0]=3 40441 B12R0.5 C#CCCCCCOCCCCF 7a_100011995726_100012094781 [0,3,0,0,0,0|0,0,0]=3 40442 B12R0.5 C#CCCCCCOCCCCI 34a_200012148704_100012094781 [0,3,0,0,0,0|0,0,0]=3 40443 B12R0.5 C#CCCCCCOCCCCN 34a_100000750430_100012094781 [0,3,0,0,0,0|0,0,0]=3 40444 B12R0.5 C#CCCCCCOCCCCO 34a_100000766912_100011216708 [0,3,0,0,0,0|0,0,0]=3 40445 B12R0.5 C#CCCCCCOCCCCO 7a_100000766912_100000210776 [0,3,0,0,0,0|0,0,0]=3 40446 B12R0.5 C#CCCCCCOCCCNC 34a_100000213112_100012094781 [0,3,0,0,0,0|0,0,0]=3 40447 B12R0.5 C#CCCCCCOCCCOC 34a_100000740835_100012094781 [0,3,0,0,0,0|0,0,0]=3 40448 B12R0.5 C#CCCCCCOCCCOC 34a_100000766912_100000740836 [0,3,0,0,0,0|0,0,0]=3 40449 B12R0.5 C#CCCCCCOCCCOC 7a_100000766912_100000740836 [0,3,0,0,0,0|0,0,0]=3 40450 B12R0.5 C#CCCCCCOCCCSC 34a_100000690336_100012094781 [0,3,0,0,0,0|0,0,0]=3 40451 B12R0.5 C#CCCCCCOCCCSC 7a_100000690336_100012094781 [0,3,0,0,0,0|0,0,0]=3 40452 B12R0.5 C#CCCCCCOCCOCC 34a_100000210136_100012094781 [0,3,0,0,0,0|0,0,0]=3 40453 B12R0.5 C#CCCCCCOCCOCC 34a_100000766912_100000210147 [0,3,0,0,0,0|0,0,0]=3 40454 B12R0.5 C#CCCCCCOCCOCC 7a_100000210136_100012094781 [0,3,0,0,0,0|0,0,0]=3 40455 B12R0.5 C#CCCCCCOCCOCC 7a_100000766912_100011215890 [0,3,0,0,0,0|0,0,0]=3 40456 B12R0.5 C#CCCCCCOCCSCC 34a_100000212035_100012094781 [0,3,0,0,0,0|0,0,0]=3 40457 B12R0.5 C#CCCCCCOCCSCC 34a_100000766912_100000757381 [0,3,0,0,0,0|0,0,0]=3 40458 B12R0.5 C#CCCCCCOCCSCC 7a_100000212035_100012094781 [0,3,0,0,0,0|0,0,0]=3 40459 B12R0.5 C#CCCCCCOCCSCC 7a_100000766912_100000757381 [0,3,0,0,0,0|0,0,0]=3 40460 B12R0.5 C#CCCCCCSCCCCC 62a_100000210326_100012094781 [0,3,0,0,0,0|0,1,0]=4 40461 B12R0.5 C#CCCCCCSCCCCC 62a_100012094781_100000210326 [0,3,0,0,0,0|0,1,0]=4 40462 B12R0.5 C#CCCCCCSCCCCF 62a_100000729493_100012094781 [0,3,0,0,0,0|0,1,0]=4 40463 B12R0.5 C#CCCCCCSCCCCF 62a_100012094781_100000729493 [0,3,0,0,0,0|0,1,0]=4 40464 B12R0.5 C#CCCCCCSCCCCO 62a_100000210776_100012094781 [0,3,0,0,0,0|0,1,0]=4 40465 B12R0.5 C#CCCCCCSCCCCO 62a_100012094781_100000210776 [0,3,0,0,0,0|0,1,0]=4 40466 B12R0.5 C#CCCCCCSCCCOC 62a_100000709357_100012094781 [0,3,0,0,0,0|0,1,0]=4 40467 B12R0.5 C#CCCCCCSCCCOC 62a_100012094781_100000709357 [0,3,0,0,0,0|0,1,0]=4 40468 B12R0.5 C#CCCCCCSCCOCC 62a_100000210147_100012094781 [0,3,0,0,0,0|0,1,0]=4 40469 B12R0.5 C#CCCCCCSCCOCC 62a_100012094781_100011215890 [0,3,0,0,0,0|0,1,0]=4 40470 B12R0.5 C#CCCCCCSCCSCC 62a_100000757381_100012094781 [0,3,0,0,0,0|0,1,0]=4 40471 B12R0.5 C#CCCCCCSCCSCC 62a_100012094781_100000757381 [0,3,0,0,0,0|0,1,0]=4 40472 B12R0.5 C#CCCCCNCCCCCC 2230a_100000210581_100010269958 [0,3,0,0,0,0|1,0,0]=4 40473 B12R0.5 C#CCCCCNCCCCCC 2230a_100000706060_100000210314 [0,3,0,0,0,0|1,0,0]=4 40474 B12R0.5 C#CCCCCNCCCCCC 34a_100000706060_100000210314 [0,3,0,0,0,0|1,0,0]=4 40475 B12R0.5 C#CCCCCNCCCCCF 2230a_100000706060_100000729378 [0,3,0,0,0,0|1,0,0]=4 40476 B12R0.5 C#CCCCCNCCCCCF 34a_100000706060_100000729378 [0,3,0,0,0,0|1,0,0]=4 40477 B12R0.5 C#CCCCCNCCCCCO 2230a_100000706060_100000746330 [0,3,0,0,0,0|1,0,0]=4 40478 B12R0.5 C#CCCCCNCCCCCO 2230a_100000762737_100010269958 [0,3,0,0,0,0|1,0,0]=4 40479 B12R0.5 C#CCCCCNCCCCCO 34a_100000706060_100000746330 [0,3,0,0,0,0|1,0,0]=4 40480 B12R0.5 C#CCCCCNCCCCCO 34a_100000762737_100010269958 [0,3,0,0,0,0|1,0,0]=4 40481 B12R0.5 C#CCCCCNCCCCOC 2230a_100000706060_100000730899 [0,3,0,0,0,0|1,0,0]=4 40482 B12R0.5 C#CCCCCNCCCCOC 34a_100000706060_100000755781 [0,3,0,0,0,0|1,0,0]=4 40483 B12R0.5 C#CCCCCNCCCOCC 2230a_100000210961_100010269958 [0,3,0,0,0,0|1,0,0]=4 40484 B12R0.5 C#CCCCCNCCCOCC 2230a_100000706060_100012232248 [0,3,0,0,0,0|1,0,0]=4 40485 B12R0.5 C#CCCCCNCCCOCC 34a_100000210961_100010269958 [0,3,0,0,0,0|1,0,0]=4 40486 B12R0.5 C#CCCCCNCCCOCC 34a_100000706060_100012232248 [0,3,0,0,0,0|1,0,0]=4 40487 B12R0.5 C#CCCCCNCCOCCC 2230a_100000706060_100011215938 [0,3,0,0,0,0|1,0,0]=4 40488 B12R0.5 C#CCCCCNCCOCCC 2230a_100161115042_100010269958 [0,3,0,0,0,0|1,0,0]=4 40489 B12R0.5 C#CCCCCNCCOCCC 34a_100000706060_100011215938 [0,3,0,0,0,0|1,0,0]=4 40490 B12R0.5 C#CCCCCNCCOCCC 34a_100161115042_100010269958 [0,3,0,0,0,0|1,0,0]=4 40491 B12R0.5 C#CCCCCNCCSCCC 2230a_100020603323_100010269958 [0,3,0,0,0,0|1,0,0]=4 40492 B12R0.5 C#CCCCCNCOCCCC 2230a_100000706060_100011995733 [0,3,0,0,0,0|0,0,0]=3 40493 B12R0.5 C#CCCCCNCOCCCC 34a_100000706060_100011995733 [0,3,0,0,0,0|0,0,0]=3 40494 B12R0.5 C#CCCCCNCOCCOC 2230a_100000706060_100000231047 [0,3,0,0,0,0|1,0,0]=4 40495 B12R0.5 C#CCCCCOC/C=C/CCC 34a_100016278788_100010269958 [0,3,0,0,0,0|0,0,1]=4 40496 B12R0.5 C#CCCCCOC/C=C/CCC 7a_100016278788_100010269958 [0,3,0,0,0,0|0,0,1]=4 40497 B12R0.5 C#CCCCCOCC#CCCC 34a_100000034806_100010269958 [0,3,0,0,0,0|0,0,1]=4 40498 B12R0.5 C#CCCCCOCC#CCCC 7a_100000034806_100010269958 [0,3,0,0,0,0|0,0,1]=4 40499 B12R0.5 C#CCCCCOCC/C=C\CC 34a_100000766709_100015370543 [0,3,0,0,0,0|0,0,1]=4 40500 B12R0.5 C#CCCCCOCC/C=C\CC 34a_100016288707_100010269958 [0,3,0,0,0,0|0,0,1]=4 40501 B12R0.5 C#CCCCCOCC/C=C\CC 7a_100000766709_100015370543 [0,3,0,0,0,0|0,0,1]=4 40502 B12R0.5 C#CCCCCOCC/C=C\CC 7a_100016288707_100010269958 [0,3,0,0,0,0|0,0,1]=4 40503 B12R0.5 C#CCCCCOCCC#CCC 34a_100000036655_100010269958 [0,3,0,0,0,0|0,0,1]=4 40504 B12R0.5 C#CCCCCOCCC#CCC 7a_100000036655_100010269958 [0,3,0,0,0,0|0,0,1]=4 40505 B12R0.5 C#CCCCCOCCCC=CC 34a_100020645299_100010269958 [0,3,0,0,0,0|0,0,1]=4 40506 B12R0.5 C#CCCCCOCCCCC#C 34a_100000766709_100010269958 [0,3,0,0,0,0|0,0,1]=4 40507 B12R0.5 C#CCCCCOCCCCC#C 7a_100000766709_100010269958 [0,3,0,0,0,0|0,0,1]=4 40508 B12R0.5 C#CCCCCOCCCCC#N 7a_100000766709_100000211819 [0,3,0,0,0,0|0,0,1]=4 40509 B12R0.5 C#CCCCCOCCCCC=C 34a_100000766645_100010269958 [0,3,0,0,0,0|0,0,1]=4 40510 B12R0.5 C#CCCCCOCCCCC=C 34a_100000766709_100011215482 [0,3,0,0,0,0|0,0,1]=4 40511 B12R0.5 C#CCCCCOCCCCC=C 7a_100000766645_100010269958 [0,3,0,0,0,0|0,0,1]=4 40512 B12R0.5 C#CCCCCOCCCCC=C 7a_100000766709_100011215482 [0,3,0,0,0,0|0,0,1]=4 40513 B12R0.5 C#CCCCCOCCCCC=O 7a_100000766709_100000139335 [0,3,0,0,0,0|0,0,1]=4 40514 B12R0.5 C#CCCCCOCCCCCBr 34a_100000746331_100010269958 [0,3,0,0,0,0|0,0,0]=3 40515 B12R0.5 C#CCCCCOCCCCCBr 7a_100000746331_100010269958 [0,3,0,0,0,0|0,0,0]=3 40516 B12R0.5 C#CCCCCOCCCCCC 34a_100000210259_100010269958 [0,3,0,0,0,0|0,0,0]=3 40517 B12R0.5 C#CCCCCOCCCCCC 34a_100000766709_100000210314 [0,3,0,0,0,0|0,0,0]=3 40518 B12R0.5 C#CCCCCOCCCCCC 7a_100000210259_100010269958 [0,3,0,0,0,0|0,0,0]=3 40519 B12R0.5 C#CCCCCOCCCCCC 7a_100000766709_100000210314 [0,3,0,0,0,0|0,0,0]=3 40520 B12R0.5 C#CCCCCOCCCCCCl 34a_100000746330_100010269958 [0,3,0,0,0,0|0,0,0]=3 40521 B12R0.5 C#CCCCCOCCCCCCl 7a_100000746330_100010269958 [0,3,0,0,0,0|0,0,0]=3 40522 B12R0.5 C#CCCCCOCCCCCF 34a_100000766709_100000729378 [0,3,0,0,0,0|0,0,0]=3 40523 B12R0.5 C#CCCCCOCCCCCF 7a_100000766709_100000729378 [0,3,0,0,0,0|0,0,0]=3 40524 B12R0.5 C#CCCCCOCCCCCI 34a_200012148887_100010269958 [0,3,0,0,0,0|0,0,0]=3 40525 B12R0.5 C#CCCCCOCCCCCI 7a_200012148887_100010269958 [0,3,0,0,0,0|0,0,0]=3 40526 B12R0.5 C#CCCCCOCCCCCN 34a_100000762737_100010269958 [0,3,0,0,0,0|0,0,0]=3 40527 B12R0.5 C#CCCCCOCCCCCO 34a_100000766709_100000746330 [0,3,0,0,0,0|0,0,0]=3 40528 B12R0.5 C#CCCCCOCCCCCO 7a_100000766709_100000746330 [0,3,0,0,0,0|0,0,0]=3 40529 B12R0.5 C#CCCCCOCCCCOC 34a_100000740925_100010269958 [0,3,0,0,0,0|0,0,0]=3 40530 B12R0.5 C#CCCCCOCCCCOC 34a_100000766709_100000755781 [0,3,0,0,0,0|0,0,0]=3 40531 B12R0.5 C#CCCCCOCCCCOC 7a_100000766709_100000730899 [0,3,0,0,0,0|0,0,0]=3 40532 B12R0.5 C#CCCCCOCCCCSC 34a_100011217163_100010269958 [0,3,0,0,0,0|0,0,0]=3 40533 B12R0.5 C#CCCCCOCCCCSC 7a_100011217163_100010269958 [0,3,0,0,0,0|0,0,0]=3 40534 B12R0.5 C#CCCCCOCCCOCC 34a_100000757476_100010269958 [0,3,0,0,0,0|0,0,0]=3 40535 B12R0.5 C#CCCCCOCCCOCC 34a_100000766709_100012232248 [0,3,0,0,0,0|0,0,0]=3 40536 B12R0.5 C#CCCCCOCCCOCC 7a_100000757476_100010269958 [0,3,0,0,0,0|0,0,0]=3 40537 B12R0.5 C#CCCCCOCCCOCC 7a_100000766709_100012232248 [0,3,0,0,0,0|0,0,0]=3 40538 B12R0.5 C#CCCCCOCCCSCC 34a_100011216438_100010269958 [0,3,0,0,0,0|0,0,0]=3 40539 B12R0.5 C#CCCCCOCCCSCC 7a_100011216438_100010269958 [0,3,0,0,0,0|0,0,0]=3 40540 B12R0.5 C#CCCCCOCCOCCBr 34a_100000692535_100010269958 [0,3,0,0,0,0|0,0,1]=4 40541 B12R0.5 C#CCCCCOCCOCCBr 7a_100000692535_100010269958 [0,3,0,0,0,0|0,0,1]=4 40542 B12R0.5 C#CCCCCOCCOCCC 34a_100000752267_100010269958 [0,3,0,0,0,0|0,0,0]=3 40543 B12R0.5 C#CCCCCOCCOCCC 34a_100000766709_100011215938 [0,3,0,0,0,0|0,0,0]=3 40544 B12R0.5 C#CCCCCOCCOCCC 7a_100000752267_100010269958 [0,3,0,0,0,0|0,0,0]=3 40545 B12R0.5 C#CCCCCOCCOCCC 7a_100000766709_100011215938 [0,3,0,0,0,0|0,0,0]=3 40546 B12R0.5 C#CCCCCOCCOCCCl 34a_100011215305_100010269958 [0,3,0,0,0,0|0,0,1]=4 40547 B12R0.5 C#CCCCCOCCOCCCl 7a_100011215305_100010269958 [0,3,0,0,0,0|0,0,1]=4 40548 B12R0.5 C#CCCCCOCCOCCF 34a_200015357709_100010269958 [0,3,0,0,0,0|0,0,1]=4 40549 B12R0.5 C#CCCCCOCCOCCF 7a_200015357709_100010269958 [0,3,0,0,0,0|0,0,1]=4 40550 B12R0.5 C#CCCCCOCCOCCI 34a_100012149058_100010269958 [0,3,0,0,0,0|0,0,1]=4 40551 B12R0.5 C#CCCCCOCCOCCI 7a_100012149058_100010269958 [0,3,0,0,0,0|0,0,1]=4 40552 B12R0.5 C#CCCCCOCCOCCN 34a_100000211614_100010269958 [0,3,0,0,0,0|0,0,1]=4 40553 B12R0.5 C#CCCCCOCCOCCO 34a_100000766709_100000692535 [0,3,0,0,0,0|0,0,1]=4 40554 B12R0.5 C#CCCCCOCCOCCO 7a_100000766709_100011215305 [0,3,0,0,0,0|0,0,1]=4 40555 B12R0.5 C#CCCCCOCCSCCC 34a_200000230433_100010269958 [0,3,0,0,0,0|0,0,0]=3 40556 B12R0.5 C#CCCCCOCCSCCC 7a_200000230433_100010269958 [0,3,0,0,0,0|0,0,0]=3 40557 B12R0.5 C#CCCCCOCOCCCC 34a_100000766709_100011995733 [0,3,0,0,0,0|0,0,0]=3 40558 B12R0.5 C#CCCCCSCCCCCC 62a_100000210314_100010269958 [0,3,0,0,0,0|0,1,0]=4 40559 B12R0.5 C#CCCCCSCCCCCC 62a_100010269958_100000210757 [0,3,0,0,0,0|0,1,0]=4 40560 B12R0.5 C#CCCCCSCCCCCF 62a_100000729378_100010269958 [0,3,0,0,0,0|0,1,0]=4 40561 B12R0.5 C#CCCCCSCCCCCF 62a_100010269958_100000729378 [0,3,0,0,0,0|0,1,0]=4 40562 B12R0.5 C#CCCCCSCCCCCO 62a_100000746330_100010269958 [0,3,0,0,0,0|0,1,0]=4 40563 B12R0.5 C#CCCCCSCCCCCO 62a_100010269958_100000746330 [0,3,0,0,0,0|0,1,0]=4 40564 B12R0.5 C#CCCCCSCCCCOC 62a_100000730899_100010269958 [0,3,0,0,0,0|0,1,0]=4 40565 B12R0.5 C#CCCCCSCCCCOC 62a_100010269958_100000730899 [0,3,0,0,0,0|0,1,0]=4 40566 B12R0.5 C#CCCCCSCCCOCC 62a_100010269958_100012232248 [0,3,0,0,0,0|0,1,0]=4 40567 B12R0.5 C#CCCCCSCCCOCC 62a_100012232248_100010269958 [0,3,0,0,0,0|0,1,0]=4 40568 B12R0.5 C#CCCCCSCCOCCC 62a_100010269958_100011215938 [0,3,0,0,0,0|0,1,0]=4 40569 B12R0.5 C#CCCCCSCCOCCC 62a_100011215938_100010269958 [0,3,0,0,0,0|0,1,0]=4 40570 B12R0.5 C#CCCCCSCOCCCC 62a_100010269958_100011995733 [0,3,0,0,0,0|0,0,0]=3 40571 B12R0.5 C#CCCCCSCOCCCC 62a_100011995733_100010269958 [0,3,0,0,0,0|0,0,0]=3 40572 B12R0.5 C#CCCCCSCOCCOC 62a_100000231047_100010269958 [0,3,0,0,0,0|1,0,0]=4 40573 B12R0.5 C#CCCCCSCOCCOC 62a_100010269958_100000231047 [0,3,0,0,0,0|1,0,0]=4 40574 B12R0.5 C#CCCCNCCCCCCC 2230a_100000229938_100000731252 [0,3,0,0,0,0|1,0,0]=4 40575 B12R0.5 C#CCCCNCCCCCCC 34a_100000718082_100000210614 [0,3,0,0,0,0|1,0,0]=4 40576 B12R0.5 C#CCCCNCCOCCCC 34a_100000718082_100000743108 [0,3,0,0,0,0|0,0,0]=3 40577 B12R0.5 C#CCCCNCCOCCOC 2230a_100000745349_100000731252 [0,3,0,0,0,0|1,0,0]=4 40578 B12R0.5 C#CCCCNCCOCCOC 34a_100000718082_100000695917 [0,3,0,0,0,0|1,0,0]=4 40579 B12R0.5 C#CCCCNCCOCCOC 34a_100000745349_100000695029 [0,3,0,0,0,0|1,0,0]=4 40580 B12R0.5 C#CCCCNCCSCCCC 2230a_100025743550_100000731252 [0,3,0,0,0,0|0,1,0]=4 40581 B12R0.5 C#CCCCOC/C=C/CCCC 34a_200016272032_100000695029 [0,3,0,0,0,0|0,0,1]=4 40582 B12R0.5 C#CCCCOC/C=C/CCCC 7a_200016272032_100011215417 [0,3,0,0,0,0|0,0,1]=4 40583 B12R0.5 C#CCCCOCC#CCCCC 34a_200000034558_100000695029 [0,3,0,0,0,0|0,0,1]=4 40584 B12R0.5 C#CCCCOCC#CCCCC 7a_200000034558_100011215417 [0,3,0,0,0,0|0,0,1]=4 40585 B12R0.5 C#CCCCOCCC#CCCC 34a_100000042726_100000695029 [0,3,0,0,0,0|0,0,1]=4 40586 B12R0.5 C#CCCCOCCC#CCCC 7a_100000042726_100011215417 [0,3,0,0,0,0|0,0,1]=4 40587 B12R0.5 C#CCCCOCCC/C=C/CC 34a_100016287902_100000695029 [0,3,0,0,0,0|0,0,1]=4 40588 B12R0.5 C#CCCCOCCC/C=C/CC 7a_100016287902_100011215417 [0,3,0,0,0,0|0,0,1]=4 40589 B12R0.5 C#CCCCOCCCCCC#N 7a_100000215630_100009813376 [0,3,0,0,0,0|0,0,1]=4 40590 B12R0.5 C#CCCCOCCCCCC=C 34a_100000215630_100000700193 [0,3,0,0,0,0|0,0,1]=4 40591 B12R0.5 C#CCCCOCCCCCC=C 34a_100011216702_100000695029 [0,3,0,0,0,0|0,0,1]=4 40592 B12R0.5 C#CCCCOCCCCCC=C 7a_100000215630_100000700193 [0,3,0,0,0,0|0,0,1]=4 40593 B12R0.5 C#CCCCOCCCCCC=C 7a_100011216702_100011215417 [0,3,0,0,0,0|0,0,1]=4 40594 B12R0.5 C#CCCCOCCCCCC=O 7a_100000215630_100000139337 [0,3,0,0,0,0|0,0,1]=4 40595 B12R0.5 C#CCCCOCCCCCCBr 34a_100011215345_100000695029 [0,3,0,0,0,0|0,0,1]=4 40596 B12R0.5 C#CCCCOCCCCCCBr 7a_100011215345_100011215417 [0,3,0,0,0,0|0,0,1]=4 40597 B12R0.5 C#CCCCOCCCCCCC 34a_100000210272_100000695029 [0,3,0,0,0,0|0,0,1]=4 40598 B12R0.5 C#CCCCOCCCCCCC 34a_100000215630_100000210614 [0,3,0,0,0,0|0,0,1]=4 40599 B12R0.5 C#CCCCOCCCCCCC 7a_100000210272_100011215417 [0,3,0,0,0,0|0,0,1]=4 40600 B12R0.5 C#CCCCOCCCCCCC 7a_100000215630_100000210614 [0,3,0,0,0,0|0,0,1]=4 40601 B12R0.5 C#CCCCOCCCCCCCl 34a_100000766143_100000695029 [0,3,0,0,0,0|0,0,1]=4 40602 B12R0.5 C#CCCCOCCCCCCCl 7a_100000766143_100011215417 [0,3,0,0,0,0|0,0,1]=4 40603 B12R0.5 C#CCCCOCCCCCCF 34a_100000215630_100015922095 [0,3,0,0,0,0|0,0,1]=4 40604 B12R0.5 C#CCCCOCCCCCCF 34a_100000732779_100000695029 [0,3,0,0,0,0|0,0,1]=4 40605 B12R0.5 C#CCCCOCCCCCCF 7a_100000215630_100015922095 [0,3,0,0,0,0|0,0,1]=4 40606 B12R0.5 C#CCCCOCCCCCCF 7a_100000732779_100011215417 [0,3,0,0,0,0|0,0,1]=4 40607 B12R0.5 C#CCCCOCCCCCCN 34a_100000686447_100000695029 [0,3,0,0,0,0|0,0,1]=4 40608 B12R0.5 C#CCCCOCCCCCCO 34a_100000215630_100000766143 [0,3,0,0,0,0|0,0,1]=4 40609 B12R0.5 C#CCCCOCCCCCCO 7a_100000215630_100000766143 [0,3,0,0,0,0|0,0,1]=4 40610 B12R0.5 C#CCCCOCCCCCNC 34a_100000722520_100000695029 [0,3,0,0,0,0|0,0,1]=4 40611 B12R0.5 C#CCCCOCCOCCCC 34a_100000210238_100000695029 [0,3,0,0,0,0|0,0,0]=3 40612 B12R0.5 C#CCCCOCCOCCCC 34a_100000215630_100000743108 [0,3,0,0,0,0|0,0,0]=3 40613 B12R0.5 C#CCCCOCCOCCCC 7a_100000210238_100011215417 [0,3,0,0,0,0|0,0,0]=3 40614 B12R0.5 C#CCCCOCCOCCCC 7a_100000215630_100000743108 [0,3,0,0,0,0|0,0,0]=3 40615 B12R0.5 C#CCCCOCCOCCNC 34a_100000228057_100000695029 [0,3,0,0,0,0|0,0,1]=4 40616 B12R0.5 C#CCCCOCCOCCOC 34a_100000215630_100000695917 [0,3,0,0,0,0|0,0,1]=4 40617 B12R0.5 C#CCCCOCCOCCOC 34a_100011215163_100000695029 [0,3,0,0,0,0|0,0,1]=4 40618 B12R0.5 C#CCCCOCCOCCOC 7a_100000215630_100000695917 [0,3,0,0,0,0|0,0,1]=4 40619 B12R0.5 C#CCCCOCCOCCOC 7a_100011215163_100011215417 [0,3,0,0,0,0|0,0,1]=4 40620 B12R0.5 C#CCCCOCCSCCCC 34a_200000230436_100000695029 [0,3,0,0,0,0|0,0,1]=4 40621 B12R0.5 C#CCCCOCCSCCCC 7a_200000230436_100011215417 [0,3,0,0,0,0|0,0,1]=4 40622 B12R0.5 C#CCCCSCCCCCCC 62a_100000210614_100011215417 [0,3,0,0,0,0|1,0,0]=4 40623 B12R0.5 C#CCCCSCCCCCCC 62a_100011215417_100000210316 [0,3,0,0,0,0|1,0,0]=4 40624 B12R0.5 C#CCCCSCCOCCCC 62a_100000743108_100011215417 [0,3,0,0,0,0|0,0,0]=3 40625 B12R0.5 C#CCCCSCCOCCCC 62a_100011215417_100000743108 [0,3,0,0,0,0|0,0,0]=3 40626 B12R0.5 C#CCCCSCCOCCOC 62a_100000695917_100011215417 [0,3,0,0,0,0|1,0,0]=4 40627 B12R0.5 C#CCCCSCCOCCOC 62a_100011215417_100000695917 [0,3,0,0,0,0|1,0,0]=4 40628 B12R0.5 C#CCCNCCCCCCCC 2230a_100000229939_100000688953 [0,3,0,0,0,0|1,0,0]=4 40629 B12R0.5 C#CCCNCCCCCCCC 34a_100000229939_100000688953 [0,3,0,0,0,0|1,0,0]=4 40630 B12R0.5 C#CCCNCCCCCCCC 34a_100000755551_100000210759 [0,3,0,0,0,0|1,0,0]=4 40631 B12R0.5 C#CCCNCCCOCCCC 2230a_200000211371_100000688953 [0,3,0,0,0,0|0,0,0]=3 40632 B12R0.5 C#CCCNCCCOCCCC 34a_200000211371_100000688953 [0,3,0,0,0,0|0,0,0]=3 40633 B12R0.5 C#CCCNCCCOCCCO 2230a_100011310245_100000688953 [0,3,0,0,0,0|1,0,0]=4 40634 B12R0.5 C#CCCNCCCOCCCO 34a_100011310245_100000688953 [0,3,0,0,0,0|1,0,0]=4 40635 B12R0.5 C#CCCNCCCOCCOC 2230a_100000206027_100000688953 [0,3,0,0,0,0|1,0,0]=4 40636 B12R0.5 C#CCCNCCCOCCOC 34a_100000206027_100000688953 [0,3,0,0,0,0|1,0,0]=4 40637 B12R0.5 C#CCCNCCCOCCOC 34a_100000755551_100011216529 [0,3,0,0,0,0|1,0,0]=4 40638 B12R0.5 C#CCCNCCOCCOCC 2230a_100102712874_100000688953 [0,3,0,0,0,0|0,0,1]=4 40639 B12R0.5 C#CCCNCCOCCOCC 34a_100000755551_100011211534 [0,3,0,0,0,0|0,0,1]=4 40640 B12R0.5 C#CCCNCCOCCOCC 34a_100102712874_100000688953 [0,3,0,0,0,0|0,0,1]=4 40641 B12R0.5 C#CCCOCCCCCCCC 34a_100000210232_100000688953 [0,3,0,0,0,0|1,0,0]=4 40642 B12R0.5 C#CCCOCCCCCCCC 34a_100011215631_100000210759 [0,3,0,0,0,0|1,0,0]=4 40643 B12R0.5 C#CCCOCCCCCCCC 7a_100000210232_100000688953 [0,3,0,0,0,0|1,0,0]=4 40644 B12R0.5 C#CCCOCCCOCCCC 34a_200011215613_100000688953 [0,3,0,0,0,0|0,0,0]=3 40645 B12R0.5 C#CCCOCCCOCCCC 7a_200011215613_100000688953 [0,3,0,0,0,0|0,0,0]=3 40646 B12R0.5 C#CCCOCCCOCCCN 34a_100011310245_100000688953 [0,3,0,0,0,0|1,0,0]=4 40647 B12R0.5 C#CCCOCCCOCCOC 34a_100011215631_100011216529 [0,3,0,0,0,0|1,0,0]=4 40648 B12R0.5 C#CCCOCCNCCCCC 34a_100000224656_100000688953 [0,3,0,0,0,0|1,0,0]=4 40649 B12R0.5 C#CCCOCCOCCCCC 34a_100011215259_100000688953 [0,3,0,0,0,0|0,0,0]=3 40650 B12R0.5 C#CCCOCCOCCCCC 7a_100011215259_100000688953 [0,3,0,0,0,0|0,0,0]=3 40651 B12R0.5 C#CCCOCCOCCOCC 34a_100000210240_100000688953 [0,3,0,0,0,0|0,0,1]=4 40652 B12R0.5 C#CCCOCCOCCOCC 34a_100011215631_100011211534 [0,3,0,0,0,0|0,0,1]=4 40653 B12R0.5 C#CCCOCCOCCOCC 7a_100000210240_100000688953 [0,3,0,0,0,0|0,0,1]=4 40654 B12R0.5 C#CCCSCCCCCCCC 62a_100000210759_100000688953 [0,3,0,0,0,0|1,0,0]=4 40655 B12R0.5 C#CCCSCCCCCCCC 62a_100000688953_100000210317 [0,3,0,0,0,0|1,0,0]=4 40656 B12R0.5 C#CCCSCCCOCCOC 62a_100000688953_100011216529 [0,3,0,0,0,0|1,0,0]=4 40657 B12R0.5 C#CCCSCCCOCCOC 62a_100011216529_100000688953 [0,3,0,0,0,0|1,0,0]=4 40658 B12R0.5 C#CCCSCCOCCOCC 62a_100000688953_100011211534 [0,3,0,0,0,0|0,0,1]=4 40659 B12R0.5 C#CCCSCCOCCOCC 62a_100011211534_100000688953 [0,3,0,0,0,0|0,0,1]=4 40660 B12R0.5 C#CCNCCCCCCCCC 2230a_100000212291_100000038162 [0,3,0,0,0,0|1,0,0]=4 40661 B12R0.5 C#CCNCCCCCCCCC 34a_100000212058_100011214924 [0,3,0,0,0,0|1,0,0]=4 40662 B12R0.5 C#CCNCCCCCCCCC 34a_100000212291_100000184674 [0,3,0,0,0,0|1,0,0]=4 40663 B12R0.5 C#CCNCCOCCOCCC 2230a_200011904461_100000038162 [0,3,0,0,0,0|0,0,1]=4 40664 B12R0.5 C#CCNCCOCCOCCC 34a_200011904461_100000184674 [0,3,0,0,0,0|0,0,1]=4 40665 B12R0.5 C#CCOCCCCCCCCC 34a_100000210247_100011214924 [0,3,0,0,0,0|1,0,0]=4 40666 B12R0.5 C#CCOCCCCCCCCC 34a_100000210712_100000184674 [0,3,0,0,0,0|1,0,0]=4 40667 B12R0.5 C#CCOCCCCCCCCC 7a_100000210712_100000038162 [0,3,0,0,0,0|1,0,0]=4 40668 B12R0.5 C#CCOCCCCNCCCC 34a_200011216965_100000184674 [0,3,0,0,0,0|1,0,0]=4 40669 B12R0.5 C#CCOCCCCOCCCC 34a_200000760531_100000184674 [0,3,0,0,0,0|0,0,0]=3 40670 B12R0.5 C#CCOCCCCOCCCC 7a_200000760531_100000038162 [0,3,0,0,0,0|0,0,0]=3 40671 B12R0.5 C#CCOCCCOCCCOC 34a_200011215475_100000184674 [0,3,0,0,0,0|0,0,1]=4 40672 B12R0.5 C#CCOCCCOCCCOC 7a_200011215475_100000038162 [0,3,0,0,0,0|0,0,1]=4 40673 B12R0.5 C#CCOCCNCOCCCC 2230a_100000700922_100011995733 [0,3,0,0,0,0|0,0,1]=4 40674 B12R0.5 C#CCOCCNCOCCCC 34a_100000700922_100011995733 [0,3,0,0,0,0|0,0,1]=4 40675 B12R0.5 C#CCOCCOCCCCCBr 34a_100000746331_100010402529 [0,3,0,0,0,0|0,0,1]=4 40676 B12R0.5 C#CCOCCOCCCCCBr 7a_100000746331_100010402529 [0,3,0,0,0,0|0,0,1]=4 40677 B12R0.5 C#CCOCCOCCCCCC 34a_100000054580_100000210314 [0,3,0,0,0,0|0,0,1]=4 40678 B12R0.5 C#CCOCCOCCCCCC 34a_100000210259_100010402529 [0,3,0,0,0,0|0,0,1]=4 40679 B12R0.5 C#CCOCCOCCCCCC 34a_100000691444_100000184674 [0,3,0,0,0,0|0,0,1]=4 40680 B12R0.5 C#CCOCCOCCCCCC 7a_100000054580_100000210314 [0,3,0,0,0,0|0,0,1]=4 40681 B12R0.5 C#CCOCCOCCCCCC 7a_100000210259_100010402529 [0,3,0,0,0,0|0,0,1]=4 40682 B12R0.5 C#CCOCCOCCCCCC 7a_100000691444_100000038162 [0,3,0,0,0,0|0,0,1]=4 40683 B12R0.5 C#CCOCCOCCCCCCl 34a_100000746330_100010402529 [0,3,0,0,0,0|0,0,1]=4 40684 B12R0.5 C#CCOCCOCCCCCCl 7a_100000746330_100010402529 [0,3,0,0,0,0|0,0,1]=4 40685 B12R0.5 C#CCOCCOCCCCCF 34a_100000054580_100000729378 [0,3,0,0,0,0|0,0,1]=4 40686 B12R0.5 C#CCOCCOCCCCCF 7a_100000054580_100000729378 [0,3,0,0,0,0|0,0,1]=4 40687 B12R0.5 C#CCOCCOCCCCCI 34a_200012148887_100010402529 [0,3,0,0,0,0|0,0,1]=4 40688 B12R0.5 C#CCOCCOCCCCCI 7a_200012148887_100010402529 [0,3,0,0,0,0|0,0,1]=4 40689 B12R0.5 C#CCOCCOCCCCCN 34a_100000762737_100010402529 [0,3,0,0,0,0|0,0,1]=4 40690 B12R0.5 C#CCOCCOCCCCCO 34a_100000054580_100000746330 [0,3,0,0,0,0|0,0,1]=4 40691 B12R0.5 C#CCOCCOCCCCCO 7a_100000054580_100000746330 [0,3,0,0,0,0|0,0,1]=4 40692 B12R0.5 C#CCOCCOCCCCOC 34a_100000054580_100000755781 [0,3,0,0,0,0|0,0,1]=4 40693 B12R0.5 C#CCOCCOCCCCOC 34a_100000740925_100010402529 [0,3,0,0,0,0|0,0,1]=4 40694 B12R0.5 C#CCOCCOCCCCOC 7a_100000054580_100000730899 [0,3,0,0,0,0|0,0,1]=4 40695 B12R0.5 C#CCOCCOCCCCSC 34a_100011217163_100010402529 [0,3,0,0,0,0|0,0,1]=4 40696 B12R0.5 C#CCOCCOCCCCSC 7a_100011217163_100010402529 [0,3,0,0,0,0|0,0,1]=4 40697 B12R0.5 C#CCOCCOCCCOCC 34a_100000054580_100012232248 [0,3,0,0,0,0|0,0,1]=4 40698 B12R0.5 C#CCOCCOCCCOCC 34a_100000757476_100010402529 [0,3,0,0,0,0|0,0,1]=4 40699 B12R0.5 C#CCOCCOCCCOCC 7a_100000054580_100012232248 [0,3,0,0,0,0|0,0,1]=4 40700 B12R0.5 C#CCOCCOCCCOCC 7a_100000757476_100010402529 [0,3,0,0,0,0|0,0,1]=4 40701 B12R0.5 C#CCOCCOCCCSCC 34a_100011216438_100010402529 [0,3,0,0,0,0|0,0,1]=4 40702 B12R0.5 C#CCOCCOCCCSCC 7a_100011216438_100010402529 [0,3,0,0,0,0|0,0,1]=4 40703 B12R0.5 C#CCOCCOCCNCCC 2230a_100000056377_100000210303 [0,3,0,0,0,0|0,0,1]=4 40704 B12R0.5 C#CCOCCOCCNCCC 34a_100000056377_100000210303 [0,3,0,0,0,0|0,0,1]=4 40705 B12R0.5 C#CCOCCOCCOCCC 34a_100000041007_100000210303 [0,3,0,0,0,0|0,0,1]=4 40706 B12R0.5 C#CCOCCOCCOCCC 34a_100000054580_100011215938 [0,3,0,0,0,0|0,0,1]=4 40707 B12R0.5 C#CCOCCOCCOCCC 34a_100000210258_100010408581 [0,3,0,0,0,0|0,0,1]=4 40708 B12R0.5 C#CCOCCOCCOCCC 34a_100000752267_100010402529 [0,3,0,0,0,0|0,0,1]=4 40709 B12R0.5 C#CCOCCOCCOCCC 7a_100000041007_100000210303 [0,3,0,0,0,0|0,0,1]=4 40710 B12R0.5 C#CCOCCOCCOCCC 7a_100000054580_100011215938 [0,3,0,0,0,0|0,0,1]=4 40711 B12R0.5 C#CCOCCOCCOCCC 7a_100000752267_100010402529 [0,3,0,0,0,0|0,0,1]=4 40712 B12R0.5 C#CCOCCOCCSCCC 34a_200000230433_100010402529 [0,3,0,0,0,0|0,0,1]=4 40713 B12R0.5 C#CCOCCOCCSCCC 62a_100000210303_100010408581 [0,3,0,0,0,0|0,0,1]=4 40714 B12R0.5 C#CCOCCOCCSCCC 62a_100010408581_100000210303 [0,3,0,0,0,0|0,0,1]=4 40715 B12R0.5 C#CCOCCOCCSCCC 7a_200000230433_100010402529 [0,3,0,0,0,0|0,0,1]=4 40716 B12R0.5 C#CCOCCOCOCCCC 34a_100000054580_100011995733 [0,3,0,0,0,0|0,0,1]=4 40717 B12R0.5 C#CCOCCSCOCCCC 62a_100010402529_100011995733 [0,3,0,0,0,0|0,0,1]=4 40718 B12R0.5 C#CCOCCSCOCCCC 62a_100011995733_100010402529 [0,3,0,0,0,0|0,0,1]=4 40719 B12R0.5 C#CCSCCCCCCCCC 62a_100000038162_100000210670 [0,3,0,0,0,0|1,0,0]=4 40720 B12R0.5 C/C=C/CCOCCCCCCC 34a_100016278192_100000210614 [0,3,0,0,0,0|0,0,1]=4 40721 B12R0.5 C/C=C/CCOCCCCCCF 34a_100016278192_100015922095 [0,3,0,0,0,0|0,0,1]=4 40722 B12R0.5 C/C=C/CCOCCCCCCO 34a_100016278192_100000766143 [0,3,0,0,0,0|0,0,1]=4 40723 B12R0.5 C/C=C/CCOCCOCCCC 34a_100016278192_100000743108 [0,3,0,0,0,0|0,0,0]=3 40724 B12R0.5 C/C=C/CCOCCOCCOC 34a_100016278192_100000695917 [0,3,0,0,0,0|0,0,1]=4 40725 B12R0.5 C/C=C/CNCCCCCCCC 34a_100000229939_100102629194 [0,3,0,0,0,0|1,0,0]=4 40726 B12R0.5 C/C=C/CNCCCOCCCC 34a_200000211371_100102629194 [0,3,0,0,0,0|0,0,0]=3 40727 B12R0.5 C/C=C/CNCCCOCCCO 34a_100011310245_100102629194 [0,3,0,0,0,0|1,0,0]=4 40728 B12R0.5 C/C=C/CNCCCOCCOC 34a_100000206027_100102629194 [0,3,0,0,0,0|1,0,0]=4 40729 B12R0.5 C/C=C/CNCCOCCOCC 34a_100102712874_100102629194 [0,3,0,0,0,0|0,0,1]=4 40730 B12R0.5 C/C=C/COCCCCCCCC 34a_100000210232_100102629194 [0,3,0,0,0,0|1,0,0]=4 40731 B12R0.5 C/C=C/COCCCCCCCC 34a_100016270725_100000210759 [0,3,0,0,0,0|1,0,0]=4 40732 B12R0.5 C/C=C/COCCCCCCCC 7a_100000210232_100102629194 [0,3,0,0,0,0|1,0,0]=4 40733 B12R0.5 C/C=C/COCCCOCCCC 34a_200011215613_100102629194 [0,3,0,0,0,0|0,0,0]=3 40734 B12R0.5 C/C=C/COCCCOCCCC 7a_200011215613_100102629194 [0,3,0,0,0,0|0,0,0]=3 40735 B12R0.5 C/C=C/COCCCOCCCN 34a_100011310245_100102629194 [0,3,0,0,0,0|1,0,0]=4 40736 B12R0.5 C/C=C/COCCCOCCOC 34a_100016270725_100011216529 [0,3,0,0,0,0|1,0,0]=4 40737 B12R0.5 C/C=C/COCCNCCCCC 34a_100000224656_100102629194 [0,3,0,0,0,0|1,0,0]=4 40738 B12R0.5 C/C=C/COCCOCCCCC 34a_100011215259_100102629194 [0,3,0,0,0,0|0,0,0]=3 40739 B12R0.5 C/C=C/COCCOCCCCC 7a_100011215259_100102629194 [0,3,0,0,0,0|0,0,0]=3 40740 B12R0.5 C/C=C/COCCOCCOCC 34a_100000210240_100102629194 [0,3,0,0,0,0|0,0,1]=4 40741 B12R0.5 C/C=C/COCCOCCOCC 34a_100016270725_100011211534 [0,3,0,0,0,0|0,0,1]=4 40742 B12R0.5 C/C=C/COCCOCCOCC 7a_100000210240_100102629194 [0,3,0,0,0,0|0,0,1]=4 40743 B12R0.5 C/C=C/CSCCCCCCCC 62a_100000210759_100102629194 [0,3,0,0,0,0|1,0,0]=4 40744 B12R0.5 C/C=C/CSCCCCCCCC 62a_100102629194_100000210317 [0,3,0,0,0,0|1,0,0]=4 40745 B12R0.5 C/C=C/CSCCCOCCOC 62a_100011216529_100102629194 [0,3,0,0,0,0|1,0,0]=4 40746 B12R0.5 C/C=C/CSCCCOCCOC 62a_100102629194_100011216529 [0,3,0,0,0,0|1,0,0]=4 40747 B12R0.5 C/C=C/CSCCOCCOCC 62a_100011211534_100102629194 [0,3,0,0,0,0|0,0,1]=4 40748 B12R0.5 C/C=C/CSCCOCCOCC 62a_100102629194_100011211534 [0,3,0,0,0,0|0,0,1]=4 40749 B12R0.5 C=CCCC/C=C/COCCCC 34a_200016268473_100000210210 [0,3,0,0,0,0|0,0,1]=4 40750 B12R0.5 C=CCCC/C=C/COCCCC 7a_200016268473_100000210211 [0,3,0,0,0,0|0,0,1]=4 40751 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [0,3,0,0,0,0|1,0,0]=4 40752 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [0,3,0,0,0,0|1,0,0]=4 40753 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [0,3,0,0,0,0|1,0,0]=4 40754 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [0,3,0,0,0,0|1,0,0]=4 40755 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [0,3,0,0,0,0|1,0,0]=4 40756 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [0,3,0,0,0,0|1,0,0]=4 40757 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [0,3,0,0,0,0|1,0,0]=4 40758 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [0,3,0,0,0,0|1,0,0]=4 40759 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [0,3,0,0,0,0|1,0,0]=4 40760 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [0,3,0,0,0,0|1,0,0]=4 40761 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [0,3,0,0,0,0|1,0,0]=4 40762 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [0,3,0,0,0,0|1,0,0]=4 40763 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [0,3,0,0,0,0|1,0,0]=4 40764 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [0,3,0,0,0,0|1,0,0]=4 40765 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [0,3,0,0,0,0|1,0,0]=4 40766 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [0,3,0,0,0,0|1,0,0]=4 40767 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [0,3,0,0,0,0|1,0,0]=4 40768 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [0,3,0,0,0,0|1,0,0]=4 40769 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [0,3,0,0,0,0|1,0,0]=4 40770 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [0,3,0,0,0,0|1,0,0]=4 40771 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [0,3,0,0,0,0|1,0,0]=4 40772 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [0,3,0,0,0,0|1,0,0]=4 40773 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [0,3,0,0,0,0|1,0,0]=4 40774 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [0,3,0,0,0,0|1,0,0]=4 40775 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [0,3,0,0,0,0|1,0,0]=4 40776 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [0,3,0,0,0,0|1,0,0]=4 40777 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [0,3,0,0,0,0|1,0,0]=4 40778 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [0,3,0,0,0,0|1,0,0]=4 40779 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [0,3,0,0,0,0|1,0,0]=4 40780 B12R0.5 C=CCCCCCCOCCCBr 34a_100011217188_100011215473 [0,3,0,0,0,0|1,0,0]=4 40781 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [0,3,0,0,0,0|0,0,0]=3 40782 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [0,3,0,0,0,0|0,0,0]=3 40783 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [0,3,0,0,0,0|0,0,0]=3 40784 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [0,3,0,0,0,0|0,0,0]=3 40785 B12R0.5 C=CCCCCCCOCCCCl 34a_100000230001_100011215473 [0,3,0,0,0,0|1,0,0]=4 40786 B12R0.5 C=CCCCCCCOCCCF 34a_100000759539_100011215473 [0,3,0,0,0,0|1,0,0]=4 40787 B12R0.5 C=CCCCCCCOCCCF 34a_200011216477_100011934791 [0,3,0,0,0,0|1,0,0]=4 40788 B12R0.5 C=CCCCCCCOCCCF 7a_200011216477_100011934791 [0,3,0,0,0,0|1,0,0]=4 40789 B12R0.5 C=CCCCCCCOCCCN 34a_100000182051_100011215473 [0,3,0,0,0,0|1,0,0]=4 40790 B12R0.5 C=CCCCCCCOCCCO 34a_200011216477_100000230001 [0,3,0,0,0,0|1,0,0]=4 40791 B12R0.5 C=CCCCCCCOCCCO 7a_200011216477_100011215043 [0,3,0,0,0,0|1,0,0]=4 40792 B12R0.5 C=CCCCCCCOCCOC 34a_100000210237_100011215473 [0,3,0,0,0,0|1,0,0]=4 40793 B12R0.5 C=CCCCCCCOCCOC 34a_200011216477_100011201679 [0,3,0,0,0,0|1,0,0]=4 40794 B12R0.5 C=CCCCCCCOCCOC 7a_200011216477_100000233755 [0,3,0,0,0,0|1,0,0]=4 40795 B12R0.5 C=CCCCCCCOCCSC 34a_100000230434_100011215473 [0,3,0,0,0,0|1,0,0]=4 40796 B12R0.5 C=CCCCCCCOCCSC 34a_200011216477_100000212216 [0,3,0,0,0,0|1,0,0]=4 40797 B12R0.5 C=CCCCCCCOCCSC 7a_100000230434_100011215473 [0,3,0,0,0,0|1,0,0]=4 40798 B12R0.5 C=CCCCCCCOCCSC 7a_200011216477_100000212216 [0,3,0,0,0,0|1,0,0]=4 40799 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [0,3,0,0,0,0|0,1,0]=4 40800 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [0,3,0,0,0,0|0,1,0]=4 40801 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [0,3,0,0,0,0|1,0,0]=4 40802 B12R0.5 C=CCCCCCNCCCCO 2230a_100000750430_100000700193 [0,3,0,0,0,0|1,0,0]=4 40803 B12R0.5 C=CCCCCCNCCCCO 34a_100000750430_100000700193 [0,3,0,0,0,0|1,0,0]=4 40804 B12R0.5 C=CCCCCCNCCCOC 34a_100150723488_100000700193 [0,3,0,0,0,0|1,0,0]=4 40805 B12R0.5 C=CCCCCCNCCCSC 2230a_100000749238_100000700193 [0,3,0,0,0,0|1,0,0]=4 40806 B12R0.5 C=CCCCCCNCCOCC 2230a_102516460346_100000700193 [0,3,0,0,0,0|1,0,0]=4 40807 B12R0.5 C=CCCCCCNCCOCC 34a_102516460346_100000700193 [0,3,0,0,0,0|1,0,0]=4 40808 B12R0.5 C=CCCCCCNCCSCC 2230a_100000106463_100000700193 [0,3,0,0,0,0|1,0,0]=4 40809 B12R0.5 C=CCCCCCOC/C=C\CC 34a_100011216702_100103147603 [0,3,0,0,0,0|0,0,1]=4 40810 B12R0.5 C=CCCCCCOC/C=C\CC 34a_100016268518_100000700193 [0,3,0,0,0,0|0,0,1]=4 40811 B12R0.5 C=CCCCCCOC/C=C\CC 7a_100011216702_100103147603 [0,3,0,0,0,0|0,0,1]=4 40812 B12R0.5 C=CCCCCCOCC#CCC 34a_100000032950_100000700193 [0,3,0,0,0,0|0,0,1]=4 40813 B12R0.5 C=CCCCCCOCC#CCC 34a_100011216702_100009813939 [0,3,0,0,0,0|0,0,1]=4 40814 B12R0.5 C=CCCCCCOCC#CCC 7a_100011216702_100009813939 [0,3,0,0,0,0|0,0,1]=4 40815 B12R0.5 C=CCCCCCOCC/C=C/C 34a_100016278192_100000700193 [0,3,0,0,0,0|0,0,1]=4 40816 B12R0.5 C=CCCCCCOCCC#CC 34a_100000750427_100000700193 [0,3,0,0,0,0|0,0,1]=4 40817 B12R0.5 C=CCCCCCOCCCC#N 7a_100011216702_100000687738 [0,3,0,0,0,0|0,0,1]=4 40818 B12R0.5 C=CCCCCCOCCCC=C 34a_100000758997_100000700193 [0,3,0,0,0,0|0,0,1]=4 40819 B12R0.5 C=CCCCCCOCCCC=C 34a_100011216702_100000757094 [0,3,0,0,0,0|0,0,1]=4 40820 B12R0.5 C=CCCCCCOCCCC=C 7a_100000758997_100000700193 [0,3,0,0,0,0|0,0,1]=4 40821 B12R0.5 C=CCCCCCOCCCC=C 7a_100011216702_100000757094 [0,3,0,0,0,0|0,0,1]=4 40822 B12R0.5 C=CCCCCCOCCCC=O 7a_100011216702_200011292268 [0,3,0,0,0,0|0,0,1]=4 40823 B12R0.5 C=CCCCCCOCCCCBr 34a_100011216708_100000700193 [0,3,0,0,0,0|0,0,0]=3 40824 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [0,3,0,0,0,0|0,0,0]=3 40825 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [0,3,0,0,0,0|0,0,0]=3 40826 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [0,3,0,0,0,0|0,0,0]=3 40827 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [0,3,0,0,0,0|0,0,0]=3 40828 B12R0.5 C=CCCCCCOCCCCCl 34a_100000210776_100000700193 [0,3,0,0,0,0|0,0,0]=3 40829 B12R0.5 C=CCCCCCOCCCCCl 7a_100000210776_100000700193 [0,3,0,0,0,0|0,0,0]=3 40830 B12R0.5 C=CCCCCCOCCCCF 34a_100011216702_100000729493 [0,3,0,0,0,0|0,0,0]=3 40831 B12R0.5 C=CCCCCCOCCCCF 34a_100011995726_100000700193 [0,3,0,0,0,0|0,0,0]=3 40832 B12R0.5 C=CCCCCCOCCCCF 7a_100011216702_100000729493 [0,3,0,0,0,0|0,0,0]=3 40833 B12R0.5 C=CCCCCCOCCCCF 7a_100011995726_100000700193 [0,3,0,0,0,0|0,0,0]=3 40834 B12R0.5 C=CCCCCCOCCCCI 34a_200012148704_100000700193 [0,3,0,0,0,0|0,0,0]=3 40835 B12R0.5 C=CCCCCCOCCCCN 34a_100000750430_100000700193 [0,3,0,0,0,0|0,0,0]=3 40836 B12R0.5 C=CCCCCCOCCCCO 34a_100011216702_100011216708 [0,3,0,0,0,0|0,0,0]=3 40837 B12R0.5 C=CCCCCCOCCCCO 7a_100011216702_100000210776 [0,3,0,0,0,0|0,0,0]=3 40838 B12R0.5 C=CCCCCCOCCCNC 34a_100000213112_100000700193 [0,3,0,0,0,0|0,0,0]=3 40839 B12R0.5 C=CCCCCCOCCCOC 34a_100000740835_100000700193 [0,3,0,0,0,0|0,0,0]=3 40840 B12R0.5 C=CCCCCCOCCCOC 34a_100011216702_100000740836 [0,3,0,0,0,0|0,0,0]=3 40841 B12R0.5 C=CCCCCCOCCCOC 7a_100011216702_100000740836 [0,3,0,0,0,0|0,0,0]=3 40842 B12R0.5 C=CCCCCCOCCCSC 34a_100000690336_100000700193 [0,3,0,0,0,0|0,0,0]=3 40843 B12R0.5 C=CCCCCCOCCCSC 7a_100000690336_100000700193 [0,3,0,0,0,0|0,0,0]=3 40844 B12R0.5 C=CCCCCCOCCOCC 34a_100000210136_100000700193 [0,3,0,0,0,0|0,0,0]=3 40845 B12R0.5 C=CCCCCCOCCOCC 34a_100011216702_100000210147 [0,3,0,0,0,0|0,0,0]=3 40846 B12R0.5 C=CCCCCCOCCOCC 7a_100000210136_100000700193 [0,3,0,0,0,0|0,0,0]=3 40847 B12R0.5 C=CCCCCCOCCOCC 7a_100011216702_100011215890 [0,3,0,0,0,0|0,0,0]=3 40848 B12R0.5 C=CCCCCCOCCSCC 34a_100000212035_100000700193 [0,3,0,0,0,0|0,0,0]=3 40849 B12R0.5 C=CCCCCCOCCSCC 34a_100011216702_100000757381 [0,3,0,0,0,0|0,0,0]=3 40850 B12R0.5 C=CCCCCCOCCSCC 7a_100000212035_100000700193 [0,3,0,0,0,0|0,0,0]=3 40851 B12R0.5 C=CCCCCCOCCSCC 7a_100011216702_100000757381 [0,3,0,0,0,0|0,0,0]=3 40852 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [0,3,0,0,0,0|0,1,0]=4 40853 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [0,3,0,0,0,0|0,1,0]=4 40854 B12R0.5 C=CCCCCCSCCCCF 62a_100000700193_100000729493 [0,3,0,0,0,0|0,1,0]=4 40855 B12R0.5 C=CCCCCCSCCCCF 62a_100000729493_100000700193 [0,3,0,0,0,0|0,1,0]=4 40856 B12R0.5 C=CCCCCCSCCCCO 62a_100000210776_100000700193 [0,3,0,0,0,0|0,1,0]=4 40857 B12R0.5 C=CCCCCCSCCCCO 62a_100000700193_100000210776 [0,3,0,0,0,0|0,1,0]=4 40858 B12R0.5 C=CCCCCCSCCCOC 62a_100000700193_100000709357 [0,3,0,0,0,0|0,1,0]=4 40859 B12R0.5 C=CCCCCCSCCCOC 62a_100000709357_100000700193 [0,3,0,0,0,0|0,1,0]=4 40860 B12R0.5 C=CCCCCCSCCOCC 62a_100000210147_100000700193 [0,3,0,0,0,0|0,1,0]=4 40861 B12R0.5 C=CCCCCCSCCOCC 62a_100000700193_100011215890 [0,3,0,0,0,0|0,1,0]=4 40862 B12R0.5 C=CCCCCCSCCSCC 62a_100000700193_100000757381 [0,3,0,0,0,0|0,1,0]=4 40863 B12R0.5 C=CCCCCCSCCSCC 62a_100000757381_100000700193 [0,3,0,0,0,0|0,1,0]=4 40864 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [0,3,0,0,0,0|1,0,0]=4 40865 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [0,3,0,0,0,0|1,0,0]=4 40866 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [0,3,0,0,0,0|1,0,0]=4 40867 B12R0.5 C=CCCCCNCCCCCF 2230a_100000703577_100000729378 [0,3,0,0,0,0|1,0,0]=4 40868 B12R0.5 C=CCCCCNCCCCCF 34a_100000703577_100000729378 [0,3,0,0,0,0|1,0,0]=4 40869 B12R0.5 C=CCCCCNCCCCCO 2230a_100000703577_100000746330 [0,3,0,0,0,0|1,0,0]=4 40870 B12R0.5 C=CCCCCNCCCCCO 2230a_100000762737_100011215482 [0,3,0,0,0,0|1,0,0]=4 40871 B12R0.5 C=CCCCCNCCCCCO 34a_100000703577_100000746330 [0,3,0,0,0,0|1,0,0]=4 40872 B12R0.5 C=CCCCCNCCCCCO 34a_100000762737_100011215482 [0,3,0,0,0,0|1,0,0]=4 40873 B12R0.5 C=CCCCCNCCCCOC 2230a_100000703577_100000730899 [0,3,0,0,0,0|1,0,0]=4 40874 B12R0.5 C=CCCCCNCCCCOC 34a_100000703577_100000755781 [0,3,0,0,0,0|1,0,0]=4 40875 B12R0.5 C=CCCCCNCCCOCC 2230a_100000210961_100011215482 [0,3,0,0,0,0|1,0,0]=4 40876 B12R0.5 C=CCCCCNCCCOCC 2230a_100000703577_100012232248 [0,3,0,0,0,0|1,0,0]=4 40877 B12R0.5 C=CCCCCNCCCOCC 34a_100000210961_100011215482 [0,3,0,0,0,0|1,0,0]=4 40878 B12R0.5 C=CCCCCNCCCOCC 34a_100000703577_100012232248 [0,3,0,0,0,0|1,0,0]=4 40879 B12R0.5 C=CCCCCNCCOCCC 2230a_100000703577_100011215938 [0,3,0,0,0,0|1,0,0]=4 40880 B12R0.5 C=CCCCCNCCOCCC 2230a_100161115042_100011215482 [0,3,0,0,0,0|1,0,0]=4 40881 B12R0.5 C=CCCCCNCCOCCC 34a_100000703577_100011215938 [0,3,0,0,0,0|1,0,0]=4 40882 B12R0.5 C=CCCCCNCCOCCC 34a_100161115042_100011215482 [0,3,0,0,0,0|1,0,0]=4 40883 B12R0.5 C=CCCCCNCCSCCC 2230a_100020603323_100011215482 [0,3,0,0,0,0|1,0,0]=4 40884 B12R0.5 C=CCCCCNCOCCCC 2230a_100000703577_100011995733 [0,3,0,0,0,0|0,0,0]=3 40885 B12R0.5 C=CCCCCNCOCCCC 34a_100000703577_100011995733 [0,3,0,0,0,0|0,0,0]=3 40886 B12R0.5 C=CCCCCNCOCCOC 2230a_100000703577_100000231047 [0,3,0,0,0,0|1,0,0]=4 40887 B12R0.5 C=CCCCCOC/C=C/CCC 34a_100016278788_100011215482 [0,3,0,0,0,0|0,0,1]=4 40888 B12R0.5 C=CCCCCOC/C=C/CCC 7a_100016278788_100011215482 [0,3,0,0,0,0|0,0,1]=4 40889 B12R0.5 C=CCCCCOCC#CCCC 34a_100000034806_100011215482 [0,3,0,0,0,0|0,0,1]=4 40890 B12R0.5 C=CCCCCOCC#CCCC 7a_100000034806_100011215482 [0,3,0,0,0,0|0,0,1]=4 40891 B12R0.5 C=CCCCCOCC/C=C\CC 34a_100000766645_100015370543 [0,3,0,0,0,0|0,0,1]=4 40892 B12R0.5 C=CCCCCOCC/C=C\CC 34a_100016288707_100011215482 [0,3,0,0,0,0|0,0,1]=4 40893 B12R0.5 C=CCCCCOCC/C=C\CC 7a_100000766645_100015370543 [0,3,0,0,0,0|0,0,1]=4 40894 B12R0.5 C=CCCCCOCC/C=C\CC 7a_100016288707_100011215482 [0,3,0,0,0,0|0,0,1]=4 40895 B12R0.5 C=CCCCCOCCC#CCC 34a_100000036655_100011215482 [0,3,0,0,0,0|0,0,1]=4 40896 B12R0.5 C=CCCCCOCCC#CCC 7a_100000036655_100011215482 [0,3,0,0,0,0|0,0,1]=4 40897 B12R0.5 C=CCCCCOCCCC=CC 34a_100020645299_100011215482 [0,3,0,0,0,0|0,0,1]=4 40898 B12R0.5 C=CCCCCOCCCCC#N 7a_100000766645_100000211819 [0,3,0,0,0,0|0,0,1]=4 40899 B12R0.5 C=CCCCCOCCCCC=C 34a_100000766645_100011215482 [0,3,0,0,0,0|0,0,1]=4 40900 B12R0.5 C=CCCCCOCCCCC=C 7a_100000766645_100011215482 [0,3,0,0,0,0|0,0,1]=4 40901 B12R0.5 C=CCCCCOCCCCC=O 7a_100000766645_100000139335 [0,3,0,0,0,0|0,0,1]=4 40902 B12R0.5 C=CCCCCOCCCCCBr 34a_100000746331_100011215482 [0,3,0,0,0,0|0,0,0]=3 40903 B12R0.5 C=CCCCCOCCCCCBr 7a_100000746331_100011215482 [0,3,0,0,0,0|0,0,0]=3 40904 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [0,3,0,0,0,0|0,0,0]=3 40905 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [0,3,0,0,0,0|0,0,0]=3 40906 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [0,3,0,0,0,0|0,0,0]=3 40907 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [0,3,0,0,0,0|0,0,0]=3 40908 B12R0.5 C=CCCCCOCCCCCCl 34a_100000746330_100011215482 [0,3,0,0,0,0|0,0,0]=3 40909 B12R0.5 C=CCCCCOCCCCCCl 7a_100000746330_100011215482 [0,3,0,0,0,0|0,0,0]=3 40910 B12R0.5 C=CCCCCOCCCCCF 34a_100000766645_100000729378 [0,3,0,0,0,0|0,0,0]=3 40911 B12R0.5 C=CCCCCOCCCCCF 7a_100000766645_100000729378 [0,3,0,0,0,0|0,0,0]=3 40912 B12R0.5 C=CCCCCOCCCCCI 34a_200012148887_100011215482 [0,3,0,0,0,0|0,0,0]=3 40913 B12R0.5 C=CCCCCOCCCCCI 7a_200012148887_100011215482 [0,3,0,0,0,0|0,0,0]=3 40914 B12R0.5 C=CCCCCOCCCCCN 34a_100000762737_100011215482 [0,3,0,0,0,0|0,0,0]=3 40915 B12R0.5 C=CCCCCOCCCCCO 34a_100000766645_100000746330 [0,3,0,0,0,0|0,0,0]=3 40916 B12R0.5 C=CCCCCOCCCCCO 7a_100000766645_100000746330 [0,3,0,0,0,0|0,0,0]=3 40917 B12R0.5 C=CCCCCOCCCCOC 34a_100000740925_100011215482 [0,3,0,0,0,0|0,0,0]=3 40918 B12R0.5 C=CCCCCOCCCCOC 34a_100000766645_100000755781 [0,3,0,0,0,0|0,0,0]=3 40919 B12R0.5 C=CCCCCOCCCCOC 7a_100000766645_100000730899 [0,3,0,0,0,0|0,0,0]=3 40920 B12R0.5 C=CCCCCOCCCCSC 34a_100011217163_100011215482 [0,3,0,0,0,0|0,0,0]=3 40921 B12R0.5 C=CCCCCOCCCCSC 7a_100011217163_100011215482 [0,3,0,0,0,0|0,0,0]=3 40922 B12R0.5 C=CCCCCOCCCOCC 34a_100000757476_100011215482 [0,3,0,0,0,0|0,0,0]=3 40923 B12R0.5 C=CCCCCOCCCOCC 34a_100000766645_100012232248 [0,3,0,0,0,0|0,0,0]=3 40924 B12R0.5 C=CCCCCOCCCOCC 7a_100000757476_100011215482 [0,3,0,0,0,0|0,0,0]=3 40925 B12R0.5 C=CCCCCOCCCOCC 7a_100000766645_100012232248 [0,3,0,0,0,0|0,0,0]=3 40926 B12R0.5 C=CCCCCOCCCSCC 34a_100011216438_100011215482 [0,3,0,0,0,0|0,0,0]=3 40927 B12R0.5 C=CCCCCOCCCSCC 7a_100011216438_100011215482 [0,3,0,0,0,0|0,0,0]=3 40928 B12R0.5 C=CCCCCOCCOCCBr 34a_100000692535_100011215482 [0,3,0,0,0,0|0,0,1]=4 40929 B12R0.5 C=CCCCCOCCOCCBr 7a_100000692535_100011215482 [0,3,0,0,0,0|0,0,1]=4 40930 B12R0.5 C=CCCCCOCCOCCC 34a_100000752267_100011215482 [0,3,0,0,0,0|0,0,0]=3 40931 B12R0.5 C=CCCCCOCCOCCC 34a_100000766645_100011215938 [0,3,0,0,0,0|0,0,0]=3 40932 B12R0.5 C=CCCCCOCCOCCC 7a_100000752267_100011215482 [0,3,0,0,0,0|0,0,0]=3 40933 B12R0.5 C=CCCCCOCCOCCC 7a_100000766645_100011215938 [0,3,0,0,0,0|0,0,0]=3 40934 B12R0.5 C=CCCCCOCCOCCCl 34a_100011215305_100011215482 [0,3,0,0,0,0|0,0,1]=4 40935 B12R0.5 C=CCCCCOCCOCCCl 7a_100011215305_100011215482 [0,3,0,0,0,0|0,0,1]=4 40936 B12R0.5 C=CCCCCOCCOCCF 34a_200015357709_100011215482 [0,3,0,0,0,0|0,0,1]=4 40937 B12R0.5 C=CCCCCOCCOCCF 7a_200015357709_100011215482 [0,3,0,0,0,0|0,0,1]=4 40938 B12R0.5 C=CCCCCOCCOCCI 34a_100012149058_100011215482 [0,3,0,0,0,0|0,0,1]=4 40939 B12R0.5 C=CCCCCOCCOCCI 7a_100012149058_100011215482 [0,3,0,0,0,0|0,0,1]=4 40940 B12R0.5 C=CCCCCOCCOCCN 34a_100000211614_100011215482 [0,3,0,0,0,0|0,0,1]=4 40941 B12R0.5 C=CCCCCOCCOCCO 34a_100000766645_100000692535 [0,3,0,0,0,0|0,0,1]=4 40942 B12R0.5 C=CCCCCOCCOCCO 7a_100000766645_100011215305 [0,3,0,0,0,0|0,0,1]=4 40943 B12R0.5 C=CCCCCOCCSCCC 34a_200000230433_100011215482 [0,3,0,0,0,0|0,0,0]=3 40944 B12R0.5 C=CCCCCOCCSCCC 7a_200000230433_100011215482 [0,3,0,0,0,0|0,0,0]=3 40945 B12R0.5 C=CCCCCOCOCCCC 34a_100000766645_100011995733 [0,3,0,0,0,0|0,0,0]=3 40946 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [0,3,0,0,0,0|0,1,0]=4 40947 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [0,3,0,0,0,0|0,1,0]=4 40948 B12R0.5 C=CCCCCSCCCCCF 62a_100000729378_100011215482 [0,3,0,0,0,0|0,1,0]=4 40949 B12R0.5 C=CCCCCSCCCCCF 62a_100011215482_100000729378 [0,3,0,0,0,0|0,1,0]=4 40950 B12R0.5 C=CCCCCSCCCCCO 62a_100000746330_100011215482 [0,3,0,0,0,0|0,1,0]=4 40951 B12R0.5 C=CCCCCSCCCCCO 62a_100011215482_100000746330 [0,3,0,0,0,0|0,1,0]=4 40952 B12R0.5 C=CCCCCSCCCCOC 62a_100000730899_100011215482 [0,3,0,0,0,0|0,1,0]=4 40953 B12R0.5 C=CCCCCSCCCCOC 62a_100011215482_100000730899 [0,3,0,0,0,0|0,1,0]=4 40954 B12R0.5 C=CCCCCSCCCOCC 62a_100011215482_100012232248 [0,3,0,0,0,0|0,1,0]=4 40955 B12R0.5 C=CCCCCSCCCOCC 62a_100012232248_100011215482 [0,3,0,0,0,0|0,1,0]=4 40956 B12R0.5 C=CCCCCSCCOCCC 62a_100011215482_100011215938 [0,3,0,0,0,0|0,1,0]=4 40957 B12R0.5 C=CCCCCSCCOCCC 62a_100011215938_100011215482 [0,3,0,0,0,0|0,1,0]=4 40958 B12R0.5 C=CCCCCSCOCCCC 62a_100011215482_100011995733 [0,3,0,0,0,0|0,0,0]=3 40959 B12R0.5 C=CCCCCSCOCCCC 62a_100011995733_100011215482 [0,3,0,0,0,0|0,0,0]=3 40960 B12R0.5 C=CCCCCSCOCCOC 62a_100000231047_100011215482 [0,3,0,0,0,0|1,0,0]=4 40961 B12R0.5 C=CCCCCSCOCCOC 62a_100011215482_100000231047 [0,3,0,0,0,0|1,0,0]=4 40962 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [0,3,0,0,0,0|1,0,0]=4 40963 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [0,3,0,0,0,0|1,0,0]=4 40964 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [0,3,0,0,0,0|1,0,0]=4 40965 B12R0.5 C=CCCCNCCOCCCC 2230a_100000700776_100000743108 [0,3,0,0,0,0|0,0,0]=3 40966 B12R0.5 C=CCCCNCCOCCCC 34a_100000700776_100000743108 [0,3,0,0,0,0|0,0,0]=3 40967 B12R0.5 C=CCCCNCCOCCOC 2230a_100000700776_100000695917 [0,3,0,0,0,0|1,0,0]=4 40968 B12R0.5 C=CCCCNCCOCCOC 2230a_100000745349_100011713584 [0,3,0,0,0,0|1,0,0]=4 40969 B12R0.5 C=CCCCNCCOCCOC 34a_100000700776_100000695917 [0,3,0,0,0,0|1,0,0]=4 40970 B12R0.5 C=CCCCNCCOCCOC 34a_100000745349_100000757094 [0,3,0,0,0,0|1,0,0]=4 40971 B12R0.5 C=CCCCNCCSCCCC 2230a_100025743550_100011713584 [0,3,0,0,0,0|0,1,0]=4 40972 B12R0.5 C=CCCCOC/C=C/CCCC 34a_200016272032_100000757094 [0,3,0,0,0,0|0,0,1]=4 40973 B12R0.5 C=CCCCOC/C=C/CCCC 7a_200016272032_100000757094 [0,3,0,0,0,0|0,0,1]=4 40974 B12R0.5 C=CCCCOCC#CCCCC 34a_200000034558_100000757094 [0,3,0,0,0,0|0,0,1]=4 40975 B12R0.5 C=CCCCOCC#CCCCC 7a_200000034558_100000757094 [0,3,0,0,0,0|0,0,1]=4 40976 B12R0.5 C=CCCCOCCC#CCCC 34a_100000042726_100000757094 [0,3,0,0,0,0|0,0,1]=4 40977 B12R0.5 C=CCCCOCCC#CCCC 7a_100000042726_100000757094 [0,3,0,0,0,0|0,0,1]=4 40978 B12R0.5 C=CCCCOCCC/C=C/CC 34a_100016287902_100000757094 [0,3,0,0,0,0|0,0,1]=4 40979 B12R0.5 C=CCCCOCCC/C=C/CC 7a_100016287902_100000757094 [0,3,0,0,0,0|0,0,1]=4 40980 B12R0.5 C=CCCCOCCCCCC#N 7a_100000758997_100009813376 [0,3,0,0,0,0|0,0,1]=4 40981 B12R0.5 C=CCCCOCCCCCC=O 7a_100000758997_100000139337 [0,3,0,0,0,0|0,0,1]=4 40982 B12R0.5 C=CCCCOCCCCCCBr 34a_100011215345_100000757094 [0,3,0,0,0,0|0,0,1]=4 40983 B12R0.5 C=CCCCOCCCCCCBr 7a_100011215345_100000757094 [0,3,0,0,0,0|0,0,1]=4 40984 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [0,3,0,0,0,0|0,0,1]=4 40985 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [0,3,0,0,0,0|0,0,1]=4 40986 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [0,3,0,0,0,0|0,0,1]=4 40987 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [0,3,0,0,0,0|0,0,1]=4 40988 B12R0.5 C=CCCCOCCCCCCCl 34a_100000766143_100000757094 [0,3,0,0,0,0|0,0,1]=4 40989 B12R0.5 C=CCCCOCCCCCCCl 7a_100000766143_100000757094 [0,3,0,0,0,0|0,0,1]=4 40990 B12R0.5 C=CCCCOCCCCCCF 34a_100000732779_100000757094 [0,3,0,0,0,0|0,0,1]=4 40991 B12R0.5 C=CCCCOCCCCCCF 34a_100000758997_100015922095 [0,3,0,0,0,0|0,0,1]=4 40992 B12R0.5 C=CCCCOCCCCCCF 7a_100000732779_100000757094 [0,3,0,0,0,0|0,0,1]=4 40993 B12R0.5 C=CCCCOCCCCCCF 7a_100000758997_100015922095 [0,3,0,0,0,0|0,0,1]=4 40994 B12R0.5 C=CCCCOCCCCCCN 34a_100000686447_100000757094 [0,3,0,0,0,0|0,0,1]=4 40995 B12R0.5 C=CCCCOCCCCCCO 34a_100000758997_100000766143 [0,3,0,0,0,0|0,0,1]=4 40996 B12R0.5 C=CCCCOCCCCCCO 7a_100000758997_100000766143 [0,3,0,0,0,0|0,0,1]=4 40997 B12R0.5 C=CCCCOCCCCCNC 34a_100000722520_100000757094 [0,3,0,0,0,0|0,0,1]=4 40998 B12R0.5 C=CCCCOCCOCCCC 34a_100000210238_100000757094 [0,3,0,0,0,0|0,0,0]=3 40999 B12R0.5 C=CCCCOCCOCCCC 34a_100000758997_100000743108 [0,3,0,0,0,0|0,0,0]=3 41000 B12R0.5 C=CCCCOCCOCCCC 7a_100000210238_100000757094 [0,3,0,0,0,0|0,0,0]=3 41001 B12R0.5 C=CCCCOCCOCCCC 7a_100000758997_100000743108 [0,3,0,0,0,0|0,0,0]=3 41002 B12R0.5 C=CCCCOCCOCCNC 34a_100000228057_100000757094 [0,3,0,0,0,0|0,0,1]=4 41003 B12R0.5 C=CCCCOCCOCCOC 34a_100000758997_100000695917 [0,3,0,0,0,0|0,0,1]=4 41004 B12R0.5 C=CCCCOCCOCCOC 34a_100011215163_100000757094 [0,3,0,0,0,0|0,0,1]=4 41005 B12R0.5 C=CCCCOCCOCCOC 7a_100000758997_100000695917 [0,3,0,0,0,0|0,0,1]=4 41006 B12R0.5 C=CCCCOCCOCCOC 7a_100011215163_100000757094 [0,3,0,0,0,0|0,0,1]=4 41007 B12R0.5 C=CCCCOCCSCCCC 34a_200000230436_100000757094 [0,3,0,0,0,0|0,0,1]=4 41008 B12R0.5 C=CCCCOCCSCCCC 7a_200000230436_100000757094 [0,3,0,0,0,0|0,0,1]=4 41009 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [0,3,0,0,0,0|1,0,0]=4 41010 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [0,3,0,0,0,0|1,0,0]=4 41011 B12R0.5 C=CCCCSCCOCCCC 62a_100000743108_100000757094 [0,3,0,0,0,0|0,0,0]=3 41012 B12R0.5 C=CCCCSCCOCCCC 62a_100011713584_100000743108 [0,3,0,0,0,0|0,0,0]=3 41013 B12R0.5 C=CCCCSCCOCCOC 62a_100000695917_100000757094 [0,3,0,0,0,0|1,0,0]=4 41014 B12R0.5 C=CCCCSCCOCCOC 62a_100011713584_100000695917 [0,3,0,0,0,0|1,0,0]=4 41015 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [0,3,0,0,0,0|1,0,0]=4 41016 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [0,3,0,0,0,0|1,0,0]=4 41017 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [0,3,0,0,0,0|1,0,0]=4 41018 B12R0.5 C=CCCNCCCOCCCC 2230a_200000211371_100000754431 [0,3,0,0,0,0|0,0,0]=3 41019 B12R0.5 C=CCCNCCCOCCCC 34a_200000211371_100000754431 [0,3,0,0,0,0|0,0,0]=3 41020 B12R0.5 C=CCCNCCCOCCCO 2230a_100011310245_100000754431 [0,3,0,0,0,0|1,0,0]=4 41021 B12R0.5 C=CCCNCCCOCCCO 34a_100011310245_100000754431 [0,3,0,0,0,0|1,0,0]=4 41022 B12R0.5 C=CCCNCCCOCCOC 2230a_100000206027_100000754431 [0,3,0,0,0,0|1,0,0]=4 41023 B12R0.5 C=CCCNCCCOCCOC 2230a_100015191253_100011216529 [0,3,0,0,0,0|1,0,0]=4 41024 B12R0.5 C=CCCNCCCOCCOC 34a_100000206027_100000754431 [0,3,0,0,0,0|1,0,0]=4 41025 B12R0.5 C=CCCNCCOCCOCC 2230a_100015191253_100011211534 [0,3,0,0,0,0|0,0,1]=4 41026 B12R0.5 C=CCCNCCOCCOCC 2230a_100102712874_100000754431 [0,3,0,0,0,0|0,0,1]=4 41027 B12R0.5 C=CCCNCCOCCOCC 34a_100102712874_100000754431 [0,3,0,0,0,0|0,0,1]=4 41028 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [0,3,0,0,0,0|1,0,0]=4 41029 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [0,3,0,0,0,0|1,0,0]=4 41030 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [0,3,0,0,0,0|1,0,0]=4 41031 B12R0.5 C=CCCOCCCOCCCC 34a_200011215613_100000754431 [0,3,0,0,0,0|0,0,0]=3 41032 B12R0.5 C=CCCOCCCOCCCC 7a_200011215613_100000754431 [0,3,0,0,0,0|0,0,0]=3 41033 B12R0.5 C=CCCOCCCOCCCN 34a_100011310245_100000754431 [0,3,0,0,0,0|1,0,0]=4 41034 B12R0.5 C=CCCOCCCOCCOC 34a_100011205117_100011216529 [0,3,0,0,0,0|1,0,0]=4 41035 B12R0.5 C=CCCOCCNCCCCC 34a_100000224656_100000754431 [0,3,0,0,0,0|1,0,0]=4 41036 B12R0.5 C=CCCOCCOCCCCC 34a_100011215259_100000754431 [0,3,0,0,0,0|0,0,0]=3 41037 B12R0.5 C=CCCOCCOCCCCC 7a_100011215259_100000754431 [0,3,0,0,0,0|0,0,0]=3 41038 B12R0.5 C=CCCOCCOCCOCC 34a_100000210240_100000754431 [0,3,0,0,0,0|0,0,1]=4 41039 B12R0.5 C=CCCOCCOCCOCC 34a_100011205117_100011211534 [0,3,0,0,0,0|0,0,1]=4 41040 B12R0.5 C=CCCOCCOCCOCC 7a_100000210240_100000754431 [0,3,0,0,0,0|0,0,1]=4 41041 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [0,3,0,0,0,0|1,0,0]=4 41042 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [0,3,0,0,0,0|1,0,0]=4 41043 B12R0.5 C=CCCSCCCOCCOC 62a_100000754431_100011216529 [0,3,0,0,0,0|1,0,0]=4 41044 B12R0.5 C=CCCSCCCOCCOC 62a_100011216529_100000754431 [0,3,0,0,0,0|1,0,0]=4 41045 B12R0.5 C=CCCSCCOCCOCC 62a_100000754431_100011211534 [0,3,0,0,0,0|0,0,1]=4 41046 B12R0.5 C=CCCSCCOCCOCC 62a_100011211534_100000754431 [0,3,0,0,0,0|0,0,1]=4 41047 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [0,3,0,0,0,0|1,0,0]=4 41048 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [0,3,0,0,0,0|1,0,0]=4 41049 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [0,3,0,0,0,0|1,0,0]=4 41050 B12R0.5 C=CCNCCOCCOCCC 2230a_200011904461_100000210623 [0,3,0,0,0,0|0,0,1]=4 41051 B12R0.5 C=CCNCCOCCOCCC 34a_200011904461_100015514636 [0,3,0,0,0,0|0,0,1]=4 41052 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [0,3,0,0,0,0|1,0,0]=4 41053 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [0,3,0,0,0,0|1,0,0]=4 41054 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [0,3,0,0,0,0|1,0,0]=4 41055 B12R0.5 C=CCOCCCCNCCCC 34a_200011216965_100015514636 [0,3,0,0,0,0|1,0,0]=4 41056 B12R0.5 C=CCOCCCCOCCCC 34a_200000760531_100015514636 [0,3,0,0,0,0|0,0,0]=3 41057 B12R0.5 C=CCOCCCCOCCCC 7a_200000760531_100015514636 [0,3,0,0,0,0|0,0,0]=3 41058 B12R0.5 C=CCOCCCOCCCOC 34a_200011215475_100015514636 [0,3,0,0,0,0|0,0,1]=4 41059 B12R0.5 C=CCOCCCOCCCOC 7a_200011215475_100015514636 [0,3,0,0,0,0|0,0,1]=4 41060 B12R0.5 C=CCOCCOCCCCCC 34a_100000037705_100000210314 [0,3,0,0,0,0|0,0,1]=4 41061 B12R0.5 C=CCOCCOCCCCCC 34a_100000691444_100015514636 [0,3,0,0,0,0|0,0,1]=4 41062 B12R0.5 C=CCOCCOCCCCCC 7a_100000037705_100000210314 [0,3,0,0,0,0|0,0,1]=4 41063 B12R0.5 C=CCOCCOCCCCCC 7a_100000691444_100015514636 [0,3,0,0,0,0|0,0,1]=4 41064 B12R0.5 C=CCOCCOCCCCCF 34a_100000037705_100000729378 [0,3,0,0,0,0|0,0,1]=4 41065 B12R0.5 C=CCOCCOCCCCCF 7a_100000037705_100000729378 [0,3,0,0,0,0|0,0,1]=4 41066 B12R0.5 C=CCOCCOCCCCCO 34a_100000037705_100000746330 [0,3,0,0,0,0|0,0,1]=4 41067 B12R0.5 C=CCOCCOCCCCCO 7a_100000037705_100000746330 [0,3,0,0,0,0|0,0,1]=4 41068 B12R0.5 C=CCOCCOCCCCOC 34a_100000037705_100000755781 [0,3,0,0,0,0|0,0,1]=4 41069 B12R0.5 C=CCOCCOCCCCOC 7a_100000037705_100000730899 [0,3,0,0,0,0|0,0,1]=4 41070 B12R0.5 C=CCOCCOCCCOCC 34a_100000037705_100012232248 [0,3,0,0,0,0|0,0,1]=4 41071 B12R0.5 C=CCOCCOCCCOCC 7a_100000037705_100012232248 [0,3,0,0,0,0|0,0,1]=4 41072 B12R0.5 C=CCOCCOCCOCCC 34a_100000037705_100011215938 [0,3,0,0,0,0|0,0,1]=4 41073 B12R0.5 C=CCOCCOCCOCCC 34a_100000065479_100000210303 [0,3,0,0,0,0|0,0,1]=4 41074 B12R0.5 C=CCOCCOCCOCCC 7a_100000037705_100011215938 [0,3,0,0,0,0|0,0,1]=4 41075 B12R0.5 C=CCOCCOCCOCCC 7a_100000065479_100000210303 [0,3,0,0,0,0|0,0,1]=4 41076 B12R0.5 C=CCOCCOCOCCCC 34a_100000037705_100011995733 [0,3,0,0,0,0|0,0,1]=4 41077 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [0,3,0,0,0,0|1,0,0]=4 41078 B12R0.5 C=COCCCCOCCCCC 34a_100000031558_100000718602 [0,3,0,0,0,0|0,0,0]=3 41079 B12R0.5 C=COCCCCOCCCCC 7a_100000031558_100000210326 [0,3,0,0,0,0|0,0,0]=3 41080 B12R0.5 C=COCCCCOCCCCF 34a_100000031558_100000729493 [0,3,0,0,0,0|0,0,1]=4 41081 B12R0.5 C=COCCCCOCCCCF 7a_100000031558_100000729493 [0,3,0,0,0,0|0,0,1]=4 41082 B12R0.5 C=COCCCCOCCCCO 34a_100000031558_100011216708 [0,3,0,0,0,0|0,0,1]=4 41083 B12R0.5 C=COCCCCOCCCCO 7a_100000031558_100000210776 [0,3,0,0,0,0|0,0,1]=4 41084 B12R0.5 C=COCCCCOCCCOC 34a_100000031558_100000740836 [0,3,0,0,0,0|0,0,1]=4 41085 B12R0.5 C=COCCCCOCCCOC 7a_100000031558_100000740836 [0,3,0,0,0,0|0,0,1]=4 41086 B12R0.5 C=COCCCCOCCOCC 34a_100000031558_100000210147 [0,3,0,0,0,0|0,0,1]=4 41087 B12R0.5 C=COCCCCOCCOCC 7a_100000031558_100011215890 [0,3,0,0,0,0|0,0,1]=4 41088 B12R0.5 C=COCCCCOCCSCC 34a_100000031558_100000757381 [0,3,0,0,0,0|0,0,1]=4 41089 B12R0.5 C=COCCCCOCCSCC 7a_100000031558_100000757381 [0,3,0,0,0,0|0,0,1]=4 41090 B12R0.5 C=COCCCNCOCCCC 2230a_100000210767_100011995733 [0,3,0,0,0,0|0,0,1]=4 41091 B12R0.5 C=COCCCNCOCCCC 34a_100000210767_100011995733 [0,3,0,0,0,0|0,0,1]=4 41092 B12R0.5 C=COCCOCCOCCCC 34a_100000033082_100000743108 [0,3,0,0,0,0|0,0,1]=4 41093 B12R0.5 C=COCCOCCOCCCC 34a_100000039918_100000210210 [0,3,0,0,0,0|0,0,1]=4 41094 B12R0.5 C=COCCOCCOCCCC 34a_100000210238_100000039644 [0,3,0,0,0,0|0,0,1]=4 41095 B12R0.5 C=COCCOCCOCCCC 7a_100000039918_100000210211 [0,3,0,0,0,0|0,0,1]=4 41096 B12R0.5 C=COCCOCCOCCCC 7a_100000210238_100000039644 [0,3,0,0,0,0|0,0,1]=4 41097 B12R0.5 C=COCCSCCOCCCC 62a_100000039644_100000743108 [0,3,0,0,0,0|0,0,1]=4 41098 B12R0.5 C=COCCSCCOCCCC 62a_100000743108_100000039644 [0,3,0,0,0,0|0,0,1]=4 41099 B12R0.5 CC#CCCOCCCCCCC 34a_100000750427_100000210614 [0,3,0,0,0,0|0,0,1]=4 41100 B12R0.5 CC#CCCOCCCCCCF 34a_100000750427_100015922095 [0,3,0,0,0,0|0,0,1]=4 41101 B12R0.5 CC#CCCOCCCCCCO 34a_100000750427_100000766143 [0,3,0,0,0,0|0,0,1]=4 41102 B12R0.5 CC#CCCOCCOCCCC 34a_100000750427_100000743108 [0,3,0,0,0,0|0,0,0]=3 41103 B12R0.5 CC#CCCOCCOCCOC 34a_100000750427_100000695917 [0,3,0,0,0,0|0,0,1]=4 41104 B12R0.5 CC#CCNCCCCCCCC 2230a_100000229939_100000748600 [0,3,0,0,0,0|1,0,0]=4 41105 B12R0.5 CC#CCNCCCCCCCC 2230a_100000685387_100000210759 [0,3,0,0,0,0|1,0,0]=4 41106 B12R0.5 CC#CCNCCCCCCCC 34a_100000229939_100000748600 [0,3,0,0,0,0|1,0,0]=4 41107 B12R0.5 CC#CCNCCCCCCCC 34a_100000685387_100000210759 [0,3,0,0,0,0|1,0,0]=4 41108 B12R0.5 CC#CCNCCCOCCCC 2230a_200000211371_100000748600 [0,3,0,0,0,0|0,0,0]=3 41109 B12R0.5 CC#CCNCCCOCCCC 34a_200000211371_100000748600 [0,3,0,0,0,0|0,0,0]=3 41110 B12R0.5 CC#CCNCCCOCCCO 2230a_100011310245_100000748600 [0,3,0,0,0,0|1,0,0]=4 41111 B12R0.5 CC#CCNCCCOCCCO 34a_100011310245_100000748600 [0,3,0,0,0,0|1,0,0]=4 41112 B12R0.5 CC#CCNCCCOCCOC 2230a_100000206027_100000748600 [0,3,0,0,0,0|1,0,0]=4 41113 B12R0.5 CC#CCNCCCOCCOC 2230a_100000685387_100011216529 [0,3,0,0,0,0|1,0,0]=4 41114 B12R0.5 CC#CCNCCCOCCOC 34a_100000206027_100000748600 [0,3,0,0,0,0|1,0,0]=4 41115 B12R0.5 CC#CCNCCCOCCOC 34a_100000685387_100011216529 [0,3,0,0,0,0|1,0,0]=4 41116 B12R0.5 CC#CCNCCOCCOCC 2230a_100000685387_100011211534 [0,3,0,0,0,0|0,0,1]=4 41117 B12R0.5 CC#CCNCCOCCOCC 2230a_100102712874_100000748600 [0,3,0,0,0,0|0,0,1]=4 41118 B12R0.5 CC#CCNCCOCCOCC 34a_100000685387_100011211534 [0,3,0,0,0,0|0,0,1]=4 41119 B12R0.5 CC#CCNCCOCCOCC 34a_100102712874_100000748600 [0,3,0,0,0,0|0,0,1]=4 41120 B12R0.5 CC#CCOCCCCCCCC 34a_100000210232_100000748600 [0,3,0,0,0,0|1,0,0]=4 41121 B12R0.5 CC#CCOCCCCCCCC 34a_100000761923_100000210759 [0,3,0,0,0,0|1,0,0]=4 41122 B12R0.5 CC#CCOCCCCCCCC 7a_100000210232_100000748600 [0,3,0,0,0,0|1,0,0]=4 41123 B12R0.5 CC#CCOCCCOCCCC 34a_200011215613_100000748600 [0,3,0,0,0,0|0,0,0]=3 41124 B12R0.5 CC#CCOCCCOCCCC 7a_200011215613_100000748600 [0,3,0,0,0,0|0,0,0]=3 41125 B12R0.5 CC#CCOCCCOCCCN 34a_100011310245_100000748600 [0,3,0,0,0,0|1,0,0]=4 41126 B12R0.5 CC#CCOCCCOCCOC 34a_100000761923_100011216529 [0,3,0,0,0,0|1,0,0]=4 41127 B12R0.5 CC#CCOCCNCCCCC 34a_100000224656_100000748600 [0,3,0,0,0,0|1,0,0]=4 41128 B12R0.5 CC#CCOCCOCCCCC 34a_100011215259_100000748600 [0,3,0,0,0,0|0,0,0]=3 41129 B12R0.5 CC#CCOCCOCCCCC 7a_100011215259_100000748600 [0,3,0,0,0,0|0,0,0]=3 41130 B12R0.5 CC#CCOCCOCCOCC 34a_100000210240_100000748600 [0,3,0,0,0,0|0,0,1]=4 41131 B12R0.5 CC#CCOCCOCCOCC 34a_100000761923_100011211534 [0,3,0,0,0,0|0,0,1]=4 41132 B12R0.5 CC#CCOCCOCCOCC 7a_100000210240_100000748600 [0,3,0,0,0,0|0,0,1]=4 41133 B12R0.5 CC#CCSCCCCCCCC 62a_100000210759_100000748600 [0,3,0,0,0,0|1,0,0]=4 41134 B12R0.5 CC#CCSCCCCCCCC 62a_100000748600_100000210317 [0,3,0,0,0,0|1,0,0]=4 41135 B12R0.5 CC#CCSCCCOCCOC 62a_100000748600_100011216529 [0,3,0,0,0,0|1,0,0]=4 41136 B12R0.5 CC#CCSCCCOCCOC 62a_100011216529_100000748600 [0,3,0,0,0,0|1,0,0]=4 41137 B12R0.5 CC#CCSCCOCCOCC 62a_100000748600_100011211534 [0,3,0,0,0,0|0,0,1]=4 41138 B12R0.5 CC#CCSCCOCCOCC 62a_100011211534_100000748600 [0,3,0,0,0,0|0,0,1]=4 41139 B12R0.5 CC/C=C/CCCOCCCC#N 7a_100016287902_100000687738 [0,3,0,0,0,0|0,0,1]=4 41140 B12R0.5 CC/C=C/CCCOCCCC=O 7a_100016287902_200011292268 [0,3,0,0,0,0|0,0,1]=4 41141 B12R0.5 CC/C=C/CCCOCCCCC 34a_100016287902_100000718602 [0,3,0,0,0,0|0,0,0]=3 41142 B12R0.5 CC/C=C/CCCOCCCCC 7a_100016287902_100000210326 [0,3,0,0,0,0|0,0,0]=3 41143 B12R0.5 CC/C=C/CCCOCCCCF 34a_100016287902_100000729493 [0,3,0,0,0,0|0,0,0]=3 41144 B12R0.5 CC/C=C/CCCOCCCCF 7a_100016287902_100000729493 [0,3,0,0,0,0|0,0,0]=3 41145 B12R0.5 CC/C=C/CCCOCCCCO 34a_100016287902_100011216708 [0,3,0,0,0,0|0,0,0]=3 41146 B12R0.5 CC/C=C/CCCOCCCCO 7a_100016287902_100000210776 [0,3,0,0,0,0|0,0,0]=3 41147 B12R0.5 CC/C=C/CCCOCCCOC 34a_100016287902_100000740836 [0,3,0,0,0,0|0,0,0]=3 41148 B12R0.5 CC/C=C/CCCOCCCOC 7a_100016287902_100000740836 [0,3,0,0,0,0|0,0,0]=3 41149 B12R0.5 CC/C=C/CCCOCCOCC 34a_100016287902_100000210147 [0,3,0,0,0,0|0,0,0]=3 41150 B12R0.5 CC/C=C/CCCOCCOCC 7a_100016287902_100011215890 [0,3,0,0,0,0|0,0,0]=3 41151 B12R0.5 CC/C=C/CCCOCCSCC 34a_100016287902_100000757381 [0,3,0,0,0,0|0,0,0]=3 41152 B12R0.5 CC/C=C/CCCOCCSCC 7a_100016287902_100000757381 [0,3,0,0,0,0|0,0,0]=3 41153 B12R0.5 CC/C=C\CCCCCCCNC 269862a_106832991636_200025770492 [0,3,0,0,0,0|1,0,0]=4 41154 B12R0.5 CC/C=C\CCCCCNCCC 269862a_100020643023_100016288537 [0,3,0,0,0,0|1,0,0]=4 41155 B12R0.5 CC/C=C\CCCCCOCCC 34a_100016268722_100000210303 [0,3,0,0,0,0|1,0,0]=4 41156 B12R0.5 CC/C=C\CCCCCOCCC 7a_100016268722_100000210303 [0,3,0,0,0,0|1,0,0]=4 41157 B12R0.5 CC/C=C\CCCCOCCCC 34a_100016287862_100000210210 [0,3,0,0,0,0|0,0,0]=3 41158 B12R0.5 CC/C=C\CCCCOCCCC 7a_100016287862_100000210211 [0,3,0,0,0,0|0,0,0]=3 41159 B12R0.5 CC/C=C\CCCCOCCCF 34a_100016287862_100011934791 [0,3,0,0,0,0|1,0,0]=4 41160 B12R0.5 CC/C=C\CCCCOCCCF 7a_100016287862_100011934791 [0,3,0,0,0,0|1,0,0]=4 41161 B12R0.5 CC/C=C\CCCCOCCCO 34a_100016287862_100000230001 [0,3,0,0,0,0|1,0,0]=4 41162 B12R0.5 CC/C=C\CCCCOCCCO 7a_100016287862_100011215043 [0,3,0,0,0,0|1,0,0]=4 41163 B12R0.5 CC/C=C\CCCCOCCOC 34a_100016287862_100011201679 [0,3,0,0,0,0|1,0,0]=4 41164 B12R0.5 CC/C=C\CCCCOCCOC 7a_100016287862_100000233755 [0,3,0,0,0,0|1,0,0]=4 41165 B12R0.5 CC/C=C\CCCCOCCSC 34a_100016287862_100000212216 [0,3,0,0,0,0|1,0,0]=4 41166 B12R0.5 CC/C=C\CCCCOCCSC 7a_100016287862_100000212216 [0,3,0,0,0,0|1,0,0]=4 41167 B12R0.5 CC/C=C\CCNCCCCCC 2230a_100000210581_100015370543 [0,3,0,0,0,0|1,0,0]=4 41168 B12R0.5 CC/C=C\CCNCCCCCO 2230a_100000762737_100015370543 [0,3,0,0,0,0|1,0,0]=4 41169 B12R0.5 CC/C=C\CCNCCCCCO 34a_100000762737_100015370543 [0,3,0,0,0,0|1,0,0]=4 41170 B12R0.5 CC/C=C\CCNCCCOCC 2230a_100000210961_100015370543 [0,3,0,0,0,0|1,0,0]=4 41171 B12R0.5 CC/C=C\CCNCCCOCC 34a_100000210961_100015370543 [0,3,0,0,0,0|1,0,0]=4 41172 B12R0.5 CC/C=C\CCNCCOCCC 2230a_100161115042_100015370543 [0,3,0,0,0,0|1,0,0]=4 41173 B12R0.5 CC/C=C\CCNCCOCCC 34a_100161115042_100015370543 [0,3,0,0,0,0|1,0,0]=4 41174 B12R0.5 CC/C=C\CCNCCSCCC 2230a_100020603323_100015370543 [0,3,0,0,0,0|1,0,0]=4 41175 B12R0.5 CC/C=C\CCOC/C=C/CCC 34a_100016278788_100015370543 [0,3,0,0,0,0|0,0,1]=4 41176 B12R0.5 CC/C=C\CCOC/C=C/CCC 7a_100016278788_100015370543 [0,3,0,0,0,0|0,0,1]=4 41177 B12R0.5 CC/C=C\CCOCC#CCCC 34a_100000034806_100015370543 [0,3,0,0,0,0|0,0,1]=4 41178 B12R0.5 CC/C=C\CCOCC#CCCC 7a_100000034806_100015370543 [0,3,0,0,0,0|0,0,1]=4 41179 B12R0.5 CC/C=C\CCOCC/C=C\CC 34a_100016288707_100015370543 [0,3,0,0,0,0|0,0,1]=4 41180 B12R0.5 CC/C=C\CCOCC/C=C\CC 7a_100016288707_100015370543 [0,3,0,0,0,0|0,0,1]=4 41181 B12R0.5 CC/C=C\CCOCCCCC#N 7a_100016288707_100000211819 [0,3,0,0,0,0|0,0,1]=4 41182 B12R0.5 CC/C=C\CCOCCCCC=O 7a_100016288707_100000139335 [0,3,0,0,0,0|0,0,1]=4 41183 B12R0.5 CC/C=C\CCOCCCCCBr 34a_100000746331_100015370543 [0,3,0,0,0,0|0,0,0]=3 41184 B12R0.5 CC/C=C\CCOCCCCCBr 7a_100000746331_100015370543 [0,3,0,0,0,0|0,0,0]=3 41185 B12R0.5 CC/C=C\CCOCCCCCC 34a_100000210259_100015370543 [0,3,0,0,0,0|0,0,0]=3 41186 B12R0.5 CC/C=C\CCOCCCCCC 34a_100016288707_100000210314 [0,3,0,0,0,0|0,0,0]=3 41187 B12R0.5 CC/C=C\CCOCCCCCC 7a_100000210259_100015370543 [0,3,0,0,0,0|0,0,0]=3 41188 B12R0.5 CC/C=C\CCOCCCCCC 7a_100016288707_100000210314 [0,3,0,0,0,0|0,0,0]=3 41189 B12R0.5 CC/C=C\CCOCCCCCCl 34a_100000746330_100015370543 [0,3,0,0,0,0|0,0,0]=3 41190 B12R0.5 CC/C=C\CCOCCCCCCl 7a_100000746330_100015370543 [0,3,0,0,0,0|0,0,0]=3 41191 B12R0.5 CC/C=C\CCOCCCCCF 34a_100016288707_100000729378 [0,3,0,0,0,0|0,0,0]=3 41192 B12R0.5 CC/C=C\CCOCCCCCF 7a_100016288707_100000729378 [0,3,0,0,0,0|0,0,0]=3 41193 B12R0.5 CC/C=C\CCOCCCCCI 34a_200012148887_100015370543 [0,3,0,0,0,0|0,0,0]=3 41194 B12R0.5 CC/C=C\CCOCCCCCI 7a_200012148887_100015370543 [0,3,0,0,0,0|0,0,0]=3 41195 B12R0.5 CC/C=C\CCOCCCCCN 34a_100000762737_100015370543 [0,3,0,0,0,0|0,0,0]=3 41196 B12R0.5 CC/C=C\CCOCCCCCO 34a_100016288707_100000746330 [0,3,0,0,0,0|0,0,0]=3 41197 B12R0.5 CC/C=C\CCOCCCCCO 7a_100016288707_100000746330 [0,3,0,0,0,0|0,0,0]=3 41198 B12R0.5 CC/C=C\CCOCCCCOC 34a_100000740925_100015370543 [0,3,0,0,0,0|0,0,0]=3 41199 B12R0.5 CC/C=C\CCOCCCCOC 34a_100016288707_100000755781 [0,3,0,0,0,0|0,0,0]=3 41200 B12R0.5 CC/C=C\CCOCCCCOC 7a_100016288707_100000730899 [0,3,0,0,0,0|0,0,0]=3 41201 B12R0.5 CC/C=C\CCOCCCCSC 34a_100011217163_100015370543 [0,3,0,0,0,0|0,0,0]=3 41202 B12R0.5 CC/C=C\CCOCCCCSC 7a_100011217163_100015370543 [0,3,0,0,0,0|0,0,0]=3 41203 B12R0.5 CC/C=C\CCOCCCOCC 34a_100000757476_100015370543 [0,3,0,0,0,0|0,0,0]=3 41204 B12R0.5 CC/C=C\CCOCCCOCC 34a_100016288707_100012232248 [0,3,0,0,0,0|0,0,0]=3 41205 B12R0.5 CC/C=C\CCOCCCOCC 7a_100000757476_100015370543 [0,3,0,0,0,0|0,0,0]=3 41206 B12R0.5 CC/C=C\CCOCCCOCC 7a_100016288707_100012232248 [0,3,0,0,0,0|0,0,0]=3 41207 B12R0.5 CC/C=C\CCOCCCSCC 34a_100011216438_100015370543 [0,3,0,0,0,0|0,0,0]=3 41208 B12R0.5 CC/C=C\CCOCCCSCC 7a_100011216438_100015370543 [0,3,0,0,0,0|0,0,0]=3 41209 B12R0.5 CC/C=C\CCOCCOCCBr 34a_100000692535_100015370543 [0,3,0,0,0,0|0,0,1]=4 41210 B12R0.5 CC/C=C\CCOCCOCCBr 7a_100000692535_100015370543 [0,3,0,0,0,0|0,0,1]=4 41211 B12R0.5 CC/C=C\CCOCCOCCC 34a_100000752267_100015370543 [0,3,0,0,0,0|0,0,0]=3 41212 B12R0.5 CC/C=C\CCOCCOCCC 34a_100016288707_100011215938 [0,3,0,0,0,0|0,0,0]=3 41213 B12R0.5 CC/C=C\CCOCCOCCC 7a_100000752267_100015370543 [0,3,0,0,0,0|0,0,0]=3 41214 B12R0.5 CC/C=C\CCOCCOCCC 7a_100016288707_100011215938 [0,3,0,0,0,0|0,0,0]=3 41215 B12R0.5 CC/C=C\CCOCCOCCCl 34a_100011215305_100015370543 [0,3,0,0,0,0|0,0,1]=4 41216 B12R0.5 CC/C=C\CCOCCOCCCl 7a_100011215305_100015370543 [0,3,0,0,0,0|0,0,1]=4 41217 B12R0.5 CC/C=C\CCOCCOCCF 34a_200015357709_100015370543 [0,3,0,0,0,0|0,0,1]=4 41218 B12R0.5 CC/C=C\CCOCCOCCF 7a_200015357709_100015370543 [0,3,0,0,0,0|0,0,1]=4 41219 B12R0.5 CC/C=C\CCOCCOCCI 34a_100012149058_100015370543 [0,3,0,0,0,0|0,0,1]=4 41220 B12R0.5 CC/C=C\CCOCCOCCI 7a_100012149058_100015370543 [0,3,0,0,0,0|0,0,1]=4 41221 B12R0.5 CC/C=C\CCOCCOCCN 34a_100000211614_100015370543 [0,3,0,0,0,0|0,0,1]=4 41222 B12R0.5 CC/C=C\CCOCCOCCO 34a_100016288707_100000692535 [0,3,0,0,0,0|0,0,1]=4 41223 B12R0.5 CC/C=C\CCOCCOCCO 7a_100016288707_100011215305 [0,3,0,0,0,0|0,0,1]=4 41224 B12R0.5 CC/C=C\CCOCCSCCC 34a_200000230433_100015370543 [0,3,0,0,0,0|0,0,0]=3 41225 B12R0.5 CC/C=C\CCOCCSCCC 7a_200000230433_100015370543 [0,3,0,0,0,0|0,0,0]=3 41226 B12R0.5 CC/C=C\CCOCOCCCC 34a_100016288707_100011995733 [0,3,0,0,0,0|0,0,0]=3 41227 B12R0.5 CC/C=C\CCSCCCCCC 62a_100000210314_100015370543 [0,3,0,0,0,0|0,1,0]=4 41228 B12R0.5 CC/C=C\CCSCCCCCC 62a_100015370543_100000210757 [0,3,0,0,0,0|0,1,0]=4 41229 B12R0.5 CC/C=C\CCSCCCCCF 62a_100000729378_100015370543 [0,3,0,0,0,0|0,1,0]=4 41230 B12R0.5 CC/C=C\CCSCCCCCF 62a_100015370543_100000729378 [0,3,0,0,0,0|0,1,0]=4 41231 B12R0.5 CC/C=C\CCSCCCCCO 62a_100000746330_100015370543 [0,3,0,0,0,0|0,1,0]=4 41232 B12R0.5 CC/C=C\CCSCCCCCO 62a_100015370543_100000746330 [0,3,0,0,0,0|0,1,0]=4 41233 B12R0.5 CC/C=C\CCSCCCCOC 62a_100000730899_100015370543 [0,3,0,0,0,0|0,1,0]=4 41234 B12R0.5 CC/C=C\CCSCCCCOC 62a_100015370543_100000730899 [0,3,0,0,0,0|0,1,0]=4 41235 B12R0.5 CC/C=C\CCSCCCOCC 62a_100012232248_100015370543 [0,3,0,0,0,0|0,1,0]=4 41236 B12R0.5 CC/C=C\CCSCCCOCC 62a_100015370543_100012232248 [0,3,0,0,0,0|0,1,0]=4 41237 B12R0.5 CC/C=C\CCSCCOCCC 62a_100011215938_100015370543 [0,3,0,0,0,0|0,1,0]=4 41238 B12R0.5 CC/C=C\CCSCCOCCC 62a_100015370543_100011215938 [0,3,0,0,0,0|0,1,0]=4 41239 B12R0.5 CC/C=C\CCSCOCCCC 62a_100011995733_100015370543 [0,3,0,0,0,0|0,0,0]=3 41240 B12R0.5 CC/C=C\CCSCOCCCC 62a_100015370543_100011995733 [0,3,0,0,0,0|0,0,0]=3 41241 B12R0.5 CC/C=C\CCSCOCCOC 62a_100000231047_100015370543 [0,3,0,0,0,0|1,0,0]=4 41242 B12R0.5 CC/C=C\CCSCOCCOC 62a_100015370543_100000231047 [0,3,0,0,0,0|1,0,0]=4 41243 B12R0.5 CC/C=C\CNCCCCCCC 2230a_100000229938_100103147603 [0,3,0,0,0,0|1,0,0]=4 41244 B12R0.5 CC/C=C\CNCCOCCOC 2230a_100000745349_100103147603 [0,3,0,0,0,0|1,0,0]=4 41245 B12R0.5 CC/C=C\CNCCOCCOC 34a_100000745349_100103147603 [0,3,0,0,0,0|1,0,0]=4 41246 B12R0.5 CC/C=C\CNCCSCCCC 2230a_100025743550_100103147603 [0,3,0,0,0,0|0,1,0]=4 41247 B12R0.5 CC/C=C\COC/C=C/CCCC 34a_200016272032_100103147603 [0,3,0,0,0,0|0,0,1]=4 41248 B12R0.5 CC/C=C\COC/C=C/CCCC 7a_200016272032_100103147603 [0,3,0,0,0,0|0,0,1]=4 41249 B12R0.5 CC/C=C\COCC#CCCCC 34a_200000034558_100103147603 [0,3,0,0,0,0|0,0,1]=4 41250 B12R0.5 CC/C=C\COCC#CCCCC 7a_200000034558_100103147603 [0,3,0,0,0,0|0,0,1]=4 41251 B12R0.5 CC/C=C\COCCC#CCCC 34a_100000042726_100103147603 [0,3,0,0,0,0|0,0,1]=4 41252 B12R0.5 CC/C=C\COCCC#CCCC 7a_100000042726_100103147603 [0,3,0,0,0,0|0,0,1]=4 41253 B12R0.5 CC/C=C\COCCC/C=C/CC 34a_100016287902_100103147603 [0,3,0,0,0,0|0,0,1]=4 41254 B12R0.5 CC/C=C\COCCC/C=C/CC 7a_100016287902_100103147603 [0,3,0,0,0,0|0,0,1]=4 41255 B12R0.5 CC/C=C\COCCCCCCBr 34a_100011215345_100103147603 [0,3,0,0,0,0|0,0,1]=4 41256 B12R0.5 CC/C=C\COCCCCCCBr 7a_100011215345_100103147603 [0,3,0,0,0,0|0,0,1]=4 41257 B12R0.5 CC/C=C\COCCCCCCC 34a_100000210272_100103147603 [0,3,0,0,0,0|0,0,1]=4 41258 B12R0.5 CC/C=C\COCCCCCCC 34a_100016268518_100000210614 [0,3,0,0,0,0|0,0,1]=4 41259 B12R0.5 CC/C=C\COCCCCCCC 7a_100000210272_100103147603 [0,3,0,0,0,0|0,0,1]=4 41260 B12R0.5 CC/C=C\COCCCCCCCl 34a_100000766143_100103147603 [0,3,0,0,0,0|0,0,1]=4 41261 B12R0.5 CC/C=C\COCCCCCCCl 7a_100000766143_100103147603 [0,3,0,0,0,0|0,0,1]=4 41262 B12R0.5 CC/C=C\COCCCCCCF 34a_100000732779_100103147603 [0,3,0,0,0,0|0,0,1]=4 41263 B12R0.5 CC/C=C\COCCCCCCF 34a_100016268518_100015922095 [0,3,0,0,0,0|0,0,1]=4 41264 B12R0.5 CC/C=C\COCCCCCCF 7a_100000732779_100103147603 [0,3,0,0,0,0|0,0,1]=4 41265 B12R0.5 CC/C=C\COCCCCCCN 34a_100000686447_100103147603 [0,3,0,0,0,0|0,0,1]=4 41266 B12R0.5 CC/C=C\COCCCCCCO 34a_100016268518_100000766143 [0,3,0,0,0,0|0,0,1]=4 41267 B12R0.5 CC/C=C\COCCCCCNC 34a_100000722520_100103147603 [0,3,0,0,0,0|0,0,1]=4 41268 B12R0.5 CC/C=C\COCCOCCCC 34a_100000210238_100103147603 [0,3,0,0,0,0|0,0,0]=3 41269 B12R0.5 CC/C=C\COCCOCCCC 34a_100016268518_100000743108 [0,3,0,0,0,0|0,0,0]=3 41270 B12R0.5 CC/C=C\COCCOCCCC 7a_100000210238_100103147603 [0,3,0,0,0,0|0,0,0]=3 41271 B12R0.5 CC/C=C\COCCOCCNC 34a_100000228057_100103147603 [0,3,0,0,0,0|0,0,1]=4 41272 B12R0.5 CC/C=C\COCCOCCOC 34a_100011215163_100103147603 [0,3,0,0,0,0|0,0,1]=4 41273 B12R0.5 CC/C=C\COCCOCCOC 34a_100016268518_100000695917 [0,3,0,0,0,0|0,0,1]=4 41274 B12R0.5 CC/C=C\COCCOCCOC 7a_100011215163_100103147603 [0,3,0,0,0,0|0,0,1]=4 41275 B12R0.5 CC/C=C\COCCSCCCC 34a_200000230436_100103147603 [0,3,0,0,0,0|0,0,1]=4 41276 B12R0.5 CC/C=C\COCCSCCCC 7a_200000230436_100103147603 [0,3,0,0,0,0|0,0,1]=4 41277 B12R0.5 CC/C=C\CSCCCCCCC 62a_100000210614_100103147603 [0,3,0,0,0,0|1,0,0]=4 41278 B12R0.5 CC/C=C\CSCCCCCCC 62a_100103147603_100000210316 [0,3,0,0,0,0|1,0,0]=4 41279 B12R0.5 CC/C=C\CSCCOCCCC 62a_100000743108_100103147603 [0,3,0,0,0,0|0,0,0]=3 41280 B12R0.5 CC/C=C\CSCCOCCCC 62a_100103147603_100000743108 [0,3,0,0,0,0|0,0,0]=3 41281 B12R0.5 CC/C=C\CSCCOCCOC 62a_100000695917_100103147603 [0,3,0,0,0,0|1,0,0]=4 41282 B12R0.5 CC/C=C\CSCCOCCOC 62a_100103147603_100000695917 [0,3,0,0,0,0|1,0,0]=4 41283 B12R0.5 CC=C=CCCOCCCCCC 34a_100011020354_100000210314 [0,3,0,0,0,0|0,0,1]=4 41284 B12R0.5 CC=C=CCCOCCCCCF 34a_100011020354_100000729378 [0,3,0,0,0,0|0,0,1]=4 41285 B12R0.5 CC=C=CCCOCCCCCO 34a_100011020354_100000746330 [0,3,0,0,0,0|0,0,1]=4 41286 B12R0.5 CC=C=CCCOCCCCOC 34a_100011020354_100000755781 [0,3,0,0,0,0|0,0,1]=4 41287 B12R0.5 CC=C=CCCOCCCOCC 34a_100011020354_100012232248 [0,3,0,0,0,0|0,0,1]=4 41288 B12R0.5 CC=C=CCCOCCOCCC 34a_100011020354_100011215938 [0,3,0,0,0,0|0,0,1]=4 41289 B12R0.5 CC=C=CCCOCOCCCC 34a_100011020354_100011995733 [0,3,0,0,0,0|0,0,1]=4 41290 B12R0.5 CC=CCCCOCC/C=C\CC 34a_100020645299_100015370543 [0,3,0,0,0,0|0,0,1]=4 41291 B12R0.5 CC=CCCCOCCCCCC 34a_100020645299_100000210314 [0,3,0,0,0,0|0,0,0]=3 41292 B12R0.5 CC=CCCCOCCCCCF 34a_100020645299_100000729378 [0,3,0,0,0,0|0,0,0]=3 41293 B12R0.5 CC=CCCCOCCCCCO 34a_100020645299_100000746330 [0,3,0,0,0,0|0,0,0]=3 41294 B12R0.5 CC=CCCCOCCCCOC 34a_100020645299_100000755781 [0,3,0,0,0,0|0,0,0]=3 41295 B12R0.5 CC=CCCCOCCCOCC 34a_100020645299_100012232248 [0,3,0,0,0,0|0,0,0]=3 41296 B12R0.5 CC=CCCCOCCOCCC 34a_100020645299_100011215938 [0,3,0,0,0,0|0,0,0]=3 41297 B12R0.5 CC=CCCCOCCOCCO 34a_100020645299_100000692535 [0,3,0,0,0,0|0,0,1]=4 41298 B12R0.5 CC=CCCCOCOCCCC 34a_100020645299_100011995733 [0,3,0,0,0,0|0,0,0]=3 41299 B12R0.5 CC=CCNCCCCCCCC 2230a_100000229939_100000070051 [0,3,0,0,0,0|1,0,0]=4 41300 B12R0.5 CC=CCNCCCCCCCC 34a_100000229939_100000070051 [0,3,0,0,0,0|1,0,0]=4 41301 B12R0.5 CC=CCNCCCOCCCC 2230a_200000211371_100000070051 [0,3,0,0,0,0|0,0,0]=3 41302 B12R0.5 CC=CCNCCCOCCCC 34a_200000211371_100000070051 [0,3,0,0,0,0|0,0,0]=3 41303 B12R0.5 CC=CCNCCCOCCCO 2230a_100011310245_100000070051 [0,3,0,0,0,0|1,0,0]=4 41304 B12R0.5 CC=CCNCCCOCCCO 34a_100011310245_100000070051 [0,3,0,0,0,0|1,0,0]=4 41305 B12R0.5 CC=CCNCCCOCCOC 2230a_100000206027_100000070051 [0,3,0,0,0,0|1,0,0]=4 41306 B12R0.5 CC=CCNCCCOCCOC 34a_100000206027_100000070051 [0,3,0,0,0,0|1,0,0]=4 41307 B12R0.5 CC=CCNCCOCCOCC 2230a_100102712874_100000070051 [0,3,0,0,0,0|0,0,1]=4 41308 B12R0.5 CC=CCNCCOCCOCC 34a_100102712874_100000070051 [0,3,0,0,0,0|0,0,1]=4 41309 B12R0.5 CC=CCOCCCCCCCC 34a_100000210232_100000070051 [0,3,0,0,0,0|1,0,0]=4 41310 B12R0.5 CC=CCOCCCCCCCC 7a_100000210232_100000070051 [0,3,0,0,0,0|1,0,0]=4 41311 B12R0.5 CC=CCOCCCOCCCC 34a_200011215613_100000070051 [0,3,0,0,0,0|0,0,0]=3 41312 B12R0.5 CC=CCOCCCOCCCC 7a_200011215613_100000070051 [0,3,0,0,0,0|0,0,0]=3 41313 B12R0.5 CC=CCOCCCOCCCN 34a_100011310245_100000070051 [0,3,0,0,0,0|1,0,0]=4 41314 B12R0.5 CC=CCOCCNCCCCC 34a_100000224656_100000070051 [0,3,0,0,0,0|1,0,0]=4 41315 B12R0.5 CC=CCOCCOCCCCC 34a_100011215259_100000070051 [0,3,0,0,0,0|0,0,0]=3 41316 B12R0.5 CC=CCOCCOCCCCC 7a_100011215259_100000070051 [0,3,0,0,0,0|0,0,0]=3 41317 B12R0.5 CC=CCOCCOCCOCC 34a_100000210240_100000070051 [0,3,0,0,0,0|0,0,1]=4 41318 B12R0.5 CC=CCOCCOCCOCC 7a_100000210240_100000070051 [0,3,0,0,0,0|0,0,1]=4 41319 B12R0.5 CC=CCSCCCCCCCC 62a_100000070051_100000210317 [0,3,0,0,0,0|1,0,0]=4 41320 B12R0.5 CC=CCSCCCCCCCC 62a_100000210759_100000070051 [0,3,0,0,0,0|1,0,0]=4 41321 B12R0.5 CC=CCSCCCOCCOC 62a_100000070051_100011216529 [0,3,0,0,0,0|1,0,0]=4 41322 B12R0.5 CC=CCSCCCOCCOC 62a_100011216529_100000070051 [0,3,0,0,0,0|1,0,0]=4 41323 B12R0.5 CC=CCSCCOCCOCC 62a_100000070051_100011211534 [0,3,0,0,0,0|0,0,1]=4 41324 B12R0.5 CC=CCSCCOCCOCC 62a_100011211534_100000070051 [0,3,0,0,0,0|0,0,1]=4 41325 B12R0.5 CCC#CCCCCCCNCC 2230a_100015525214_200000036426 [0,3,0,0,0,0|1,0,0]=4 41326 B12R0.5 CCC#CCCCCCCOCC 34a_100121572206_200000036426 [0,3,0,0,0,0|1,0,0]=4 41327 B12R0.5 CCC#CCCCCCCSCC 62a_100000210202_200000036426 [0,3,0,0,0,0|1,0,0]=4 41328 B12R0.5 CCC#CCCCCCCSCC 62a_200000036426_100000210202 [0,3,0,0,0,0|1,0,0]=4 41329 B12R0.5 CCC#CCCOCC/C=C\CC 34a_100000036655_100015370543 [0,3,0,0,0,0|0,0,1]=4 41330 B12R0.5 CCC#CCCOCC/C=C\CC 7a_100000036655_100015370543 [0,3,0,0,0,0|0,0,1]=4 41331 B12R0.5 CCC#CCCOCCCCC#N 7a_100000036655_100000211819 [0,3,0,0,0,0|0,0,1]=4 41332 B12R0.5 CCC#CCCOCCCCC=O 7a_100000036655_100000139335 [0,3,0,0,0,0|0,0,1]=4 41333 B12R0.5 CCC#CCCOCCCCCC 34a_100000036655_100000210314 [0,3,0,0,0,0|0,0,0]=3 41334 B12R0.5 CCC#CCCOCCCCCC 7a_100000036655_100000210314 [0,3,0,0,0,0|0,0,0]=3 41335 B12R0.5 CCC#CCCOCCCCCF 34a_100000036655_100000729378 [0,3,0,0,0,0|0,0,0]=3 41336 B12R0.5 CCC#CCCOCCCCCF 7a_100000036655_100000729378 [0,3,0,0,0,0|0,0,0]=3 41337 B12R0.5 CCC#CCCOCCCCCO 34a_100000036655_100000746330 [0,3,0,0,0,0|0,0,0]=3 41338 B12R0.5 CCC#CCCOCCCCCO 7a_100000036655_100000746330 [0,3,0,0,0,0|0,0,0]=3 41339 B12R0.5 CCC#CCCOCCCCOC 34a_100000036655_100000755781 [0,3,0,0,0,0|0,0,0]=3 41340 B12R0.5 CCC#CCCOCCCCOC 7a_100000036655_100000730899 [0,3,0,0,0,0|0,0,0]=3 41341 B12R0.5 CCC#CCCOCCCOCC 34a_100000036655_100012232248 [0,3,0,0,0,0|0,0,0]=3 41342 B12R0.5 CCC#CCCOCCCOCC 7a_100000036655_100012232248 [0,3,0,0,0,0|0,0,0]=3 41343 B12R0.5 CCC#CCCOCCOCCC 34a_100000036655_100011215938 [0,3,0,0,0,0|0,0,0]=3 41344 B12R0.5 CCC#CCCOCCOCCC 7a_100000036655_100011215938 [0,3,0,0,0,0|0,0,0]=3 41345 B12R0.5 CCC#CCCOCCOCCO 34a_100000036655_100000692535 [0,3,0,0,0,0|0,0,1]=4 41346 B12R0.5 CCC#CCCOCCOCCO 7a_100000036655_100011215305 [0,3,0,0,0,0|0,0,1]=4 41347 B12R0.5 CCC#CCCOCOCCCC 34a_100000036655_100011995733 [0,3,0,0,0,0|0,0,0]=3 41348 B12R0.5 CCC#CCNCCCCCCC 2230a_100000229938_100009813939 [0,3,0,0,0,0|1,0,0]=4 41349 B12R0.5 CCC#CCNCCOCCOC 2230a_100000745349_100009813939 [0,3,0,0,0,0|1,0,0]=4 41350 B12R0.5 CCC#CCNCCOCCOC 34a_100000745349_100009813939 [0,3,0,0,0,0|1,0,0]=4 41351 B12R0.5 CCC#CCNCCSCCCC 2230a_100025743550_100009813939 [0,3,0,0,0,0|0,1,0]=4 41352 B12R0.5 CCC#CCOC/C=C/CCCC 34a_200016272032_100009813939 [0,3,0,0,0,0|0,0,1]=4 41353 B12R0.5 CCC#CCOC/C=C/CCCC 7a_200016272032_100009813939 [0,3,0,0,0,0|0,0,1]=4 41354 B12R0.5 CCC#CCOCC#CCCCC 34a_200000034558_100009813939 [0,3,0,0,0,0|0,0,1]=4 41355 B12R0.5 CCC#CCOCC#CCCCC 7a_200000034558_100009813939 [0,3,0,0,0,0|0,0,1]=4 41356 B12R0.5 CCC#CCOCCC#CCCC 34a_100000042726_100009813939 [0,3,0,0,0,0|0,0,1]=4 41357 B12R0.5 CCC#CCOCCC#CCCC 7a_100000042726_100009813939 [0,3,0,0,0,0|0,0,1]=4 41358 B12R0.5 CCC#CCOCCC/C=C/CC 34a_100016287902_100009813939 [0,3,0,0,0,0|0,0,1]=4 41359 B12R0.5 CCC#CCOCCC/C=C/CC 7a_100016287902_100009813939 [0,3,0,0,0,0|0,0,1]=4 41360 B12R0.5 CCC#CCOCCCCCCBr 34a_100011215345_100009813939 [0,3,0,0,0,0|0,0,1]=4 41361 B12R0.5 CCC#CCOCCCCCCBr 7a_100011215345_100009813939 [0,3,0,0,0,0|0,0,1]=4 41362 B12R0.5 CCC#CCOCCCCCCC 34a_100000032950_100000210614 [0,3,0,0,0,0|0,0,1]=4 41363 B12R0.5 CCC#CCOCCCCCCC 34a_100000210272_100009813939 [0,3,0,0,0,0|0,0,1]=4 41364 B12R0.5 CCC#CCOCCCCCCC 7a_100000210272_100009813939 [0,3,0,0,0,0|0,0,1]=4 41365 B12R0.5 CCC#CCOCCCCCCCl 34a_100000766143_100009813939 [0,3,0,0,0,0|0,0,1]=4 41366 B12R0.5 CCC#CCOCCCCCCCl 7a_100000766143_100009813939 [0,3,0,0,0,0|0,0,1]=4 41367 B12R0.5 CCC#CCOCCCCCCF 34a_100000032950_100015922095 [0,3,0,0,0,0|0,0,1]=4 41368 B12R0.5 CCC#CCOCCCCCCF 34a_100000732779_100009813939 [0,3,0,0,0,0|0,0,1]=4 41369 B12R0.5 CCC#CCOCCCCCCF 7a_100000732779_100009813939 [0,3,0,0,0,0|0,0,1]=4 41370 B12R0.5 CCC#CCOCCCCCCN 34a_100000686447_100009813939 [0,3,0,0,0,0|0,0,1]=4 41371 B12R0.5 CCC#CCOCCCCCCO 34a_100000032950_100000766143 [0,3,0,0,0,0|0,0,1]=4 41372 B12R0.5 CCC#CCOCCCCCNC 34a_100000722520_100009813939 [0,3,0,0,0,0|0,0,1]=4 41373 B12R0.5 CCC#CCOCCOCCCC 34a_100000032950_100000743108 [0,3,0,0,0,0|0,0,0]=3 41374 B12R0.5 CCC#CCOCCOCCCC 34a_100000210238_100009813939 [0,3,0,0,0,0|0,0,0]=3 41375 B12R0.5 CCC#CCOCCOCCCC 7a_100000210238_100009813939 [0,3,0,0,0,0|0,0,0]=3 41376 B12R0.5 CCC#CCOCCOCCNC 34a_100000228057_100009813939 [0,3,0,0,0,0|0,0,1]=4 41377 B12R0.5 CCC#CCOCCOCCOC 34a_100000032950_100000695917 [0,3,0,0,0,0|0,0,1]=4 41378 B12R0.5 CCC#CCOCCOCCOC 34a_100011215163_100009813939 [0,3,0,0,0,0|0,0,1]=4 41379 B12R0.5 CCC#CCOCCOCCOC 7a_100011215163_100009813939 [0,3,0,0,0,0|0,0,1]=4 41380 B12R0.5 CCC#CCOCCSCCCC 34a_200000230436_100009813939 [0,3,0,0,0,0|0,0,1]=4 41381 B12R0.5 CCC#CCOCCSCCCC 7a_200000230436_100009813939 [0,3,0,0,0,0|0,0,1]=4 41382 B12R0.5 CCC#CCSCCCCCCC 62a_100000210614_100009813939 [0,3,0,0,0,0|1,0,0]=4 41383 B12R0.5 CCC#CCSCCCCCCC 62a_100009813939_100000210316 [0,3,0,0,0,0|1,0,0]=4 41384 B12R0.5 CCC#CCSCCOCCCC 62a_100000743108_100009813939 [0,3,0,0,0,0|0,0,0]=3 41385 B12R0.5 CCC#CCSCCOCCCC 62a_100009813939_100000743108 [0,3,0,0,0,0|0,0,0]=3 41386 B12R0.5 CCC#CCSCCOCCOC 62a_100000695917_100009813939 [0,3,0,0,0,0|1,0,0]=4 41387 B12R0.5 CCC#CCSCCOCCOC 62a_100009813939_100000695917 [0,3,0,0,0,0|1,0,0]=4 41388 B12R0.5 CCC/C=C/C=C/COCCCC 34a_100016294078_100000210210 [0,3,0,0,0,0|0,0,1]=4 41389 B12R0.5 CCC/C=C/COCCCCC#N 7a_100016278788_100000211819 [0,3,0,0,0,0|0,0,1]=4 41390 B12R0.5 CCC/C=C/COCCCCC=O 7a_100016278788_100000139335 [0,3,0,0,0,0|0,0,1]=4 41391 B12R0.5 CCC/C=C/COCCCCCC 34a_100016278788_100000210314 [0,3,0,0,0,0|0,0,0]=3 41392 B12R0.5 CCC/C=C/COCCCCCC 7a_100016278788_100000210314 [0,3,0,0,0,0|0,0,0]=3 41393 B12R0.5 CCC/C=C/COCCCCCF 34a_100016278788_100000729378 [0,3,0,0,0,0|0,0,0]=3 41394 B12R0.5 CCC/C=C/COCCCCCF 7a_100016278788_100000729378 [0,3,0,0,0,0|0,0,0]=3 41395 B12R0.5 CCC/C=C/COCCCCCO 34a_100016278788_100000746330 [0,3,0,0,0,0|0,0,0]=3 41396 B12R0.5 CCC/C=C/COCCCCCO 7a_100016278788_100000746330 [0,3,0,0,0,0|0,0,0]=3 41397 B12R0.5 CCC/C=C/COCCCCOC 34a_100016278788_100000755781 [0,3,0,0,0,0|0,0,0]=3 41398 B12R0.5 CCC/C=C/COCCCCOC 7a_100016278788_100000730899 [0,3,0,0,0,0|0,0,0]=3 41399 B12R0.5 CCC/C=C/COCCCOCC 34a_100016278788_100012232248 [0,3,0,0,0,0|0,0,0]=3 41400 B12R0.5 CCC/C=C/COCCCOCC 7a_100016278788_100012232248 [0,3,0,0,0,0|0,0,0]=3 41401 B12R0.5 CCC/C=C/COCCOCCC 34a_100016278788_100011215938 [0,3,0,0,0,0|0,0,0]=3 41402 B12R0.5 CCC/C=C/COCCOCCC 7a_100016278788_100011215938 [0,3,0,0,0,0|0,0,0]=3 41403 B12R0.5 CCC/C=C/COCCOCCO 34a_100016278788_100000692535 [0,3,0,0,0,0|0,0,1]=4 41404 B12R0.5 CCC/C=C/COCCOCCO 7a_100016278788_100011215305 [0,3,0,0,0,0|0,0,1]=4 41405 B12R0.5 CCC/C=C/COCOCCCC 34a_100016278788_100011995733 [0,3,0,0,0,0|0,0,0]=3 41406 B12R0.5 CCCC#CCCOCCCC#N 7a_100000042726_100000687738 [0,3,0,0,0,0|0,0,1]=4 41407 B12R0.5 CCCC#CCCOCCCC=O 7a_100000042726_200011292268 [0,3,0,0,0,0|0,0,1]=4 41408 B12R0.5 CCCC#CCCOCCCCC 34a_100000042726_100000718602 [0,3,0,0,0,0|0,0,0]=3 41409 B12R0.5 CCCC#CCCOCCCCC 7a_100000042726_100000210326 [0,3,0,0,0,0|0,0,0]=3 41410 B12R0.5 CCCC#CCCOCCCCF 34a_100000042726_100000729493 [0,3,0,0,0,0|0,0,0]=3 41411 B12R0.5 CCCC#CCCOCCCCF 7a_100000042726_100000729493 [0,3,0,0,0,0|0,0,0]=3 41412 B12R0.5 CCCC#CCCOCCCCO 34a_100000042726_100011216708 [0,3,0,0,0,0|0,0,0]=3 41413 B12R0.5 CCCC#CCCOCCCCO 7a_100000042726_100000210776 [0,3,0,0,0,0|0,0,0]=3 41414 B12R0.5 CCCC#CCCOCCCOC 34a_100000042726_100000740836 [0,3,0,0,0,0|0,0,0]=3 41415 B12R0.5 CCCC#CCCOCCCOC 7a_100000042726_100000740836 [0,3,0,0,0,0|0,0,0]=3 41416 B12R0.5 CCCC#CCCOCCOCC 34a_100000042726_100000210147 [0,3,0,0,0,0|0,0,0]=3 41417 B12R0.5 CCCC#CCCOCCOCC 7a_100000042726_100011215890 [0,3,0,0,0,0|0,0,0]=3 41418 B12R0.5 CCCC#CCCOCCSCC 34a_100000042726_100000757381 [0,3,0,0,0,0|0,0,0]=3 41419 B12R0.5 CCCC#CCCOCCSCC 7a_100000042726_100000757381 [0,3,0,0,0,0|0,0,0]=3 41420 B12R0.5 CCCC#CCOCCCCC#N 7a_100000034806_100000211819 [0,3,0,0,0,0|0,0,1]=4 41421 B12R0.5 CCCC#CCOCCCCC=O 7a_100000034806_100000139335 [0,3,0,0,0,0|0,0,1]=4 41422 B12R0.5 CCCC#CCOCCCCCC 34a_100000034806_100000210314 [0,3,0,0,0,0|0,0,0]=3 41423 B12R0.5 CCCC#CCOCCCCCC 7a_100000034806_100000210314 [0,3,0,0,0,0|0,0,0]=3 41424 B12R0.5 CCCC#CCOCCCCCF 34a_100000034806_100000729378 [0,3,0,0,0,0|0,0,0]=3 41425 B12R0.5 CCCC#CCOCCCCCF 7a_100000034806_100000729378 [0,3,0,0,0,0|0,0,0]=3 41426 B12R0.5 CCCC#CCOCCCCCO 34a_100000034806_100000746330 [0,3,0,0,0,0|0,0,0]=3 41427 B12R0.5 CCCC#CCOCCCCCO 7a_100000034806_100000746330 [0,3,0,0,0,0|0,0,0]=3 41428 B12R0.5 CCCC#CCOCCCCOC 34a_100000034806_100000755781 [0,3,0,0,0,0|0,0,0]=3 41429 B12R0.5 CCCC#CCOCCCCOC 7a_100000034806_100000730899 [0,3,0,0,0,0|0,0,0]=3 41430 B12R0.5 CCCC#CCOCCCOCC 34a_100000034806_100012232248 [0,3,0,0,0,0|0,0,0]=3 41431 B12R0.5 CCCC#CCOCCCOCC 7a_100000034806_100012232248 [0,3,0,0,0,0|0,0,0]=3 41432 B12R0.5 CCCC#CCOCCOCCC 34a_100000034806_100011215938 [0,3,0,0,0,0|0,0,0]=3 41433 B12R0.5 CCCC#CCOCCOCCC 7a_100000034806_100011215938 [0,3,0,0,0,0|0,0,0]=3 41434 B12R0.5 CCCC#CCOCCOCCO 34a_100000034806_100000692535 [0,3,0,0,0,0|0,0,1]=4 41435 B12R0.5 CCCC#CCOCCOCCO 7a_100000034806_100011215305 [0,3,0,0,0,0|0,0,1]=4 41436 B12R0.5 CCCC#CCOCOCCCC 34a_100000034806_100011995733 [0,3,0,0,0,0|0,0,0]=3 41437 B12R0.5 CCCC/C=C/CCCCOCC 34a_200020645093_100000210202 [0,3,0,0,0,0|1,0,0]=4 41438 B12R0.5 CCCC/C=C/CCCCOCC 7a_200020645093_100000210202 [0,3,0,0,0,0|1,0,0]=4 41439 B12R0.5 CCCC/C=C/CCCCOCF 34a_200020645093_100015361967 [0,3,0,0,0,0|1,0,0]=4 41440 B12R0.5 CCCC/C=C/CCCCOCF 7a_200020645093_100015361967 [0,3,0,0,0,0|1,0,0]=4 41441 B12R0.5 CCCC/C=C/COCCCC#N 7a_200016272032_100000687738 [0,3,0,0,0,0|0,0,1]=4 41442 B12R0.5 CCCC/C=C/COCCCC=O 7a_200016272032_200011292268 [0,3,0,0,0,0|0,0,1]=4 41443 B12R0.5 CCCC/C=C/COCCCCC 34a_200016272032_100000718602 [0,3,0,0,0,0|0,0,0]=3 41444 B12R0.5 CCCC/C=C/COCCCCC 7a_200016272032_100000210326 [0,3,0,0,0,0|0,0,0]=3 41445 B12R0.5 CCCC/C=C/COCCCCF 34a_200016272032_100000729493 [0,3,0,0,0,0|0,0,0]=3 41446 B12R0.5 CCCC/C=C/COCCCCF 7a_200016272032_100000729493 [0,3,0,0,0,0|0,0,0]=3 41447 B12R0.5 CCCC/C=C/COCCCCO 34a_200016272032_100011216708 [0,3,0,0,0,0|0,0,0]=3 41448 B12R0.5 CCCC/C=C/COCCCCO 7a_200016272032_100000210776 [0,3,0,0,0,0|0,0,0]=3 41449 B12R0.5 CCCC/C=C/COCCCOC 34a_200016272032_100000740836 [0,3,0,0,0,0|0,0,0]=3 41450 B12R0.5 CCCC/C=C/COCCCOC 7a_200016272032_100000740836 [0,3,0,0,0,0|0,0,0]=3 41451 B12R0.5 CCCC/C=C/COCCOCC 34a_200016272032_100000210147 [0,3,0,0,0,0|0,0,0]=3 41452 B12R0.5 CCCC/C=C/COCCOCC 7a_200016272032_100011215890 [0,3,0,0,0,0|0,0,0]=3 41453 B12R0.5 CCCC/C=C/COCCSCC 34a_200016272032_100000757381 [0,3,0,0,0,0|0,0,0]=3 41454 B12R0.5 CCCC/C=C/COCCSCC 7a_200016272032_100000757381 [0,3,0,0,0,0|0,0,0]=3 41455 B12R0.5 CCCC/C=C\CCOCCCC 34a_200016286491_100000210210 [0,3,0,0,0,0|0,0,0]=3 41456 B12R0.5 CCCC/C=C\CCOCCCC 7a_200016286491_100000210211 [0,3,0,0,0,0|0,0,0]=3 41457 B12R0.5 CCCC/C=C\CCOCCCF 34a_200016286491_100011934791 [0,3,0,0,0,0|1,0,0]=4 41458 B12R0.5 CCCC/C=C\CCOCCCF 7a_200016286491_100011934791 [0,3,0,0,0,0|1,0,0]=4 41459 B12R0.5 CCCC/C=C\CCOCCCO 34a_200016286491_100000230001 [0,3,0,0,0,0|1,0,0]=4 41460 B12R0.5 CCCC/C=C\CCOCCCO 7a_200016286491_100011215043 [0,3,0,0,0,0|1,0,0]=4 41461 B12R0.5 CCCC/C=C\CCOCCOC 34a_200016286491_100011201679 [0,3,0,0,0,0|1,0,0]=4 41462 B12R0.5 CCCC/C=C\CCOCCOC 7a_200016286491_100000233755 [0,3,0,0,0,0|1,0,0]=4 41463 B12R0.5 CCCC/C=C\CCOCCSC 34a_200016286491_100000212216 [0,3,0,0,0,0|1,0,0]=4 41464 B12R0.5 CCCC/C=C\CCOCCSC 7a_200016286491_100000212216 [0,3,0,0,0,0|1,0,0]=4 41465 B12R0.5 CCCCC#CCCCCOCC 34a_200000066234_100000210202 [0,3,0,0,0,0|1,0,0]=4 41466 B12R0.5 CCCCC#CCCCCOCC 7a_200000066234_100000210202 [0,3,0,0,0,0|1,0,0]=4 41467 B12R0.5 CCCCC#CCCCCOCF 34a_200000066234_100015361967 [0,3,0,0,0,0|1,0,0]=4 41468 B12R0.5 CCCCC#CCCCCOCF 7a_200000066234_100015361967 [0,3,0,0,0,0|1,0,0]=4 41469 B12R0.5 CCCCC#CCCCNCCF 34a_100000724931_200000047210 [0,3,0,0,0,0|1,0,0]=4 41470 B12R0.5 CCCCC#CCCCNCCO 2230a_100016997473_200000047210 [0,3,0,0,0,0|1,0,0]=4 41471 B12R0.5 CCCCC#CCCCNCCO 34a_100016990907_200000047210 [0,3,0,0,0,0|1,0,0]=4 41472 B12R0.5 CCCCC#CCCCOCCBr 34a_100000211926_200000047210 [0,3,0,0,0,0|1,0,0]=4 41473 B12R0.5 CCCCC#CCCCOCCC 34a_100000210258_200000047210 [0,3,0,0,0,0|1,0,0]=4 41474 B12R0.5 CCCCC#CCCCOCCN 34a_100000210304_200000047210 [0,3,0,0,0,0|1,0,0]=4 41475 B12R0.5 CCCCC#CCCCSCCC 62a_100000210303_200000047210 [0,3,0,0,0,0|1,0,0]=4 41476 B12R0.5 CCCCC#CCCCSCCC 62a_200000047210_100000210303 [0,3,0,0,0,0|1,0,0]=4 41477 B12R0.5 CCCCC#CCCCSCCF 62a_100011217306_200000047210 [0,3,0,0,0,0|1,0,0]=4 41478 B12R0.5 CCCCC#CCCCSCCF 62a_200000047210_100011217306 [0,3,0,0,0,0|1,0,0]=4 41479 B12R0.5 CCCCC#CCCCSCCO 62a_100000211926_200000047210 [0,3,0,0,0,0|1,0,0]=4 41480 B12R0.5 CCCCC#CCCCSCCO 62a_200000047210_100000211926 [0,3,0,0,0,0|1,0,0]=4 41481 B12R0.5 CCCCC#CCCCSCOC 62a_100000766300_200000047210 [0,3,0,0,0,0|1,0,0]=4 41482 B12R0.5 CCCCC#CCCCSCOC 62a_200000047210_100000766300 [0,3,0,0,0,0|1,0,0]=4 41483 B12R0.5 CCCCC#CCCCSCSC 62a_100011218213_200000047210 [0,3,0,0,0,0|1,0,0]=4 41484 B12R0.5 CCCCC#CCCCSCSC 62a_200000047210_100011218213 [0,3,0,0,0,0|1,0,0]=4 41485 B12R0.5 CCCCC#CCCOCCCC 34a_100000037610_100000210210 [0,3,0,0,0,0|0,0,0]=3 41486 B12R0.5 CCCCC#CCCOCCCC 7a_100000037610_100000210211 [0,3,0,0,0,0|0,0,0]=3 41487 B12R0.5 CCCCC#CCCOCCCF 34a_100000037610_100011934791 [0,3,0,0,0,0|1,0,0]=4 41488 B12R0.5 CCCCC#CCCOCCCF 7a_100000037610_100011934791 [0,3,0,0,0,0|1,0,0]=4 41489 B12R0.5 CCCCC#CCCOCCCO 34a_100000037610_100000230001 [0,3,0,0,0,0|1,0,0]=4 41490 B12R0.5 CCCCC#CCCOCCCO 7a_100000037610_100011215043 [0,3,0,0,0,0|1,0,0]=4 41491 B12R0.5 CCCCC#CCCOCCOC 34a_100000037610_100011201679 [0,3,0,0,0,0|1,0,0]=4 41492 B12R0.5 CCCCC#CCCOCCOC 7a_100000037610_100000233755 [0,3,0,0,0,0|1,0,0]=4 41493 B12R0.5 CCCCC#CCCOCCSC 34a_100000037610_100000212216 [0,3,0,0,0,0|1,0,0]=4 41494 B12R0.5 CCCCC#CCCOCCSC 7a_100000037610_100000212216 [0,3,0,0,0,0|1,0,0]=4 41495 B12R0.5 CCCCC#CCOCCCC#N 7a_200000034558_100000687738 [0,3,0,0,0,0|0,0,1]=4 41496 B12R0.5 CCCCC#CCOCCCC=O 7a_200000034558_200011292268 [0,3,0,0,0,0|0,0,1]=4 41497 B12R0.5 CCCCC#CCOCCCCC 34a_200000034558_100000718602 [0,3,0,0,0,0|0,0,0]=3 41498 B12R0.5 CCCCC#CCOCCCCC 7a_200000034558_100000210326 [0,3,0,0,0,0|0,0,0]=3 41499 B12R0.5 CCCCC#CCOCCCCF 34a_200000034558_100000729493 [0,3,0,0,0,0|0,0,0]=3 41500 B12R0.5 CCCCC#CCOCCCCF 7a_200000034558_100000729493 [0,3,0,0,0,0|0,0,0]=3 41501 B12R0.5 CCCCC#CCOCCCCO 34a_200000034558_100011216708 [0,3,0,0,0,0|0,0,0]=3 41502 B12R0.5 CCCCC#CCOCCCCO 7a_200000034558_100000210776 [0,3,0,0,0,0|0,0,0]=3 41503 B12R0.5 CCCCC#CCOCCCOC 34a_200000034558_100000740836 [0,3,0,0,0,0|0,0,0]=3 41504 B12R0.5 CCCCC#CCOCCCOC 7a_200000034558_100000740836 [0,3,0,0,0,0|0,0,0]=3 41505 B12R0.5 CCCCC#CCOCCOCC 34a_200000034558_100000210147 [0,3,0,0,0,0|0,0,0]=3 41506 B12R0.5 CCCCC#CCOCCOCC 7a_200000034558_100011215890 [0,3,0,0,0,0|0,0,0]=3 41507 B12R0.5 CCCCC#CCOCCSCC 34a_200000034558_100000757381 [0,3,0,0,0,0|0,0,0]=3 41508 B12R0.5 CCCCC#CCOCCSCC 7a_200000034558_100000757381 [0,3,0,0,0,0|0,0,0]=3 41509 B12R0.5 CCCCC/C=C/COCCCC 34a_100016258190_100000210210 [0,3,0,0,0,0|0,0,0]=3 41510 B12R0.5 CCCCC/C=C/COCCCC 7a_100016258190_100000210211 [0,3,0,0,0,0|0,0,0]=3 41511 B12R0.5 CCCCC/C=C/COCCCF 34a_100016258190_100011934791 [0,3,0,0,0,0|1,0,0]=4 41512 B12R0.5 CCCCC/C=C/COCCCF 7a_100016258190_100011934791 [0,3,0,0,0,0|1,0,0]=4 41513 B12R0.5 CCCCC/C=C/COCCCO 34a_100016258190_100000230001 [0,3,0,0,0,0|1,0,0]=4 41514 B12R0.5 CCCCC/C=C/COCCCO 7a_100016258190_100011215043 [0,3,0,0,0,0|1,0,0]=4 41515 B12R0.5 CCCCC/C=C/COCCOC 34a_100016258190_100011201679 [0,3,0,0,0,0|1,0,0]=4 41516 B12R0.5 CCCCC/C=C/COCCOC 7a_100016258190_100000233755 [0,3,0,0,0,0|1,0,0]=4 41517 B12R0.5 CCCCC/C=C/COCCSC 34a_100016258190_100000212216 [0,3,0,0,0,0|1,0,0]=4 41518 B12R0.5 CCCCC/C=C/COCCSC 7a_100016258190_100000212216 [0,3,0,0,0,0|1,0,0]=4 41519 B12R0.5 CCCCC/C=C\CCCOCC 34a_100020655193_100000210202 [0,3,0,0,0,0|1,0,0]=4 41520 B12R0.5 CCCCC/C=C\CCCOCC 7a_100020655193_100000210202 [0,3,0,0,0,0|1,0,0]=4 41521 B12R0.5 CCCCC/C=C\CCCOCF 34a_100020655193_100015361967 [0,3,0,0,0,0|1,0,0]=4 41522 B12R0.5 CCCCC/C=C\CCCOCF 7a_100020655193_100015361967 [0,3,0,0,0,0|1,0,0]=4 41523 B12R0.5 CCCCC/C=C\CCOCCC 34a_100016277358_100000210303 [0,3,0,0,0,0|1,0,0]=4 41524 B12R0.5 CCCCC/C=C\CCOCCC 7a_100016277358_100000210303 [0,3,0,0,0,0|1,0,0]=4 41525 B12R0.5 CCCCC/C=C\CCOCCF 34a_100016277358_100011217306 [0,3,0,0,0,0|1,0,0]=4 41526 B12R0.5 CCCCC/C=C\CCOCCF 7a_100016277358_100011217306 [0,3,0,0,0,0|1,0,0]=4 41527 B12R0.5 CCCCC/C=C\CCOCCO 34a_100016277358_100000211926 [0,3,0,0,0,0|1,0,0]=4 41528 B12R0.5 CCCCC/C=C\CCOCCO 7a_100016277358_100000211926 [0,3,0,0,0,0|1,0,0]=4 41529 B12R0.5 CCCCC/C=C\CCOCSC 34a_100016277358_100011218213 [0,3,0,0,0,0|1,0,0]=4 41530 B12R0.5 CCCCCC#CCCOCCC 34a_200000042877_100000210303 [0,3,0,0,0,0|1,0,0]=4 41531 B12R0.5 CCCCCC#CCCOCCC 7a_200000042877_100000210303 [0,3,0,0,0,0|1,0,0]=4 41532 B12R0.5 CCCCCC#CCCOCCF 34a_200000042877_100011217306 [0,3,0,0,0,0|1,0,0]=4 41533 B12R0.5 CCCCCC#CCCOCCF 7a_200000042877_100011217306 [0,3,0,0,0,0|1,0,0]=4 41534 B12R0.5 CCCCCC#CCCOCCO 34a_200000042877_100000211926 [0,3,0,0,0,0|1,0,0]=4 41535 B12R0.5 CCCCCC#CCCOCCO 7a_200000042877_100000211926 [0,3,0,0,0,0|1,0,0]=4 41536 B12R0.5 CCCCCC#CCCOCSC 34a_200000042877_100011218213 [0,3,0,0,0,0|1,0,0]=4 41537 B12R0.5 CCCCCC#CCNCCCC 2230a_100000102301_100009816472 [0,3,0,0,0,0|1,0,0]=4 41538 B12R0.5 CCCCCC#CCNCCCC 7a_106832991798_100009816472 [0,3,0,0,0,0|1,0,0]=4 41539 B12R0.5 CCCCCC#CCNCCCF 2230a_100015189416_100009816472 [0,3,0,0,0,0|1,0,0]=4 41540 B12R0.5 CCCCCC#CCNCCCF 34a_100015189416_100009816472 [0,3,0,0,0,0|1,0,0]=4 41541 B12R0.5 CCCCCC#CCNCCOC 2230a_100000209980_100009816472 [0,3,0,0,0,0|1,0,0]=4 41542 B12R0.5 CCCCCC#CCNCCSC 2230a_100020590264_100009816472 [0,3,0,0,0,0|1,0,0]=4 41543 B12R0.5 CCCCCC#CCOCCCBr 34a_100011217188_100009816472 [0,3,0,0,0,0|1,0,0]=4 41544 B12R0.5 CCCCCC#CCOCCCC 34a_100000210227_100009816472 [0,3,0,0,0,0|0,0,0]=3 41545 B12R0.5 CCCCCC#CCOCCCC 34a_200000033628_100000210210 [0,3,0,0,0,0|0,0,0]=3 41546 B12R0.5 CCCCCC#CCOCCCC 7a_100000210227_100009816472 [0,3,0,0,0,0|0,0,0]=3 41547 B12R0.5 CCCCCC#CCOCCCC 7a_200000033628_100000210211 [0,3,0,0,0,0|0,0,0]=3 41548 B12R0.5 CCCCCC#CCOCCCCl 34a_100000230001_100009816472 [0,3,0,0,0,0|1,0,0]=4 41549 B12R0.5 CCCCCC#CCOCCCF 34a_100000759539_100009816472 [0,3,0,0,0,0|1,0,0]=4 41550 B12R0.5 CCCCCC#CCOCCCF 34a_200000033628_100011934791 [0,3,0,0,0,0|1,0,0]=4 41551 B12R0.5 CCCCCC#CCOCCCF 7a_200000033628_100011934791 [0,3,0,0,0,0|1,0,0]=4 41552 B12R0.5 CCCCCC#CCOCCCN 34a_100000182051_100009816472 [0,3,0,0,0,0|1,0,0]=4 41553 B12R0.5 CCCCCC#CCOCCCO 34a_200000033628_100000230001 [0,3,0,0,0,0|1,0,0]=4 41554 B12R0.5 CCCCCC#CCOCCCO 7a_200000033628_100011215043 [0,3,0,0,0,0|1,0,0]=4 41555 B12R0.5 CCCCCC#CCOCCOC 34a_100000210237_100009816472 [0,3,0,0,0,0|1,0,0]=4 41556 B12R0.5 CCCCCC#CCOCCOC 34a_200000033628_100011201679 [0,3,0,0,0,0|1,0,0]=4 41557 B12R0.5 CCCCCC#CCOCCOC 7a_200000033628_100000233755 [0,3,0,0,0,0|1,0,0]=4 41558 B12R0.5 CCCCCC#CCOCCSC 34a_100000230434_100009816472 [0,3,0,0,0,0|1,0,0]=4 41559 B12R0.5 CCCCCC#CCOCCSC 34a_200000033628_100000212216 [0,3,0,0,0,0|1,0,0]=4 41560 B12R0.5 CCCCCC#CCOCCSC 7a_100000230434_100009816472 [0,3,0,0,0,0|1,0,0]=4 41561 B12R0.5 CCCCCC#CCOCCSC 7a_200000033628_100000212216 [0,3,0,0,0,0|1,0,0]=4 41562 B12R0.5 CCCCCC#CCSCCCC 62a_100000210211_100009816472 [0,3,0,0,0,0|0,1,0]=4 41563 B12R0.5 CCCCCC#CCSCCCC 62a_100009816472_100000210210 [0,3,0,0,0,0|0,1,0]=4 41564 B12R0.5 CCCCCC#CCSCCCF 62a_100009816472_100011934791 [0,3,0,0,0,0|1,0,0]=4 41565 B12R0.5 CCCCCC#CCSCCCF 62a_100011934791_100009816472 [0,3,0,0,0,0|1,0,0]=4 41566 B12R0.5 CCCCCC#CCSCCCO 62a_100009816472_100011215043 [0,3,0,0,0,0|1,0,0]=4 41567 B12R0.5 CCCCCC#CCSCCCO 62a_100011215043_100009816472 [0,3,0,0,0,0|1,0,0]=4 41568 B12R0.5 CCCCCC#CCSCCOC 62a_100000233755_100009816472 [0,3,0,0,0,0|1,0,0]=4 41569 B12R0.5 CCCCCC#CCSCCOC 62a_100009816472_100000233755 [0,3,0,0,0,0|1,0,0]=4 41570 B12R0.5 CCCCCC#CCSCCSC 62a_100000212216_100009816472 [0,3,0,0,0,0|1,0,0]=4 41571 B12R0.5 CCCCCC#CCSCCSC 62a_100009816472_100000751147 [0,3,0,0,0,0|1,0,0]=4 41572 B12R0.5 CCCCCC#CCSCOCC 62a_100000739092_100009816472 [0,3,0,0,0,0|1,0,0]=4 41573 B12R0.5 CCCCCC#CCSCOCC 62a_100009816472_100000739092 [0,3,0,0,0,0|1,0,0]=4 41574 B12R0.5 CCCCCC/C=C/COCCC 34a_200016276170_100000210303 [0,3,0,0,0,0|1,0,0]=4 41575 B12R0.5 CCCCCC/C=C/COCCC 7a_200016276170_100000210303 [0,3,0,0,0,0|1,0,0]=4 41576 B12R0.5 CCCCCC=NNCCCCC 4a_100000694160_100000737632 [0,3,0,0,0,0|1,0,0]=4 41577 B12R0.5 CCCCCC=NNCCOCC 4a_100000732670_100000737632 [0,3,0,0,0,0|1,0,0]=4 41578 B12R0.5 CCCCCCC#CCCOCC 34a_200000033163_100000210202 [0,3,0,0,0,0|1,0,0]=4 41579 B12R0.5 CCCCCCC#CCCOCC 7a_200000033163_100000210202 [0,3,0,0,0,0|1,0,0]=4 41580 B12R0.5 CCCCCCC#CCOCCC 34a_200000037284_100000210303 [0,3,0,0,0,0|1,0,0]=4 41581 B12R0.5 CCCCCCC#CCOCCC 7a_200000037284_100000210303 [0,3,0,0,0,0|1,0,0]=4 41582 B12R0.5 CCCCCCC=NNCCCC 4a_100025702795_100000234349 [0,3,0,0,0,0|1,0,0]=4 41583 B12R0.5 CCCCCCCC#CCOCC 34a_200000061759_100000210202 [0,3,0,0,0,0|1,0,0]=4 41584 B12R0.5 CCCCCCCC#CCOCC 7a_200000061759_100000210202 [0,3,0,0,0,0|1,0,0]=4 41585 B12R0.5 CCCCCCCC/C=C/COC 34a_200020667288_200000210301 [0,3,0,0,0,0|1,0,0]=4 41586 B12R0.5 CCCCCCCC/C=C/COC 7a_200020667288_200000210301 [0,3,0,0,0,0|1,0,0]=4 41587 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 34a_200020667288_200025704644 [0,3,0,0,0,0|1,0,0]=4 41588 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 7a_200020667288_200025704644 [0,3,0,0,0,0|1,0,0]=4 41589 B12R0.5 CCCCCCCC=NNCCC 4a_100000740057_100000210592 [0,3,0,0,0,0|1,0,0]=4 41590 B12R0.5 CCCCCCCCC=NNCC 4a_100000756455_100011218696 [0,3,0,0,0,0|1,0,0]=4 41591 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [0,3,0,0,0,0|1,0,0]=4 41592 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [0,3,0,0,0,0|1,0,0]=4 41593 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [0,3,0,0,0,0|1,0,0]=4 41594 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [0,3,0,0,0,0|1,0,0]=4 41595 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [0,3,0,0,0,0|1,0,0]=4 41596 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [0,3,0,0,0,0|1,0,0]=4 41597 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [0,3,0,0,0,0|1,0,0]=4 41598 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [0,3,0,0,0,0|1,0,0]=4 41599 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [0,3,0,0,0,0|1,0,0]=4 41600 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [0,3,0,0,0,0|1,0,0]=4 41601 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [0,3,0,0,0,0|1,0,0]=4 41602 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [0,3,0,0,0,0|1,0,0]=4 41603 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [0,3,0,0,0,0|1,0,0]=4 41604 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [0,3,0,0,0,0|1,0,0]=4 41605 B12R0.5 CCCCCCCCCCNCC 2230a_100000684558_100000210202 [0,3,0,0,0,0|1,0,0]=4 41606 B12R0.5 CCCCCCCCCCNCC 2230a_100015525214_100000210320 [0,3,0,0,0,0|1,0,0]=4 41607 B12R0.5 CCCCCCCCCCNCC 34a_100000684558_100000210202 [0,3,0,0,0,0|1,0,0]=4 41608 B12R0.5 CCCCCCCCCCNCF 34a_100000684558_100015361967 [0,3,0,0,0,0|1,0,0]=4 41609 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [0,3,0,0,0,0|1,0,0]=4 41610 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [0,3,0,0,0,0|1,0,0]=4 41611 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [0,3,0,0,0,0|1,0,0]=4 41612 B12R0.5 CCCCCCCCCCOCF 34a_100000210711_100015361967 [0,3,0,0,0,0|1,0,0]=4 41613 B12R0.5 CCCCCCCCCCOCF 7a_100000210711_100015361967 [0,3,0,0,0,0|1,0,0]=4 41614 B12R0.5 CCCCCCCCCCSCC 62a_100000210202_100000210320 [0,3,0,0,0,0|1,0,0]=4 41615 B12R0.5 CCCCCCCCCCSCF 62a_100015361967_100000210320 [0,3,0,0,0,0|1,0,0]=4 41616 B12R0.5 CCCCCCCCCNCC#N 2230a_100000212291_100011215382 [0,3,0,0,0,0|1,0,0]=4 41617 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [0,3,0,0,0,0|1,0,0]=4 41618 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [0,3,0,0,0,0|1,0,0]=4 41619 B12R0.5 CCCCCCCCCNCCC 2230a_100000212291_100000210303 [0,3,0,0,0,0|1,0,0]=4 41620 B12R0.5 CCCCCCCCCNCCC 34a_100000212291_100000210303 [0,3,0,0,0,0|1,0,0]=4 41621 B12R0.5 CCCCCCCCCNCCF 2230a_100000212291_100011217306 [0,3,0,0,0,0|1,0,0]=4 41622 B12R0.5 CCCCCCCCCNCCF 34a_100000212291_100011217306 [0,3,0,0,0,0|1,0,0]=4 41623 B12R0.5 CCCCCCCCCNCCF 34a_100000724931_100011214924 [0,3,0,0,0,0|1,0,0]=4 41624 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [0,3,0,0,0,0|1,0,0]=4 41625 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [0,3,0,0,0,0|1,0,0]=4 41626 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [0,3,0,0,0,0|1,0,0]=4 41627 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [0,3,0,0,0,0|1,0,0]=4 41628 B12R0.5 CCCCCCCCCNCOC 2230a_100000212291_100000766300 [0,3,0,0,0,0|1,0,0]=4 41629 B12R0.5 CCCCCCCCCNCSC 2230a_100000212291_100011218213 [0,3,0,0,0,0|1,0,0]=4 41630 B12R0.5 CCCCCCCCCNCSC 34a_100000212291_100011218213 [0,3,0,0,0,0|1,0,0]=4 41631 B12R0.5 CCCCCCCCCOCC#N 7a_100000210712_100011215382 [0,3,0,0,0,0|1,0,0]=4 41632 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [0,3,0,0,0,0|1,0,0]=4 41633 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [0,3,0,0,0,0|1,0,0]=4 41634 B12R0.5 CCCCCCCCCOCCBr 34a_100000211926_100011214924 [0,3,0,0,0,0|1,0,0]=4 41635 B12R0.5 CCCCCCCCCOCCC 34a_100000210258_100011214924 [0,3,0,0,0,0|1,0,0]=4 41636 B12R0.5 CCCCCCCCCOCCC 34a_100000210712_100000210303 [0,3,0,0,0,0|1,0,0]=4 41637 B12R0.5 CCCCCCCCCOCCC 7a_100000210712_100000210303 [0,3,0,0,0,0|1,0,0]=4 41638 B12R0.5 CCCCCCCCCOCCF 34a_100000210712_100011217306 [0,3,0,0,0,0|1,0,0]=4 41639 B12R0.5 CCCCCCCCCOCCF 7a_100000210712_100011217306 [0,3,0,0,0,0|1,0,0]=4 41640 B12R0.5 CCCCCCCCCOCCN 34a_100000210304_100011214924 [0,3,0,0,0,0|1,0,0]=4 41641 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [0,3,0,0,0,0|1,0,0]=4 41642 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [0,3,0,0,0,0|1,0,0]=4 41643 B12R0.5 CCCCCCCCCOCSC 34a_100000210712_100011218213 [0,3,0,0,0,0|1,0,0]=4 41644 B12R0.5 CCCCCCCCCSCC#N 62a_100011215382_100000210670 [0,3,0,0,0,0|1,0,0]=4 41645 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [0,3,0,0,0,0|1,0,0]=4 41646 B12R0.5 CCCCCCCCCSCCC 62a_100000210303_100000210670 [0,3,0,0,0,0|1,0,0]=4 41647 B12R0.5 CCCCCCCCCSCCF 62a_100011217306_100000210670 [0,3,0,0,0,0|1,0,0]=4 41648 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [0,3,0,0,0,0|1,0,0]=4 41649 B12R0.5 CCCCCCCCCSCOC 62a_100000766300_100000210670 [0,3,0,0,0,0|1,0,0]=4 41650 B12R0.5 CCCCCCCCCSCSC 62a_100011218213_100000210670 [0,3,0,0,0,0|1,0,0]=4 41651 B12R0.5 CCCCCCCCNCCC#N 2230a_100000229939_100011215226 [0,3,0,0,0,0|1,0,0]=4 41652 B12R0.5 CCCCCCCCNCCCC 2230a_100000102301_100000210759 [0,3,0,0,0,0|1,0,0]=4 41653 B12R0.5 CCCCCCCCNCCCC 2230a_100000229939_100000210211 [0,3,0,0,0,0|1,0,0]=4 41654 B12R0.5 CCCCCCCCNCCCC 34a_100000229939_100000210210 [0,3,0,0,0,0|1,0,0]=4 41655 B12R0.5 CCCCCCCCNCCCC 7a_106832991798_100000210759 [0,3,0,0,0,0|1,0,0]=4 41656 B12R0.5 CCCCCCCCNCCCF 2230a_100000229939_100011934791 [0,3,0,0,0,0|1,0,0]=4 41657 B12R0.5 CCCCCCCCNCCCF 2230a_100015189416_100000210759 [0,3,0,0,0,0|1,0,0]=4 41658 B12R0.5 CCCCCCCCNCCCF 34a_100000229939_100011934791 [0,3,0,0,0,0|1,0,0]=4 41659 B12R0.5 CCCCCCCCNCCCF 34a_100015189416_100000210759 [0,3,0,0,0,0|1,0,0]=4 41660 B12R0.5 CCCCCCCCNCCCO 2230a_100000229939_100000230001 [0,3,0,0,0,0|1,0,0]=4 41661 B12R0.5 CCCCCCCCNCCCO 34a_100000229939_100000230001 [0,3,0,0,0,0|1,0,0]=4 41662 B12R0.5 CCCCCCCCNCCOC 2230a_100000209980_100000210759 [0,3,0,0,0,0|1,0,0]=4 41663 B12R0.5 CCCCCCCCNCCOC 2230a_100000229939_100011201679 [0,3,0,0,0,0|1,0,0]=4 41664 B12R0.5 CCCCCCCCNCCOC 34a_100000229939_100011201679 [0,3,0,0,0,0|1,0,0]=4 41665 B12R0.5 CCCCCCCCNCCSC 2230a_100000229939_100000751147 [0,3,0,0,0,0|1,0,0]=4 41666 B12R0.5 CCCCCCCCNCCSC 2230a_100020590264_100000210759 [0,3,0,0,0,0|1,0,0]=4 41667 B12R0.5 CCCCCCCCNCCSC 34a_100000229939_100000212216 [0,3,0,0,0,0|1,0,0]=4 41668 B12R0.5 CCCCCCCCOCCC#N 7a_100000210232_100000184422 [0,3,0,0,0,0|1,0,0]=4 41669 B12R0.5 CCCCCCCCOCCCBr 34a_100011217188_100000210759 [0,3,0,0,0,0|1,0,0]=4 41670 B12R0.5 CCCCCCCCOCCCC 34a_100000210227_100000210759 [0,3,0,0,0,0|0,0,0]=3 41671 B12R0.5 CCCCCCCCOCCCC 34a_100000210232_100000210210 [0,3,0,0,0,0|0,0,0]=3 41672 B12R0.5 CCCCCCCCOCCCC 7a_100000210227_100000210759 [0,3,0,0,0,0|0,0,0]=3 41673 B12R0.5 CCCCCCCCOCCCC 7a_100000210232_100000210211 [0,3,0,0,0,0|0,0,0]=3 41674 B12R0.5 CCCCCCCCOCCCCl 34a_100000230001_100000210759 [0,3,0,0,0,0|1,0,0]=4 41675 B12R0.5 CCCCCCCCOCCCF 34a_100000210232_100011934791 [0,3,0,0,0,0|1,0,0]=4 41676 B12R0.5 CCCCCCCCOCCCF 34a_100000759539_100000210759 [0,3,0,0,0,0|1,0,0]=4 41677 B12R0.5 CCCCCCCCOCCCF 7a_100000210232_100011934791 [0,3,0,0,0,0|1,0,0]=4 41678 B12R0.5 CCCCCCCCOCCCN 34a_100000182051_100000210759 [0,3,0,0,0,0|1,0,0]=4 41679 B12R0.5 CCCCCCCCOCCCO 34a_100000210232_100000230001 [0,3,0,0,0,0|1,0,0]=4 41680 B12R0.5 CCCCCCCCOCCCO 7a_100000210232_100011215043 [0,3,0,0,0,0|1,0,0]=4 41681 B12R0.5 CCCCCCCCOCCOC 34a_100000210232_100011201679 [0,3,0,0,0,0|1,0,0]=4 41682 B12R0.5 CCCCCCCCOCCOC 34a_100000210237_100000210759 [0,3,0,0,0,0|1,0,0]=4 41683 B12R0.5 CCCCCCCCOCCOC 7a_100000210232_100000233755 [0,3,0,0,0,0|1,0,0]=4 41684 B12R0.5 CCCCCCCCOCCON 34a_100000700252_100000210759 [0,3,0,0,0,0|1,0,0]=4 41685 B12R0.5 CCCCCCCCOCCSC 34a_100000210232_100000212216 [0,3,0,0,0,0|1,0,0]=4 41686 B12R0.5 CCCCCCCCOCCSC 34a_100000230434_100000210759 [0,3,0,0,0,0|1,0,0]=4 41687 B12R0.5 CCCCCCCCOCCSC 7a_100000210232_100000212216 [0,3,0,0,0,0|1,0,0]=4 41688 B12R0.5 CCCCCCCCOCCSC 7a_100000230434_100000210759 [0,3,0,0,0,0|1,0,0]=4 41689 B12R0.5 CCCCCCCCSCCC#N 62a_100000210759_100011215226 [0,3,0,0,0,0|1,0,0]=4 41690 B12R0.5 CCCCCCCCSCCC#N 62a_100011215226_100000210317 [0,3,0,0,0,0|1,0,0]=4 41691 B12R0.5 CCCCCCCCSCCCC 62a_100000210211_100000210317 [0,3,0,0,0,0|0,1,0]=4 41692 B12R0.5 CCCCCCCCSCCCC 62a_100000210759_100000210210 [0,3,0,0,0,0|0,1,0]=4 41693 B12R0.5 CCCCCCCCSCCCF 62a_100000210759_100011934791 [0,3,0,0,0,0|1,0,0]=4 41694 B12R0.5 CCCCCCCCSCCCF 62a_100011934791_100000210317 [0,3,0,0,0,0|1,0,0]=4 41695 B12R0.5 CCCCCCCCSCCCO 62a_100000210759_100011215043 [0,3,0,0,0,0|1,0,0]=4 41696 B12R0.5 CCCCCCCCSCCCO 62a_100011215043_100000210317 [0,3,0,0,0,0|1,0,0]=4 41697 B12R0.5 CCCCCCCCSCCOC 62a_100000210759_100000233755 [0,3,0,0,0,0|1,0,0]=4 41698 B12R0.5 CCCCCCCCSCCOC 62a_100000233755_100000210317 [0,3,0,0,0,0|1,0,0]=4 41699 B12R0.5 CCCCCCCCSCCSC 62a_100000210759_100000751147 [0,3,0,0,0,0|1,0,0]=4 41700 B12R0.5 CCCCCCCCSCCSC 62a_100000212216_100000210317 [0,3,0,0,0,0|1,0,0]=4 41701 B12R0.5 CCCCCCCCSCOCC 62a_100000210759_100000739092 [0,3,0,0,0,0|1,0,0]=4 41702 B12R0.5 CCCCCCCCSCOCC 62a_100000739092_100000210317 [0,3,0,0,0,0|1,0,0]=4 41703 B12R0.5 CCCCCCCNCCCC#N 2230a_100000229938_100000687738 [0,3,0,0,0,0|1,0,0]=4 41704 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [0,3,0,0,0,0|1,0,0]=4 41705 B12R0.5 CCCCCCCNCCCCC 2230a_100000209983_100000210681 [0,3,0,0,0,0|1,0,0]=4 41706 B12R0.5 CCCCCCCNCCCCC 2230a_100000229938_100000210326 [0,3,0,0,0,0|1,0,0]=4 41707 B12R0.5 CCCCCCCNCCCCF 2230a_100000229938_100000729493 [0,3,0,0,0,0|1,0,0]=4 41708 B12R0.5 CCCCCCCNCCCCO 2230a_100000229938_100000210776 [0,3,0,0,0,0|1,0,0]=4 41709 B12R0.5 CCCCCCCNCCCCO 2230a_100000750430_100000210681 [0,3,0,0,0,0|1,0,0]=4 41710 B12R0.5 CCCCCCCNCCCCO 34a_100000750430_100000210614 [0,3,0,0,0,0|1,0,0]=4 41711 B12R0.5 CCCCCCCNCCCOC 2230a_100000229938_100000740836 [0,3,0,0,0,0|1,0,0]=4 41712 B12R0.5 CCCCCCCNCCCOC 34a_100150723488_100000210614 [0,3,0,0,0,0|1,0,0]=4 41713 B12R0.5 CCCCCCCNCCCSC 2230a_100000749238_100000210681 [0,3,0,0,0,0|1,0,0]=4 41714 B12R0.5 CCCCCCCNCCOCC 2230a_100000229938_100011215890 [0,3,0,0,0,0|1,0,0]=4 41715 B12R0.5 CCCCCCCNCCOCC 2230a_102516460346_100000210681 [0,3,0,0,0,0|1,0,0]=4 41716 B12R0.5 CCCCCCCNCCOCC 34a_102516460346_100000210614 [0,3,0,0,0,0|1,0,0]=4 41717 B12R0.5 CCCCCCCNCCSCC 2230a_100000106463_100000210681 [0,3,0,0,0,0|1,0,0]=4 41718 B12R0.5 CCCCCCCNCCSCC 2230a_100000229938_100000757381 [0,3,0,0,0,0|1,0,0]=4 41719 B12R0.5 CCCCCCCOCCCC#N 7a_100000210272_100000687738 [0,3,0,0,0,0|0,0,1]=4 41720 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [0,3,0,0,0,0|0,0,1]=4 41721 B12R0.5 CCCCCCCOCCCCBr 34a_100011216708_100000210614 [0,3,0,0,0,0|0,0,0]=3 41722 B12R0.5 CCCCCCCOCCCCC 34a_100000210253_100000210614 [0,3,0,0,0,0|0,0,0]=3 41723 B12R0.5 CCCCCCCOCCCCC 34a_100000210272_100000718602 [0,3,0,0,0,0|0,0,0]=3 41724 B12R0.5 CCCCCCCOCCCCC 7a_100000210253_100000210614 [0,3,0,0,0,0|0,0,0]=3 41725 B12R0.5 CCCCCCCOCCCCC 7a_100000210272_100000210326 [0,3,0,0,0,0|0,0,0]=3 41726 B12R0.5 CCCCCCCOCCCCCl 34a_100000210776_100000210614 [0,3,0,0,0,0|0,0,0]=3 41727 B12R0.5 CCCCCCCOCCCCCl 7a_100000210776_100000210614 [0,3,0,0,0,0|0,0,0]=3 41728 B12R0.5 CCCCCCCOCCCCF 34a_100000210272_100000729493 [0,3,0,0,0,0|0,0,0]=3 41729 B12R0.5 CCCCCCCOCCCCF 34a_100011995726_100000210614 [0,3,0,0,0,0|0,0,0]=3 41730 B12R0.5 CCCCCCCOCCCCF 7a_100000210272_100000729493 [0,3,0,0,0,0|0,0,0]=3 41731 B12R0.5 CCCCCCCOCCCCF 7a_100011995726_100000210614 [0,3,0,0,0,0|0,0,0]=3 41732 B12R0.5 CCCCCCCOCCCCI 34a_200012148704_100000210614 [0,3,0,0,0,0|0,0,0]=3 41733 B12R0.5 CCCCCCCOCCCCN 34a_100000750430_100000210614 [0,3,0,0,0,0|0,0,0]=3 41734 B12R0.5 CCCCCCCOCCCCO 34a_100000210272_100011216708 [0,3,0,0,0,0|0,0,0]=3 41735 B12R0.5 CCCCCCCOCCCCO 7a_100000210272_100000210776 [0,3,0,0,0,0|0,0,0]=3 41736 B12R0.5 CCCCCCCOCCCNC 34a_100000213112_100000210614 [0,3,0,0,0,0|0,0,0]=3 41737 B12R0.5 CCCCCCCOCCCOC 34a_100000210272_100000740836 [0,3,0,0,0,0|0,0,0]=3 41738 B12R0.5 CCCCCCCOCCCOC 34a_100000740835_100000210614 [0,3,0,0,0,0|0,0,0]=3 41739 B12R0.5 CCCCCCCOCCCOC 7a_100000210272_100000740836 [0,3,0,0,0,0|0,0,0]=3 41740 B12R0.5 CCCCCCCOCCCSC 34a_100000690336_100000210614 [0,3,0,0,0,0|0,0,0]=3 41741 B12R0.5 CCCCCCCOCCCSC 7a_100000690336_100000210614 [0,3,0,0,0,0|0,0,0]=3 41742 B12R0.5 CCCCCCCOCCOCC 34a_100000210136_100000210614 [0,3,0,0,0,0|0,0,0]=3 41743 B12R0.5 CCCCCCCOCCOCC 34a_100000210272_100000210147 [0,3,0,0,0,0|0,0,0]=3 41744 B12R0.5 CCCCCCCOCCOCC 7a_100000210136_100000210614 [0,3,0,0,0,0|0,0,0]=3 41745 B12R0.5 CCCCCCCOCCOCC 7a_100000210272_100011215890 [0,3,0,0,0,0|0,0,0]=3 41746 B12R0.5 CCCCCCCOCCSCC 34a_100000210272_100000757381 [0,3,0,0,0,0|0,0,0]=3 41747 B12R0.5 CCCCCCCOCCSCC 34a_100000212035_100000210614 [0,3,0,0,0,0|0,0,0]=3 41748 B12R0.5 CCCCCCCOCCSCC 7a_100000210272_100000757381 [0,3,0,0,0,0|0,0,0]=3 41749 B12R0.5 CCCCCCCOCCSCC 7a_100000212035_100000210614 [0,3,0,0,0,0|0,0,0]=3 41750 B12R0.5 CCCCCCCSCCCC#N 62a_100000210614_100000687738 [0,3,0,0,0,0|1,0,0]=4 41751 B12R0.5 CCCCCCCSCCCC#N 62a_100000687738_100000210316 [0,3,0,0,0,0|1,0,0]=4 41752 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [0,3,0,0,0,0|1,0,0]=4 41753 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [0,3,0,0,0,0|1,0,0]=4 41754 B12R0.5 CCCCCCCSCCCCC 62a_100000210326_100000210316 [0,3,0,0,0,0|0,1,0]=4 41755 B12R0.5 CCCCCCCSCCCCC 62a_100000210614_100000210326 [0,3,0,0,0,0|0,1,0]=4 41756 B12R0.5 CCCCCCCSCCCCF 62a_100000210614_100000729493 [0,3,0,0,0,0|0,1,0]=4 41757 B12R0.5 CCCCCCCSCCCCF 62a_100000729493_100000210316 [0,3,0,0,0,0|0,1,0]=4 41758 B12R0.5 CCCCCCCSCCCCO 62a_100000210614_100000210776 [0,3,0,0,0,0|0,1,0]=4 41759 B12R0.5 CCCCCCCSCCCCO 62a_100000210776_100000210316 [0,3,0,0,0,0|0,1,0]=4 41760 B12R0.5 CCCCCCCSCCCOC 62a_100000210614_100000709357 [0,3,0,0,0,0|0,1,0]=4 41761 B12R0.5 CCCCCCCSCCCOC 62a_100000709357_100000210316 [0,3,0,0,0,0|0,1,0]=4 41762 B12R0.5 CCCCCCCSCCOCC 62a_100000210147_100000210316 [0,3,0,0,0,0|0,1,0]=4 41763 B12R0.5 CCCCCCCSCCOCC 62a_100000210614_100011215890 [0,3,0,0,0,0|0,1,0]=4 41764 B12R0.5 CCCCCCCSCCSCC 62a_100000210614_100000757381 [0,3,0,0,0,0|0,1,0]=4 41765 B12R0.5 CCCCCCCSCCSCC 62a_100000757381_100000210316 [0,3,0,0,0,0|0,1,0]=4 41766 B12R0.5 CCCCCCNCCCCC#N 2230a_100000210581_100000211819 [0,3,0,0,0,0|1,0,0]=4 41767 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [0,3,0,0,0,0|1,0,0]=4 41768 B12R0.5 CCCCCCNCCCCCC 2230a_100000210581_100000210314 [0,3,0,0,0,0|1,0,0]=4 41769 B12R0.5 CCCCCCNCCCCCF 2230a_100000210581_100000729378 [0,3,0,0,0,0|1,0,0]=4 41770 B12R0.5 CCCCCCNCCCCCO 2230a_100000210581_100000746330 [0,3,0,0,0,0|1,0,0]=4 41771 B12R0.5 CCCCCCNCCCCCO 2230a_100000762737_100000210314 [0,3,0,0,0,0|1,0,0]=4 41772 B12R0.5 CCCCCCNCCCCCO 34a_100000762737_100000210314 [0,3,0,0,0,0|1,0,0]=4 41773 B12R0.5 CCCCCCNCCCCOC 2230a_100000210581_100000730899 [0,3,0,0,0,0|1,0,0]=4 41774 B12R0.5 CCCCCCNCCCOCC 2230a_100000210581_100012232248 [0,3,0,0,0,0|1,0,0]=4 41775 B12R0.5 CCCCCCNCCCOCC 2230a_100000210961_100000210314 [0,3,0,0,0,0|1,0,0]=4 41776 B12R0.5 CCCCCCNCCCOCC 34a_100000210961_100000210314 [0,3,0,0,0,0|1,0,0]=4 41777 B12R0.5 CCCCCCNCCOCCC 2230a_100000210581_100011215938 [0,3,0,0,0,0|1,0,0]=4 41778 B12R0.5 CCCCCCNCCOCCC 2230a_100161115042_100000210314 [0,3,0,0,0,0|1,0,0]=4 41779 B12R0.5 CCCCCCNCCOCCC 34a_100161115042_100000210314 [0,3,0,0,0,0|1,0,0]=4 41780 B12R0.5 CCCCCCNCCOCCO 2230a_100000210581_100011215305 [0,3,0,0,0,0|1,0,0]=4 41781 B12R0.5 CCCCCCNCCOCCO 2230a_100000211614_100000210314 [0,3,0,0,0,0|1,0,0]=4 41782 B12R0.5 CCCCCCNCCOCCO 34a_100000211614_100000210314 [0,3,0,0,0,0|1,0,0]=4 41783 B12R0.5 CCCCCCNCCSCCC 2230a_100020603323_100000210314 [0,3,0,0,0,0|1,0,0]=4 41784 B12R0.5 CCCCCCNCCSCCO 2230a_100011219999_100000210314 [0,3,0,0,0,0|1,0,0]=4 41785 B12R0.5 CCCCCCNCOCCCC 2230a_100000210581_100011995733 [0,3,0,0,0,0|0,0,0]=3 41786 B12R0.5 CCCCCCNCOCCOC 2230a_100000210581_100000231047 [0,3,0,0,0,0|1,0,0]=4 41787 B12R0.5 CCCCCCOCCCCC#N 7a_100000210259_100000211819 [0,3,0,0,0,0|0,0,0]=3 41788 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [0,3,0,0,0,0|0,0,0]=3 41789 B12R0.5 CCCCCCOCCCCCBr 34a_100000746331_100000210314 [0,3,0,0,0,0|0,0,0]=3 41790 B12R0.5 CCCCCCOCCCCCBr 7a_100000746331_100000210314 [0,3,0,0,0,0|0,0,0]=3 41791 B12R0.5 CCCCCCOCCCCCC 34a_100000210259_100000210314 [0,3,0,0,0,0|0,0,0]=3 41792 B12R0.5 CCCCCCOCCCCCC 7a_100000210259_100000210314 [0,3,0,0,0,0|0,0,0]=3 41793 B12R0.5 CCCCCCOCCCCCCl 34a_100000746330_100000210314 [0,3,0,0,0,0|0,0,0]=3 41794 B12R0.5 CCCCCCOCCCCCCl 7a_100000746330_100000210314 [0,3,0,0,0,0|0,0,0]=3 41795 B12R0.5 CCCCCCOCCCCCF 34a_100000210259_100000729378 [0,3,0,0,0,0|0,0,0]=3 41796 B12R0.5 CCCCCCOCCCCCF 7a_100000210259_100000729378 [0,3,0,0,0,0|0,0,0]=3 41797 B12R0.5 CCCCCCOCCCCCI 34a_200012148887_100000210314 [0,3,0,0,0,0|0,0,0]=3 41798 B12R0.5 CCCCCCOCCCCCI 7a_200012148887_100000210314 [0,3,0,0,0,0|0,0,0]=3 41799 B12R0.5 CCCCCCOCCCCCN 34a_100000762737_100000210314 [0,3,0,0,0,0|0,0,0]=3 41800 B12R0.5 CCCCCCOCCCCCO 34a_100000210259_100000746330 [0,3,0,0,0,0|0,0,0]=3 41801 B12R0.5 CCCCCCOCCCCCO 7a_100000210259_100000746330 [0,3,0,0,0,0|0,0,0]=3 41802 B12R0.5 CCCCCCOCCCCOC 34a_100000210259_100000755781 [0,3,0,0,0,0|0,0,0]=3 41803 B12R0.5 CCCCCCOCCCCOC 34a_100000740925_100000210314 [0,3,0,0,0,0|0,0,0]=3 41804 B12R0.5 CCCCCCOCCCCOC 7a_100000210259_100000730899 [0,3,0,0,0,0|0,0,0]=3 41805 B12R0.5 CCCCCCOCCCCSC 34a_100011217163_100000210314 [0,3,0,0,0,0|0,0,0]=3 41806 B12R0.5 CCCCCCOCCCCSC 7a_100011217163_100000210314 [0,3,0,0,0,0|0,0,0]=3 41807 B12R0.5 CCCCCCOCCCOCC 34a_100000210259_100012232248 [0,3,0,0,0,0|0,0,0]=3 41808 B12R0.5 CCCCCCOCCCOCC 34a_100000757476_100000210314 [0,3,0,0,0,0|0,0,0]=3 41809 B12R0.5 CCCCCCOCCCOCC 7a_100000210259_100012232248 [0,3,0,0,0,0|0,0,0]=3 41810 B12R0.5 CCCCCCOCCCOCC 7a_100000757476_100000210314 [0,3,0,0,0,0|0,0,0]=3 41811 B12R0.5 CCCCCCOCCCSCC 34a_100011216438_100000210314 [0,3,0,0,0,0|0,0,0]=3 41812 B12R0.5 CCCCCCOCCCSCC 7a_100011216438_100000210314 [0,3,0,0,0,0|0,0,0]=3 41813 B12R0.5 CCCCCCOCCOCC#N 7a_100000210259_200000047693 [0,3,0,0,0,0|0,0,1]=4 41814 B12R0.5 CCCCCCOCCOCC#N 7a_100000691444_100011215382 [0,3,0,0,0,0|0,0,1]=4 41815 B12R0.5 CCCCCCOCCOCC=O 34a_100000691444_200009817547 [0,3,0,0,0,0|0,0,1]=4 41816 B12R0.5 CCCCCCOCCOCC=O 7a_100000691444_200015260668 [0,3,0,0,0,0|0,0,1]=4 41817 B12R0.5 CCCCCCOCCOCCBr 34a_100000692535_100000210314 [0,3,0,0,0,0|0,0,0]=3 41818 B12R0.5 CCCCCCOCCOCCBr 7a_100000692535_100000210314 [0,3,0,0,0,0|0,0,0]=3 41819 B12R0.5 CCCCCCOCCOCCC 34a_100000210259_100011215938 [0,3,0,0,0,0|0,0,0]=3 41820 B12R0.5 CCCCCCOCCOCCC 34a_100000691444_100000210303 [0,3,0,0,0,0|0,0,0]=3 41821 B12R0.5 CCCCCCOCCOCCC 34a_100000752267_100000210314 [0,3,0,0,0,0|0,0,0]=3 41822 B12R0.5 CCCCCCOCCOCCC 7a_100000210259_100011215938 [0,3,0,0,0,0|0,0,0]=3 41823 B12R0.5 CCCCCCOCCOCCC 7a_100000691444_100000210303 [0,3,0,0,0,0|0,0,0]=3 41824 B12R0.5 CCCCCCOCCOCCC 7a_100000752267_100000210314 [0,3,0,0,0,0|0,0,0]=3 41825 B12R0.5 CCCCCCOCCOCCCl 34a_100011215305_100000210314 [0,3,0,0,0,0|0,0,0]=3 41826 B12R0.5 CCCCCCOCCOCCCl 7a_100011215305_100000210314 [0,3,0,0,0,0|0,0,0]=3 41827 B12R0.5 CCCCCCOCCOCCF 34a_100000691444_100011217306 [0,3,0,0,0,0|0,0,0]=3 41828 B12R0.5 CCCCCCOCCOCCF 34a_200015357709_100000210314 [0,3,0,0,0,0|0,0,0]=3 41829 B12R0.5 CCCCCCOCCOCCF 7a_100000691444_100011217306 [0,3,0,0,0,0|0,0,0]=3 41830 B12R0.5 CCCCCCOCCOCCF 7a_200015357709_100000210314 [0,3,0,0,0,0|0,0,0]=3 41831 B12R0.5 CCCCCCOCCOCCI 34a_100012149058_100000210314 [0,3,0,0,0,0|0,0,0]=3 41832 B12R0.5 CCCCCCOCCOCCI 7a_100012149058_100000210314 [0,3,0,0,0,0|0,0,0]=3 41833 B12R0.5 CCCCCCOCCOCCN 34a_100000211614_100000210314 [0,3,0,0,0,0|0,0,0]=3 41834 B12R0.5 CCCCCCOCCOCCO 34a_100000210259_100000692535 [0,3,0,0,0,0|0,0,0]=3 41835 B12R0.5 CCCCCCOCCOCCO 34a_100000691444_100000211926 [0,3,0,0,0,0|0,0,0]=3 41836 B12R0.5 CCCCCCOCCOCCO 7a_100000210259_100011215305 [0,3,0,0,0,0|0,0,0]=3 41837 B12R0.5 CCCCCCOCCOCCO 7a_100000691444_100000211926 [0,3,0,0,0,0|0,0,0]=3 41838 B12R0.5 CCCCCCOCCOCSC 34a_100000691444_100011218213 [0,3,0,0,0,0|0,0,0]=3 41839 B12R0.5 CCCCCCOCCSCCC 34a_200000230433_100000210314 [0,3,0,0,0,0|0,0,0]=3 41840 B12R0.5 CCCCCCOCCSCCC 7a_200000230433_100000210314 [0,3,0,0,0,0|0,0,0]=3 41841 B12R0.5 CCCCCCOCOCCCC 34a_100000210259_100011995733 [0,3,0,0,0,0|0,0,0]=3 41842 B12R0.5 CCCCCCSCCCCC#N 62a_100000210314_100000211819 [0,3,0,0,0,0|0,1,0]=4 41843 B12R0.5 CCCCCCSCCCCC#N 62a_100011219923_100000210757 [0,3,0,0,0,0|0,1,0]=4 41844 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [0,3,0,0,0,0|0,1,0]=4 41845 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [0,3,0,0,0,0|0,1,0]=4 41846 B12R0.5 CCCCCCSCCCCCC 62a_100000210314_100000210757 [0,3,0,0,0,0|0,1,0]=4 41847 B12R0.5 CCCCCCSCCCCCF 62a_100000210314_100000729378 [0,3,0,0,0,0|0,1,0]=4 41848 B12R0.5 CCCCCCSCCCCCF 62a_100000729378_100000210757 [0,3,0,0,0,0|0,1,0]=4 41849 B12R0.5 CCCCCCSCCCCCO 62a_100000210314_100000746330 [0,3,0,0,0,0|0,1,0]=4 41850 B12R0.5 CCCCCCSCCCCCO 62a_100000746330_100000210757 [0,3,0,0,0,0|0,1,0]=4 41851 B12R0.5 CCCCCCSCCCCOC 62a_100000210314_100000730899 [0,3,0,0,0,0|0,1,0]=4 41852 B12R0.5 CCCCCCSCCCCOC 62a_100000730899_100000210757 [0,3,0,0,0,0|0,1,0]=4 41853 B12R0.5 CCCCCCSCCCOCC 62a_100000210314_100012232248 [0,3,0,0,0,0|0,1,0]=4 41854 B12R0.5 CCCCCCSCCCOCC 62a_100012232248_100000210757 [0,3,0,0,0,0|0,1,0]=4 41855 B12R0.5 CCCCCCSCCOCCC 62a_100000210314_100011215938 [0,3,0,0,0,0|0,1,0]=4 41856 B12R0.5 CCCCCCSCCOCCC 62a_100011215938_100000210757 [0,3,0,0,0,0|0,1,0]=4 41857 B12R0.5 CCCCCCSCCOCCO 62a_100000210314_100011215305 [0,3,0,0,0,0|0,1,0]=4 41858 B12R0.5 CCCCCCSCCOCCO 62a_100011215305_100000210757 [0,3,0,0,0,0|0,1,0]=4 41859 B12R0.5 CCCCCCSCOCCCC 62a_100000210314_100011995733 [0,3,0,0,0,0|0,0,0]=3 41860 B12R0.5 CCCCCCSCOCCCC 62a_100011995733_100000210757 [0,3,0,0,0,0|0,0,0]=3 41861 B12R0.5 CCCCCCSCOCCOC 62a_100000210314_100000231047 [0,3,0,0,0,0|0,1,0]=4 41862 B12R0.5 CCCCCCSCOCCOC 62a_100000231047_100000210757 [0,3,0,0,0,0|0,1,0]=4 41863 B12R0.5 CCCCCNCCCCCC#N 2230a_100000209983_100009813376 [0,3,0,0,0,0|1,0,0]=4 41864 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [0,3,0,0,0,0|1,0,0]=4 41865 B12R0.5 CCCCCNCCCCCCF 2230a_100000209983_100015922095 [0,3,0,0,0,0|1,0,0]=4 41866 B12R0.5 CCCCCNCCCCCCO 2230a_100000209983_100000766143 [0,3,0,0,0,0|1,0,0]=4 41867 B12R0.5 CCCCCNCCCCCCO 2230a_100000686447_100000210326 [0,3,0,0,0,0|1,0,0]=4 41868 B12R0.5 CCCCCNCCCCCCO 34a_100000686447_100000718602 [0,3,0,0,0,0|1,0,0]=4 41869 B12R0.5 CCCCCNCCCCCOC 2230a_100000747528_100000210326 [0,3,0,0,0,0|1,0,0]=4 41870 B12R0.5 CCCCCNCCCCCOC 34a_100000747528_100000718602 [0,3,0,0,0,0|1,0,0]=4 41871 B12R0.5 CCCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210326 [0,3,0,0,0,0|1,0,0]=4 41872 B12R0.5 CCCCCNCCCOCCC 2230a_100011217757_100000210326 [0,3,0,0,0,0|1,0,0]=4 41873 B12R0.5 CCCCCNCCCOCCC 34a_100011217757_100000718602 [0,3,0,0,0,0|1,0,0]=4 41874 B12R0.5 CCCCCNCCOCCCC 2230a_100000209983_100000743108 [0,3,0,0,0,0|0,0,0]=3 41875 B12R0.5 CCCCCNCCOCCCC 34a_100000224656_100000210210 [0,3,0,0,0,0|0,0,0]=3 41876 B12R0.5 CCCCCNCCOCCCF 34a_100000224656_100011934791 [0,3,0,0,0,0|1,0,0]=4 41877 B12R0.5 CCCCCNCCOCCCO 34a_100000224656_100000230001 [0,3,0,0,0,0|1,0,0]=4 41878 B12R0.5 CCCCCNCCOCCOC 2230a_100000209983_100000695917 [0,3,0,0,0,0|1,0,0]=4 41879 B12R0.5 CCCCCNCCOCCOC 2230a_100000745349_100000210326 [0,3,0,0,0,0|1,0,0]=4 41880 B12R0.5 CCCCCNCCOCCOC 34a_100000224656_100011201679 [0,3,0,0,0,0|1,0,0]=4 41881 B12R0.5 CCCCCNCCOCCOC 34a_100000745349_100000718602 [0,3,0,0,0,0|1,0,0]=4 41882 B12R0.5 CCCCCNCCOCCSC 34a_100000224656_100000212216 [0,3,0,0,0,0|1,0,0]=4 41883 B12R0.5 CCCCCNCCSCCCC 2230a_100025743550_100000210326 [0,3,0,0,0,0|0,1,0]=4 41884 B12R0.5 CCCCCNN=CCCCCO 4a_100000694160_100000031955 [0,3,0,0,0,0|1,0,0]=4 41885 B12R0.5 CCCCCOCCCCCC#N 7a_100000210253_100009813376 [0,3,0,0,0,0|0,0,0]=3 41886 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [0,3,0,0,0,0|0,0,0]=3 41887 B12R0.5 CCCCCOCCCCCCBr 34a_100011215345_100000718602 [0,3,0,0,0,0|0,0,0]=3 41888 B12R0.5 CCCCCOCCCCCCBr 7a_100011215345_100000210326 [0,3,0,0,0,0|0,0,0]=3 41889 B12R0.5 CCCCCOCCCCCCCl 34a_100000766143_100000718602 [0,3,0,0,0,0|0,0,0]=3 41890 B12R0.5 CCCCCOCCCCCCCl 7a_100000766143_100000210326 [0,3,0,0,0,0|0,0,0]=3 41891 B12R0.5 CCCCCOCCCCCCF 34a_100000210253_100015922095 [0,3,0,0,0,0|0,0,0]=3 41892 B12R0.5 CCCCCOCCCCCCF 34a_100000732779_100000718602 [0,3,0,0,0,0|0,0,0]=3 41893 B12R0.5 CCCCCOCCCCCCF 7a_100000210253_100015922095 [0,3,0,0,0,0|0,0,0]=3 41894 B12R0.5 CCCCCOCCCCCCF 7a_100000732779_100000210326 [0,3,0,0,0,0|0,0,0]=3 41895 B12R0.5 CCCCCOCCCCCCN 34a_100000686447_100000718602 [0,3,0,0,0,0|0,0,0]=3 41896 B12R0.5 CCCCCOCCCCCCO 34a_100000210253_100000766143 [0,3,0,0,0,0|0,0,0]=3 41897 B12R0.5 CCCCCOCCCCCCO 7a_100000210253_100000766143 [0,3,0,0,0,0|0,0,0]=3 41898 B12R0.5 CCCCCOCCCCCNC 34a_100000722520_100000718602 [0,3,0,0,0,0|0,0,0]=3 41899 B12R0.5 CCCCCOCCOCCC#N 7a_100011215259_100000184422 [0,3,0,0,0,0|0,0,0]=3 41900 B12R0.5 CCCCCOCCOCCCC 34a_100000210238_100000718602 [0,3,0,0,0,0|0,0,0]=3 41901 B12R0.5 CCCCCOCCOCCCC 34a_100000210253_100000743108 [0,3,0,0,0,0|0,0,0]=3 41902 B12R0.5 CCCCCOCCOCCCC 34a_100011215259_100000210210 [0,3,0,0,0,0|0,0,0]=3 41903 B12R0.5 CCCCCOCCOCCCC 7a_100000210238_100000210326 [0,3,0,0,0,0|0,0,0]=3 41904 B12R0.5 CCCCCOCCOCCCC 7a_100000210253_100000743108 [0,3,0,0,0,0|0,0,0]=3 41905 B12R0.5 CCCCCOCCOCCCC 7a_100011215259_100000210211 [0,3,0,0,0,0|0,0,0]=3 41906 B12R0.5 CCCCCOCCOCCCF 34a_100011215259_100011934791 [0,3,0,0,0,0|0,0,0]=3 41907 B12R0.5 CCCCCOCCOCCCF 7a_100011215259_100011934791 [0,3,0,0,0,0|0,0,0]=3 41908 B12R0.5 CCCCCOCCOCCCO 34a_100011215259_100000230001 [0,3,0,0,0,0|0,0,0]=3 41909 B12R0.5 CCCCCOCCOCCCO 7a_100011215259_100011215043 [0,3,0,0,0,0|0,0,0]=3 41910 B12R0.5 CCCCCOCCOCCNC 34a_100000228057_100000718602 [0,3,0,0,0,0|0,0,0]=3 41911 B12R0.5 CCCCCOCCOCCOC 34a_100000210253_100000695917 [0,3,0,0,0,0|0,0,0]=3 41912 B12R0.5 CCCCCOCCOCCOC 34a_100011215163_100000718602 [0,3,0,0,0,0|0,0,0]=3 41913 B12R0.5 CCCCCOCCOCCOC 34a_100011215259_100011201679 [0,3,0,0,0,0|0,0,0]=3 41914 B12R0.5 CCCCCOCCOCCOC 7a_100000210253_100000695917 [0,3,0,0,0,0|0,0,0]=3 41915 B12R0.5 CCCCCOCCOCCOC 7a_100011215163_100000210326 [0,3,0,0,0,0|0,0,0]=3 41916 B12R0.5 CCCCCOCCOCCOC 7a_100011215259_100000233755 [0,3,0,0,0,0|0,0,0]=3 41917 B12R0.5 CCCCCOCCOCCSC 34a_100011215259_100000212216 [0,3,0,0,0,0|0,0,0]=3 41918 B12R0.5 CCCCCOCCOCCSC 7a_100011215259_100000212216 [0,3,0,0,0,0|0,0,0]=3 41919 B12R0.5 CCCCCOCCSCCCC 34a_200000230436_100000718602 [0,3,0,0,0,0|0,0,0]=3 41920 B12R0.5 CCCCCOCCSCCCC 7a_200000230436_100000210326 [0,3,0,0,0,0|0,0,0]=3 41921 B12R0.5 CCCCCSCCCCCC#N 62a_100000210326_100009813376 [0,3,0,0,0,0|0,1,0]=4 41922 B12R0.5 CCCCCSCCCCCC#N 62a_100009813376_100000210326 [0,3,0,0,0,0|0,1,0]=4 41923 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [0,3,0,0,0,0|0,1,0]=4 41924 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [0,3,0,0,0,0|0,1,0]=4 41925 B12R0.5 CCCCCSCCCCCCF 62a_100000210326_100015922095 [0,3,0,0,0,0|0,1,0]=4 41926 B12R0.5 CCCCCSCCCCCCF 62a_100015922095_100000210326 [0,3,0,0,0,0|0,1,0]=4 41927 B12R0.5 CCCCCSCCCCCCO 62a_100000210326_100000766143 [0,3,0,0,0,0|0,1,0]=4 41928 B12R0.5 CCCCCSCCCCCCO 62a_100000766143_100000210326 [0,3,0,0,0,0|0,1,0]=4 41929 B12R0.5 CCCCCSCCOCCCC 62a_100000210326_100000743108 [0,3,0,0,0,0|0,0,0]=3 41930 B12R0.5 CCCCCSCCOCCCC 62a_100000743108_100000210326 [0,3,0,0,0,0|0,0,0]=3 41931 B12R0.5 CCCCCSCCOCCOC 62a_100000210326_100000695917 [0,3,0,0,0,0|0,1,0]=4 41932 B12R0.5 CCCCCSCCOCCOC 62a_100000695917_100000210326 [0,3,0,0,0,0|0,1,0]=4 41933 B12R0.5 CCCCNCCCCCCC#N 2230a_100000102301_100009813337 [0,3,0,0,0,0|1,0,0]=4 41934 B12R0.5 CCCCNCCCCCCC#N 7a_106832991798_100009813337 [0,3,0,0,0,0|1,0,0]=4 41935 B12R0.5 CCCCNCCCCCCCO 2230a_100000102301_100000760002 [0,3,0,0,0,0|1,0,0]=4 41936 B12R0.5 CCCCNCCCCCCCO 2230a_100011996573_100000210211 [0,3,0,0,0,0|1,0,0]=4 41937 B12R0.5 CCCCNCCCCCCCO 34a_100011996573_100000210210 [0,3,0,0,0,0|1,0,0]=4 41938 B12R0.5 CCCCNCCCCCCCO 7a_106832991798_100000760002 [0,3,0,0,0,0|1,0,0]=4 41939 B12R0.5 CCCCNCCCCCCOC 2230a_100000102301_100011998445 [0,3,0,0,0,0|1,0,0]=4 41940 B12R0.5 CCCCNCCCCCCOC 7a_106832991798_100011998445 [0,3,0,0,0,0|1,0,0]=4 41941 B12R0.5 CCCCNCCCCOCC=O 34a_200011216965_200009817547 [0,3,0,0,0,0|1,0,0]=4 41942 B12R0.5 CCCCNCCCCOCCC 34a_200011216965_100000210303 [0,3,0,0,0,0|1,0,0]=4 41943 B12R0.5 CCCCNCCCCOCCF 34a_200011216965_100011217306 [0,3,0,0,0,0|1,0,0]=4 41944 B12R0.5 CCCCNCCCCOCCO 34a_200011216965_100000211926 [0,3,0,0,0,0|1,0,0]=4 41945 B12R0.5 CCCCNCCCCOCSC 34a_200011216965_100011218213 [0,3,0,0,0,0|1,0,0]=4 41946 B12R0.5 CCCCNCCCOCCCC 2230a_200000211371_100000210211 [0,3,0,0,0,0|0,0,0]=3 41947 B12R0.5 CCCCNCCCOCCCC 34a_200000211371_100000210210 [0,3,0,0,0,0|0,0,0]=3 41948 B12R0.5 CCCCNCCCOCCCO 2230a_100011310245_100000210211 [0,3,0,0,0,0|1,0,0]=4 41949 B12R0.5 CCCCNCCCOCCCO 34a_100011310245_100000210210 [0,3,0,0,0,0|1,0,0]=4 41950 B12R0.5 CCCCNCCCOCCOC 2230a_100000102301_100011216529 [0,3,0,0,0,0|1,0,0]=4 41951 B12R0.5 CCCCNCCCOCCOC 2230a_100000206027_100000210211 [0,3,0,0,0,0|1,0,0]=4 41952 B12R0.5 CCCCNCCCOCCOC 34a_100000206027_100000210210 [0,3,0,0,0,0|1,0,0]=4 41953 B12R0.5 CCCCNCCCOCCOC 7a_106832991798_100011216529 [0,3,0,0,0,0|1,0,0]=4 41954 B12R0.5 CCCCNCCOCCOCC 2230a_100000102301_100011211534 [0,3,0,0,0,0|0,0,0]=3 41955 B12R0.5 CCCCNCCOCCOCC 2230a_100102712874_100000210211 [0,3,0,0,0,0|0,0,0]=3 41956 B12R0.5 CCCCNCCOCCOCC 34a_100102712874_100000210210 [0,3,0,0,0,0|0,0,0]=3 41957 B12R0.5 CCCCNCCOCCOCC 7a_106832991798_100011211534 [0,3,0,0,0,0|0,0,0]=3 41958 B12R0.5 CCCCOCCCCCCC#N 7a_100000210227_100009813337 [0,3,0,0,0,0|0,0,0]=3 41959 B12R0.5 CCCCOCCCCCCCBr 34a_100000760002_100000210210 [0,3,0,0,0,0|0,0,0]=3 41960 B12R0.5 CCCCOCCCCCCCBr 7a_100000760002_100000210211 [0,3,0,0,0,0|0,0,0]=3 41961 B12R0.5 CCCCOCCCCCCCN 34a_100011996573_100000210210 [0,3,0,0,0,0|0,0,0]=3 41962 B12R0.5 CCCCOCCCCCCCO 34a_100000210227_100000760002 [0,3,0,0,0,0|0,0,0]=3 41963 B12R0.5 CCCCOCCCCCCCO 7a_100000210227_100000760002 [0,3,0,0,0,0|0,0,0]=3 41964 B12R0.5 CCCCOCCCCCCOC 34a_100000210227_100011998445 [0,3,0,0,0,0|0,0,0]=3 41965 B12R0.5 CCCCOCCCCCCOC 34a_200012092642_100000210210 [0,3,0,0,0,0|0,0,0]=3 41966 B12R0.5 CCCCOCCCCCCOC 7a_100000210227_100011998445 [0,3,0,0,0,0|0,0,0]=3 41967 B12R0.5 CCCCOCCCCCCOC 7a_200012092642_100000210211 [0,3,0,0,0,0|0,0,0]=3 41968 B12R0.5 CCCCOCCCCOCC#N 7a_200000760531_100011215382 [0,3,0,0,0,0|0,0,0]=3 41969 B12R0.5 CCCCOCCCCOCC=O 34a_200000760531_200009817547 [0,3,0,0,0,0|0,0,0]=3 41970 B12R0.5 CCCCOCCCCOCC=O 7a_200000760531_200015260668 [0,3,0,0,0,0|0,0,0]=3 41971 B12R0.5 CCCCOCCCCOCCC 34a_200000760531_100000210303 [0,3,0,0,0,0|0,0,0]=3 41972 B12R0.5 CCCCOCCCCOCCC 7a_200000760531_100000210303 [0,3,0,0,0,0|0,0,0]=3 41973 B12R0.5 CCCCOCCCCOCCF 34a_200000760531_100011217306 [0,3,0,0,0,0|0,0,0]=3 41974 B12R0.5 CCCCOCCCCOCCF 7a_200000760531_100011217306 [0,3,0,0,0,0|0,0,0]=3 41975 B12R0.5 CCCCOCCCCOCCO 34a_200000760531_100000211926 [0,3,0,0,0,0|0,0,0]=3 41976 B12R0.5 CCCCOCCCCOCCO 7a_200000760531_100000211926 [0,3,0,0,0,0|0,0,0]=3 41977 B12R0.5 CCCCOCCCCOCSC 34a_200000760531_100011218213 [0,3,0,0,0,0|0,0,0]=3 41978 B12R0.5 CCCCOCCCNCCC#N 2230a_200000211371_100011215226 [0,3,0,0,0,0|0,0,0]=3 41979 B12R0.5 CCCCOCCCNCCCF 2230a_200000211371_100011934791 [0,3,0,0,0,0|0,0,0]=3 41980 B12R0.5 CCCCOCCCNCCCF 34a_200000211371_100011934791 [0,3,0,0,0,0|0,0,0]=3 41981 B12R0.5 CCCCOCCCNCCCO 2230a_200000211371_100000230001 [0,3,0,0,0,0|0,0,0]=3 41982 B12R0.5 CCCCOCCCNCCCO 34a_200000211371_100000230001 [0,3,0,0,0,0|0,0,0]=3 41983 B12R0.5 CCCCOCCCNCCOC 2230a_200000211371_100011201679 [0,3,0,0,0,0|0,0,0]=3 41984 B12R0.5 CCCCOCCCNCCOC 34a_200000211371_100011201679 [0,3,0,0,0,0|0,0,0]=3 41985 B12R0.5 CCCCOCCCNCCSC 2230a_200000211371_100000751147 [0,3,0,0,0,0|0,0,0]=3 41986 B12R0.5 CCCCOCCCNCCSC 34a_200000211371_100000212216 [0,3,0,0,0,0|0,0,0]=3 41987 B12R0.5 CCCCOCCCOCCC#N 7a_200011215613_100000184422 [0,3,0,0,0,0|0,0,0]=3 41988 B12R0.5 CCCCOCCCOCCCC 34a_200011215613_100000210210 [0,3,0,0,0,0|0,0,0]=3 41989 B12R0.5 CCCCOCCCOCCCC 7a_200011215613_100000210211 [0,3,0,0,0,0|0,0,0]=3 41990 B12R0.5 CCCCOCCCOCCCF 34a_200011215613_100011934791 [0,3,0,0,0,0|0,0,0]=3 41991 B12R0.5 CCCCOCCCOCCCF 7a_200011215613_100011934791 [0,3,0,0,0,0|0,0,0]=3 41992 B12R0.5 CCCCOCCCOCCCN 34a_100011310245_100000210210 [0,3,0,0,0,0|0,0,0]=3 41993 B12R0.5 CCCCOCCCOCCCO 34a_200011215613_100000230001 [0,3,0,0,0,0|0,0,0]=3 41994 B12R0.5 CCCCOCCCOCCCO 7a_200011215613_100011215043 [0,3,0,0,0,0|0,0,0]=3 41995 B12R0.5 CCCCOCCCOCCOC 34a_100000210227_100011216529 [0,3,0,0,0,0|0,0,0]=3 41996 B12R0.5 CCCCOCCCOCCOC 34a_200011215613_100011201679 [0,3,0,0,0,0|0,0,0]=3 41997 B12R0.5 CCCCOCCCOCCOC 7a_100000210227_100011216529 [0,3,0,0,0,0|0,0,0]=3 41998 B12R0.5 CCCCOCCCOCCOC 7a_200011215613_100000233755 [0,3,0,0,0,0|0,0,0]=3 41999 B12R0.5 CCCCOCCCOCCSC 34a_200011215613_100000212216 [0,3,0,0,0,0|0,0,0]=3 42000 B12R0.5 CCCCOCCCOCCSC 7a_200011215613_100000212216 [0,3,0,0,0,0|0,0,0]=3 42001 B12R0.5 CCCCOCCNCCCCO 2230a_100000750430_100000743108 [0,3,0,0,0,0|0,0,0]=3 42002 B12R0.5 CCCCOCCNCCCCO 34a_100000750430_100000743108 [0,3,0,0,0,0|0,0,0]=3 42003 B12R0.5 CCCCOCCNCCCOC 34a_100150723488_100000743108 [0,3,0,0,0,0|0,0,0]=3 42004 B12R0.5 CCCCOCCNCCCSC 2230a_100000749238_100000743108 [0,3,0,0,0,0|0,0,0]=3 42005 B12R0.5 CCCCOCCNCCOCC 2230a_102516460346_100000743108 [0,3,0,0,0,0|0,0,0]=3 42006 B12R0.5 CCCCOCCNCCOCC 34a_102516460346_100000743108 [0,3,0,0,0,0|0,0,0]=3 42007 B12R0.5 CCCCOCCNCCSCC 2230a_100000106463_100000743108 [0,3,0,0,0,0|0,0,0]=3 42008 B12R0.5 CCCCOCCOCC#CCCl 34a_200000047223_100000743108 [0,3,0,0,0,0|0,0,1]=4 42009 B12R0.5 CCCCOCCOCC#CCO 34a_100000210238_200000047223 [0,3,0,0,0,0|0,0,1]=4 42010 B12R0.5 CCCCOCCOCC#CCO 7a_100000210238_200000047223 [0,3,0,0,0,0|0,0,1]=4 42011 B12R0.5 CCCCOCCOCCCC#N 7a_100000210238_100000687738 [0,3,0,0,0,0|0,0,0]=3 42012 B12R0.5 CCCCOCCOCCCC=O 7a_100000210238_200011292268 [0,3,0,0,0,0|0,0,0]=3 42013 B12R0.5 CCCCOCCOCCCCBr 34a_100011216708_100000743108 [0,3,0,0,0,0|0,0,0]=3 42014 B12R0.5 CCCCOCCOCCCCCl 34a_100000210776_100000743108 [0,3,0,0,0,0|0,0,0]=3 42015 B12R0.5 CCCCOCCOCCCCCl 7a_100000210776_100000743108 [0,3,0,0,0,0|0,0,0]=3 42016 B12R0.5 CCCCOCCOCCCCF 34a_100000210238_100000729493 [0,3,0,0,0,0|0,0,0]=3 42017 B12R0.5 CCCCOCCOCCCCF 34a_100011995726_100000743108 [0,3,0,0,0,0|0,0,0]=3 42018 B12R0.5 CCCCOCCOCCCCF 7a_100000210238_100000729493 [0,3,0,0,0,0|0,0,0]=3 42019 B12R0.5 CCCCOCCOCCCCF 7a_100011995726_100000743108 [0,3,0,0,0,0|0,0,0]=3 42020 B12R0.5 CCCCOCCOCCCCI 34a_200012148704_100000743108 [0,3,0,0,0,0|0,0,0]=3 42021 B12R0.5 CCCCOCCOCCCCN 34a_100000750430_100000743108 [0,3,0,0,0,0|0,0,0]=3 42022 B12R0.5 CCCCOCCOCCCCO 34a_100000210238_100011216708 [0,3,0,0,0,0|0,0,0]=3 42023 B12R0.5 CCCCOCCOCCCCO 7a_100000210238_100000210776 [0,3,0,0,0,0|0,0,0]=3 42024 B12R0.5 CCCCOCCOCCCNC 34a_100000213112_100000743108 [0,3,0,0,0,0|0,0,0]=3 42025 B12R0.5 CCCCOCCOCCCOC 34a_100000210238_100000740836 [0,3,0,0,0,0|0,0,0]=3 42026 B12R0.5 CCCCOCCOCCCOC 34a_100000740835_100000743108 [0,3,0,0,0,0|0,0,0]=3 42027 B12R0.5 CCCCOCCOCCCOC 7a_100000210238_100000740836 [0,3,0,0,0,0|0,0,0]=3 42028 B12R0.5 CCCCOCCOCCCSC 34a_100000690336_100000743108 [0,3,0,0,0,0|0,0,0]=3 42029 B12R0.5 CCCCOCCOCCCSC 7a_100000690336_100000743108 [0,3,0,0,0,0|0,0,0]=3 42030 B12R0.5 CCCCOCCOCCOCC 34a_100000210136_100000743108 [0,3,0,0,0,0|0,0,0]=3 42031 B12R0.5 CCCCOCCOCCOCC 34a_100000210227_100011211534 [0,3,0,0,0,0|0,0,0]=3 42032 B12R0.5 CCCCOCCOCCOCC 34a_100000210238_100000210147 [0,3,0,0,0,0|0,0,0]=3 42033 B12R0.5 CCCCOCCOCCOCC 34a_100000210240_100000210210 [0,3,0,0,0,0|0,0,0]=3 42034 B12R0.5 CCCCOCCOCCOCC 34a_100011215186_100000210202 [0,3,0,0,0,0|0,0,0]=3 42035 B12R0.5 CCCCOCCOCCOCC 7a_100000210136_100000743108 [0,3,0,0,0,0|0,0,0]=3 42036 B12R0.5 CCCCOCCOCCOCC 7a_100000210227_100011211534 [0,3,0,0,0,0|0,0,0]=3 42037 B12R0.5 CCCCOCCOCCOCC 7a_100000210238_100011215890 [0,3,0,0,0,0|0,0,0]=3 42038 B12R0.5 CCCCOCCOCCOCC 7a_100000210240_100000210211 [0,3,0,0,0,0|0,0,0]=3 42039 B12R0.5 CCCCOCCOCCOCC 7a_100011215186_100000210202 [0,3,0,0,0,0|0,0,0]=3 42040 B12R0.5 CCCCOCCOCCOCF 34a_100011215186_100015361967 [0,3,0,0,0,0|0,0,0]=3 42041 B12R0.5 CCCCOCCOCCOCF 7a_100011215186_100015361967 [0,3,0,0,0,0|0,0,0]=3 42042 B12R0.5 CCCCOCCOCCSCC 34a_100000210238_100000757381 [0,3,0,0,0,0|0,0,0]=3 42043 B12R0.5 CCCCOCCOCCSCC 34a_100000212035_100000743108 [0,3,0,0,0,0|0,0,0]=3 42044 B12R0.5 CCCCOCCOCCSCC 7a_100000210238_100000757381 [0,3,0,0,0,0|0,0,0]=3 42045 B12R0.5 CCCCOCCOCCSCC 7a_100000212035_100000743108 [0,3,0,0,0,0|0,0,0]=3 42046 B12R0.5 CCCCOCCSCC#CCO 62a_100000743108_200000047223 [0,3,0,0,0,0|0,0,1]=4 42047 B12R0.5 CCCCOCCSCC#CCO 62a_200000047223_100000743108 [0,3,0,0,0,0|0,0,1]=4 42048 B12R0.5 CCCCOCCSCCCC#N 62a_100000687738_100000743108 [0,3,0,0,0,0|0,0,0]=3 42049 B12R0.5 CCCCOCCSCCCC#N 62a_100000743108_100000687738 [0,3,0,0,0,0|0,0,0]=3 42050 B12R0.5 CCCCOCCSCCCC=O 62a_100000743108_200011292268 [0,3,0,0,0,0|0,0,0]=3 42051 B12R0.5 CCCCOCCSCCCC=O 62a_200011292268_100000743108 [0,3,0,0,0,0|0,0,0]=3 42052 B12R0.5 CCCCOCCSCCCCF 62a_100000729493_100000743108 [0,3,0,0,0,0|0,0,0]=3 42053 B12R0.5 CCCCOCCSCCCCF 62a_100000743108_100000729493 [0,3,0,0,0,0|0,0,0]=3 42054 B12R0.5 CCCCOCCSCCCCO 62a_100000210776_100000743108 [0,3,0,0,0,0|0,0,0]=3 42055 B12R0.5 CCCCOCCSCCCCO 62a_100000743108_100000210776 [0,3,0,0,0,0|0,0,0]=3 42056 B12R0.5 CCCCOCCSCCCOC 62a_100000709357_100000743108 [0,3,0,0,0,0|0,0,0]=3 42057 B12R0.5 CCCCOCCSCCCOC 62a_100000743108_100000709357 [0,3,0,0,0,0|0,0,0]=3 42058 B12R0.5 CCCCOCCSCCOCC 62a_100000210147_100000743108 [0,3,0,0,0,0|0,0,0]=3 42059 B12R0.5 CCCCOCCSCCOCC 62a_100000743108_100011215890 [0,3,0,0,0,0|0,0,0]=3 42060 B12R0.5 CCCCOCCSCCSC#N 62a_100000034367_100000743108 [0,3,0,0,0,0|0,0,1]=4 42061 B12R0.5 CCCCOCCSCCSC#N 62a_100000743108_100000034367 [0,3,0,0,0,0|0,0,1]=4 42062 B12R0.5 CCCCOCCSCCSCC 62a_100000743108_100000757381 [0,3,0,0,0,0|0,0,0]=3 42063 B12R0.5 CCCCOCCSCCSCC 62a_100000757381_100000743108 [0,3,0,0,0,0|0,0,0]=3 42064 B12R0.5 CCCCOCNCCCCCO 2230a_100000762737_100011995733 [0,3,0,0,0,0|0,0,0]=3 42065 B12R0.5 CCCCOCNCCCCCO 34a_100000762737_100011995733 [0,3,0,0,0,0|0,0,0]=3 42066 B12R0.5 CCCCOCNCCCN=[N+]=[N-] 2230a_100000744732_100011995733 [0,3,0,0,0,0|1,0,0]=4 42067 B12R0.5 CCCCOCNCCCOCC 2230a_100000210961_100011995733 [0,3,0,0,0,0|0,0,0]=3 42068 B12R0.5 CCCCOCNCCCOCC 34a_100000210961_100011995733 [0,3,0,0,0,0|0,0,0]=3 42069 B12R0.5 CCCCOCNCCOCCC 2230a_100161115042_100011995733 [0,3,0,0,0,0|0,0,0]=3 42070 B12R0.5 CCCCOCNCCOCCC 34a_100161115042_100011995733 [0,3,0,0,0,0|0,0,0]=3 42071 B12R0.5 CCCCOCNCCOCCO 2230a_100000211614_100011995733 [0,3,0,0,0,0|0,0,0]=3 42072 B12R0.5 CCCCOCNCCOCCO 34a_100000211614_100011995733 [0,3,0,0,0,0|0,0,0]=3 42073 B12R0.5 CCCCOCNCCSCCC 2230a_100020603323_100011995733 [0,3,0,0,0,0|0,0,0]=3 42074 B12R0.5 CCCCOCNCCSCCO 2230a_100011219999_100011995733 [0,3,0,0,0,0|0,0,0]=3 42075 B12R0.5 CCCCOCOCCCCCBr 34a_100000746331_100011995733 [0,3,0,0,0,0|0,0,0]=3 42076 B12R0.5 CCCCOCOCCCCCCl 34a_100000746330_100011995733 [0,3,0,0,0,0|0,0,0]=3 42077 B12R0.5 CCCCOCOCCCCCI 34a_200012148887_100011995733 [0,3,0,0,0,0|0,0,0]=3 42078 B12R0.5 CCCCOCOCCCCCN 34a_100000762737_100011995733 [0,3,0,0,0,0|0,0,0]=3 42079 B12R0.5 CCCCOCOCCCCOC 34a_100000740925_100011995733 [0,3,0,0,0,0|0,0,0]=3 42080 B12R0.5 CCCCOCOCCCCSC 34a_100011217163_100011995733 [0,3,0,0,0,0|0,0,0]=3 42081 B12R0.5 CCCCOCOCCCOCC 34a_100000757476_100011995733 [0,3,0,0,0,0|0,0,0]=3 42082 B12R0.5 CCCCOCOCCCSCC 34a_100011216438_100011995733 [0,3,0,0,0,0|0,0,0]=3 42083 B12R0.5 CCCCOCOCCOCCBr 34a_100000692535_100011995733 [0,3,0,0,0,0|0,0,0]=3 42084 B12R0.5 CCCCOCOCCOCCC 34a_100000752267_100011995733 [0,3,0,0,0,0|0,0,0]=3 42085 B12R0.5 CCCCOCOCCOCCCl 34a_100011215305_100011995733 [0,3,0,0,0,0|0,0,0]=3 42086 B12R0.5 CCCCOCOCCOCCF 34a_200015357709_100011995733 [0,3,0,0,0,0|0,0,0]=3 42087 B12R0.5 CCCCOCOCCOCCI 34a_100012149058_100011995733 [0,3,0,0,0,0|0,0,0]=3 42088 B12R0.5 CCCCOCOCCOCCN 34a_100000211614_100011995733 [0,3,0,0,0,0|0,0,0]=3 42089 B12R0.5 CCCCOCOCCSCCC 34a_200000230433_100011995733 [0,3,0,0,0,0|0,0,0]=3 42090 B12R0.5 CCCCOCSCCCCC#N 62a_100011219923_100011995733 [0,3,0,0,0,0|0,0,0]=3 42091 B12R0.5 CCCCOCSCCCCC#N 62a_100011995733_100000211819 [0,3,0,0,0,0|0,0,0]=3 42092 B12R0.5 CCCCOCSCCCCC=O 62a_100000139335_100011995733 [0,3,0,0,0,0|0,0,0]=3 42093 B12R0.5 CCCCOCSCCCCC=O 62a_100011995733_100000139335 [0,3,0,0,0,0|0,0,0]=3 42094 B12R0.5 CCCCOCSCCCCCF 62a_100000729378_100011995733 [0,3,0,0,0,0|0,0,0]=3 42095 B12R0.5 CCCCOCSCCCCCF 62a_100011995733_100000729378 [0,3,0,0,0,0|0,0,0]=3 42096 B12R0.5 CCCCOCSCCCCCO 62a_100000746330_100011995733 [0,3,0,0,0,0|0,0,0]=3 42097 B12R0.5 CCCCOCSCCCCCO 62a_100011995733_100000746330 [0,3,0,0,0,0|0,0,0]=3 42098 B12R0.5 CCCCOCSCCCCOC 62a_100000730899_100011995733 [0,3,0,0,0,0|0,0,0]=3 42099 B12R0.5 CCCCOCSCCCCOC 62a_100011995733_100000730899 [0,3,0,0,0,0|0,0,0]=3 42100 B12R0.5 CCCCOCSCCCOCC 62a_100011995733_100012232248 [0,3,0,0,0,0|0,0,0]=3 42101 B12R0.5 CCCCOCSCCCOCC 62a_100012232248_100011995733 [0,3,0,0,0,0|0,0,0]=3 42102 B12R0.5 CCCCOCSCCOCC#N 62a_100011995733_200000047693 [0,3,0,0,0,0|0,0,1]=4 42103 B12R0.5 CCCCOCSCCOCC#N 62a_200000047693_100011995733 [0,3,0,0,0,0|0,0,1]=4 42104 B12R0.5 CCCCOCSCCOCCC 62a_100011215938_100011995733 [0,3,0,0,0,0|0,0,0]=3 42105 B12R0.5 CCCCOCSCCOCCC 62a_100011995733_100011215938 [0,3,0,0,0,0|0,0,0]=3 42106 B12R0.5 CCCCOCSCCOCCO 62a_100011215305_100011995733 [0,3,0,0,0,0|0,0,0]=3 42107 B12R0.5 CCCCOCSCCOCCO 62a_100011995733_100011215305 [0,3,0,0,0,0|0,0,0]=3 42108 B12R0.5 CCCCOCSCOCCCC 62a_100011995733_100011995733 [0,3,0,0,0,0|0,0,0]=3 42109 B12R0.5 CCCCOCSCOCCOC 62a_100000231047_100011995733 [0,3,0,0,0,0|0,0,0]=3 42110 B12R0.5 CCCCOCSCOCCOC 62a_100011995733_100000231047 [0,3,0,0,0,0|0,0,0]=3 42111 B12R0.5 CCCCSCCCCCCC#N 62a_100000210211_100009813337 [0,3,0,0,0,0|0,1,0]=4 42112 B12R0.5 CCCCSCCCCCCC#N 62a_100009813337_100000210210 [0,3,0,0,0,0|0,1,0]=4 42113 B12R0.5 CCCCSCCCCCCCO 62a_100000210211_100000760002 [0,3,0,0,0,0|0,1,0]=4 42114 B12R0.5 CCCCSCCCCCCCO 62a_100000760002_100000210210 [0,3,0,0,0,0|0,1,0]=4 42115 B12R0.5 CCCCSCCCCCCOC 62a_100000210211_100011998445 [0,3,0,0,0,0|0,1,0]=4 42116 B12R0.5 CCCCSCCCCCCOC 62a_100011998445_100000210210 [0,3,0,0,0,0|0,1,0]=4 42117 B12R0.5 CCCCSCCCOCCOC 62a_100000210211_100011216529 [0,3,0,0,0,0|0,1,0]=4 42118 B12R0.5 CCCCSCCCOCCOC 62a_100011216529_100000210210 [0,3,0,0,0,0|0,1,0]=4 42119 B12R0.5 CCCCSCCNCCCC#N 2230a_100025743550_100000687738 [0,3,0,0,0,0|0,1,0]=4 42120 B12R0.5 CCCCSCCNCCCC=O 2230a_100025743550_200011292268 [0,3,0,0,0,0|0,1,0]=4 42121 B12R0.5 CCCCSCCNCCCCF 2230a_100025743550_100000729493 [0,3,0,0,0,0|0,1,0]=4 42122 B12R0.5 CCCCSCCNCCCCO 2230a_100025743550_100000210776 [0,3,0,0,0,0|0,1,0]=4 42123 B12R0.5 CCCCSCCNCCCOC 2230a_100025743550_100000740836 [0,3,0,0,0,0|0,1,0]=4 42124 B12R0.5 CCCCSCCNCCOCC 2230a_100025743550_100011215890 [0,3,0,0,0,0|0,1,0]=4 42125 B12R0.5 CCCCSCCNCCSCC 2230a_100025743550_100000757381 [0,3,0,0,0,0|0,1,0]=4 42126 B12R0.5 CCCCSCCOCCCC#N 7a_200000230436_100000687738 [0,3,0,0,0,0|0,0,1]=4 42127 B12R0.5 CCCCSCCOCCCC=O 7a_200000230436_200011292268 [0,3,0,0,0,0|0,0,1]=4 42128 B12R0.5 CCCCSCCOCCCCF 34a_200000230436_100000729493 [0,3,0,0,0,0|0,0,0]=3 42129 B12R0.5 CCCCSCCOCCCCF 7a_200000230436_100000729493 [0,3,0,0,0,0|0,0,0]=3 42130 B12R0.5 CCCCSCCOCCCCO 34a_200000230436_100011216708 [0,3,0,0,0,0|0,0,0]=3 42131 B12R0.5 CCCCSCCOCCCCO 7a_200000230436_100000210776 [0,3,0,0,0,0|0,0,0]=3 42132 B12R0.5 CCCCSCCOCCCOC 34a_200000230436_100000740836 [0,3,0,0,0,0|0,0,0]=3 42133 B12R0.5 CCCCSCCOCCCOC 7a_200000230436_100000740836 [0,3,0,0,0,0|0,0,0]=3 42134 B12R0.5 CCCCSCCOCCOCC 34a_200000230436_100000210147 [0,3,0,0,0,0|0,0,0]=3 42135 B12R0.5 CCCCSCCOCCOCC 62a_100000210211_100011211534 [0,3,0,0,0,0|0,0,0]=3 42136 B12R0.5 CCCCSCCOCCOCC 62a_100011211534_100000210210 [0,3,0,0,0,0|0,0,0]=3 42137 B12R0.5 CCCCSCCOCCOCC 7a_200000230436_100011215890 [0,3,0,0,0,0|0,0,0]=3 42138 B12R0.5 CCCCSCCOCCSCC 34a_200000230436_100000757381 [0,3,0,0,0,0|0,0,0]=3 42139 B12R0.5 CCCCSCCOCCSCC 7a_200000230436_100000757381 [0,3,0,0,0,0|0,0,0]=3 42140 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [0,3,0,0,0,0|1,0,0]=4 42141 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [0,3,0,0,0,0|1,0,0]=4 42142 B12R0.5 CCCNCCOCCOCCC 2230a_200011904461_100000210303 [0,3,0,0,0,0|0,0,0]=3 42143 B12R0.5 CCCNCCOCCOCCC 34a_200011904461_100000210303 [0,3,0,0,0,0|0,0,0]=3 42144 B12R0.5 CCCNCCOCCOCCO 2230a_100011998139_100000210303 [0,3,0,0,0,0|0,0,0]=3 42145 B12R0.5 CCCNCCOCCOCCO 34a_100011998139_100000210303 [0,3,0,0,0,0|0,0,0]=3 42146 B12R0.5 CCCOCCCCCCCCBr 34a_100009813846_100000210303 [0,3,0,0,0,0|1,0,0]=4 42147 B12R0.5 CCCOCCCCCCCCBr 7a_100009813846_100000210303 [0,3,0,0,0,0|1,0,0]=4 42148 B12R0.5 CCCOCCCCCCCCCl 34a_100000033203_100000210303 [0,3,0,0,0,0|1,0,0]=4 42149 B12R0.5 CCCOCCCCCCCCCl 7a_100000033203_100000210303 [0,3,0,0,0,0|1,0,0]=4 42150 B12R0.5 CCCOCCCCCCCCN 34a_102515433106_100000210303 [0,3,0,0,0,0|1,0,0]=4 42151 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [0,3,0,0,0,0|1,0,0]=4 42152 B12R0.5 CCCOCCCCCNCCN 34a_103619048469_100000210303 [0,3,0,0,0,0|1,0,0]=4 42153 B12R0.5 CCCOCCCNCCCCF 2230a_100011217757_100000729493 [0,3,0,0,0,0|1,0,0]=4 42154 B12R0.5 CCCOCCCNCCCCF 34a_100011217757_100000729493 [0,3,0,0,0,0|1,0,0]=4 42155 B12R0.5 CCCOCCCNCCCCO 2230a_100011217757_100000210776 [0,3,0,0,0,0|1,0,0]=4 42156 B12R0.5 CCCOCCCNCCCCO 34a_100011217757_100011216708 [0,3,0,0,0,0|1,0,0]=4 42157 B12R0.5 CCCOCCCNCCCOC 2230a_100011217757_100000740836 [0,3,0,0,0,0|1,0,0]=4 42158 B12R0.5 CCCOCCCNCCCOC 34a_100011217757_100000740836 [0,3,0,0,0,0|1,0,0]=4 42159 B12R0.5 CCCOCCCNCCOCC 2230a_100011217757_100011215890 [0,3,0,0,0,0|1,0,0]=4 42160 B12R0.5 CCCOCCCNCCOCC 34a_100011217757_100000210147 [0,3,0,0,0,0|1,0,0]=4 42161 B12R0.5 CCCOCCCNCCSCC 2230a_100011217757_100000757381 [0,3,0,0,0,0|1,0,0]=4 42162 B12R0.5 CCCOCCCNCCSCC 34a_100011217757_100000757381 [0,3,0,0,0,0|1,0,0]=4 42163 B12R0.5 CCCOCCCOCCCOC 34a_200011215475_100000210303 [0,3,0,0,0,0|0,0,0]=3 42164 B12R0.5 CCCOCCCOCCCOC 7a_200011215475_100000210303 [0,3,0,0,0,0|0,0,0]=3 42165 B12R0.5 CCCOCCNCCCCC#N 2230a_100161115042_100000211819 [0,3,0,0,0,0|1,0,0]=4 42166 B12R0.5 CCCOCCNCCCCC=O 2230a_100161115042_100000139335 [0,3,0,0,0,0|1,0,0]=4 42167 B12R0.5 CCCOCCNCCCCCF 2230a_100161115042_100000729378 [0,3,0,0,0,0|1,0,0]=4 42168 B12R0.5 CCCOCCNCCCCCF 34a_100161115042_100000729378 [0,3,0,0,0,0|1,0,0]=4 42169 B12R0.5 CCCOCCNCCCCCO 2230a_100000762737_100011215938 [0,3,0,0,0,0|1,0,0]=4 42170 B12R0.5 CCCOCCNCCCCCO 2230a_100161115042_100000746330 [0,3,0,0,0,0|1,0,0]=4 42171 B12R0.5 CCCOCCNCCCCCO 34a_100000762737_100011215938 [0,3,0,0,0,0|1,0,0]=4 42172 B12R0.5 CCCOCCNCCCCCO 34a_100161115042_100000746330 [0,3,0,0,0,0|1,0,0]=4 42173 B12R0.5 CCCOCCNCCCCOC 2230a_100161115042_100000730899 [0,3,0,0,0,0|1,0,0]=4 42174 B12R0.5 CCCOCCNCCCCOC 34a_100161115042_100000755781 [0,3,0,0,0,0|1,0,0]=4 42175 B12R0.5 CCCOCCNCCCOCC 2230a_100000210961_100011215938 [0,3,0,0,0,0|1,0,0]=4 42176 B12R0.5 CCCOCCNCCCOCC 2230a_100161115042_100012232248 [0,3,0,0,0,0|1,0,0]=4 42177 B12R0.5 CCCOCCNCCCOCC 34a_100000210961_100011215938 [0,3,0,0,0,0|1,0,0]=4 42178 B12R0.5 CCCOCCNCCCOCC 34a_100161115042_100012232248 [0,3,0,0,0,0|1,0,0]=4 42179 B12R0.5 CCCOCCNCCOCCC 2230a_100161115042_100011215938 [0,3,0,0,0,0|1,0,0]=4 42180 B12R0.5 CCCOCCNCCOCCC 34a_100161115042_100011215938 [0,3,0,0,0,0|1,0,0]=4 42181 B12R0.5 CCCOCCNCCOCCO 2230a_100000211614_100011215938 [0,3,0,0,0,0|1,0,0]=4 42182 B12R0.5 CCCOCCNCCOCCO 2230a_100161115042_100011215305 [0,3,0,0,0,0|1,0,0]=4 42183 B12R0.5 CCCOCCNCCOCCO 34a_100000211614_100011215938 [0,3,0,0,0,0|1,0,0]=4 42184 B12R0.5 CCCOCCNCCOCCO 34a_100161115042_100000692535 [0,3,0,0,0,0|1,0,0]=4 42185 B12R0.5 CCCOCCNCCSCCC 2230a_100020603323_100011215938 [0,3,0,0,0,0|1,0,0]=4 42186 B12R0.5 CCCOCCNCCSCCO 2230a_100011219999_100011215938 [0,3,0,0,0,0|1,0,0]=4 42187 B12R0.5 CCCOCCNCOCCOC 2230a_100161115042_100000231047 [0,3,0,0,0,0|1,0,0]=4 42188 B12R0.5 CCCOCCOCCCCC#N 7a_100000752267_100000211819 [0,3,0,0,0,0|0,0,0]=3 42189 B12R0.5 CCCOCCOCCCCC=O 7a_100000752267_100000139335 [0,3,0,0,0,0|0,0,0]=3 42190 B12R0.5 CCCOCCOCCCCCBr 34a_100000746331_100011215938 [0,3,0,0,0,0|0,0,0]=3 42191 B12R0.5 CCCOCCOCCCCCBr 7a_100000746331_100011215938 [0,3,0,0,0,0|0,0,0]=3 42192 B12R0.5 CCCOCCOCCCCCCl 34a_100000746330_100011215938 [0,3,0,0,0,0|0,0,0]=3 42193 B12R0.5 CCCOCCOCCCCCCl 7a_100000746330_100011215938 [0,3,0,0,0,0|0,0,0]=3 42194 B12R0.5 CCCOCCOCCCCCF 34a_100000752267_100000729378 [0,3,0,0,0,0|0,0,0]=3 42195 B12R0.5 CCCOCCOCCCCCF 7a_100000752267_100000729378 [0,3,0,0,0,0|0,0,0]=3 42196 B12R0.5 CCCOCCOCCCCCI 34a_200012148887_100011215938 [0,3,0,0,0,0|0,0,0]=3 42197 B12R0.5 CCCOCCOCCCCCI 7a_200012148887_100011215938 [0,3,0,0,0,0|0,0,0]=3 42198 B12R0.5 CCCOCCOCCCCCN 34a_100000762737_100011215938 [0,3,0,0,0,0|0,0,0]=3 42199 B12R0.5 CCCOCCOCCCCCO 34a_100000752267_100000746330 [0,3,0,0,0,0|0,0,0]=3 42200 B12R0.5 CCCOCCOCCCCCO 7a_100000752267_100000746330 [0,3,0,0,0,0|0,0,0]=3 42201 B12R0.5 CCCOCCOCCCCOC 34a_100000740925_100011215938 [0,3,0,0,0,0|0,0,0]=3 42202 B12R0.5 CCCOCCOCCCCOC 34a_100000752267_100000755781 [0,3,0,0,0,0|0,0,0]=3 42203 B12R0.5 CCCOCCOCCCCOC 7a_100000752267_100000730899 [0,3,0,0,0,0|0,0,0]=3 42204 B12R0.5 CCCOCCOCCCCSC 34a_100011217163_100011215938 [0,3,0,0,0,0|0,0,0]=3 42205 B12R0.5 CCCOCCOCCCCSC 7a_100011217163_100011215938 [0,3,0,0,0,0|0,0,0]=3 42206 B12R0.5 CCCOCCOCCCOCC 34a_100000752267_100012232248 [0,3,0,0,0,0|0,0,0]=3 42207 B12R0.5 CCCOCCOCCCOCC 34a_100000757476_100011215938 [0,3,0,0,0,0|0,0,0]=3 42208 B12R0.5 CCCOCCOCCCOCC 7a_100000752267_100012232248 [0,3,0,0,0,0|0,0,0]=3 42209 B12R0.5 CCCOCCOCCCOCC 7a_100000757476_100011215938 [0,3,0,0,0,0|0,0,0]=3 42210 B12R0.5 CCCOCCOCCCSCC 34a_100011216438_100011215938 [0,3,0,0,0,0|0,0,0]=3 42211 B12R0.5 CCCOCCOCCCSCC 7a_100011216438_100011215938 [0,3,0,0,0,0|0,0,0]=3 42212 B12R0.5 CCCOCCOCCNCC#N 2230a_200011904461_100011215382 [0,3,0,0,0,0|0,0,1]=4 42213 B12R0.5 CCCOCCOCCNCC=O 2230a_200011904461_200015260668 [0,3,0,0,0,0|0,0,1]=4 42214 B12R0.5 CCCOCCOCCNCC=O 34a_200011904461_200009817547 [0,3,0,0,0,0|0,0,1]=4 42215 B12R0.5 CCCOCCOCCNCCF 2230a_200011904461_100011217306 [0,3,0,0,0,0|0,0,0]=3 42216 B12R0.5 CCCOCCOCCNCCF 34a_200011904461_100011217306 [0,3,0,0,0,0|0,0,0]=3 42217 B12R0.5 CCCOCCOCCNCCO 2230a_200011904461_100000211926 [0,3,0,0,0,0|0,0,0]=3 42218 B12R0.5 CCCOCCOCCNCCO 34a_200011904461_100000211926 [0,3,0,0,0,0|0,0,0]=3 42219 B12R0.5 CCCOCCOCCNCOC 2230a_200011904461_100000766300 [0,3,0,0,0,0|0,0,0]=3 42220 B12R0.5 CCCOCCOCCNCSC 2230a_200011904461_100011218213 [0,3,0,0,0,0|0,0,0]=3 42221 B12R0.5 CCCOCCOCCNCSC 34a_200011904461_100011218213 [0,3,0,0,0,0|0,0,0]=3 42222 B12R0.5 CCCOCCOCCOCC#N 7a_100000752267_200000047693 [0,3,0,0,0,0|0,0,1]=4 42223 B12R0.5 CCCOCCOCCOCCBr 34a_100000692535_100011215938 [0,3,0,0,0,0|0,0,0]=3 42224 B12R0.5 CCCOCCOCCOCCBr 34a_100010132937_100000210303 [0,3,0,0,0,0|0,0,0]=3 42225 B12R0.5 CCCOCCOCCOCCBr 7a_100000692535_100011215938 [0,3,0,0,0,0|0,0,0]=3 42226 B12R0.5 CCCOCCOCCOCCBr 7a_100010132937_100000210303 [0,3,0,0,0,0|0,0,0]=3 42227 B12R0.5 CCCOCCOCCOCCC 34a_100000752267_100011215938 [0,3,0,0,0,0|0,0,0]=3 42228 B12R0.5 CCCOCCOCCOCCC 7a_100000752267_100011215938 [0,3,0,0,0,0|0,0,0]=3 42229 B12R0.5 CCCOCCOCCOCCCl 34a_100000032323_100000210303 [0,3,0,0,0,0|0,0,0]=3 42230 B12R0.5 CCCOCCOCCOCCCl 34a_100011215305_100011215938 [0,3,0,0,0,0|0,0,0]=3 42231 B12R0.5 CCCOCCOCCOCCCl 7a_100000032323_100000210303 [0,3,0,0,0,0|0,0,0]=3 42232 B12R0.5 CCCOCCOCCOCCCl 7a_100011215305_100011215938 [0,3,0,0,0,0|0,0,0]=3 42233 B12R0.5 CCCOCCOCCOCCF 34a_200015357709_100011215938 [0,3,0,0,0,0|0,0,0]=3 42234 B12R0.5 CCCOCCOCCOCCF 7a_200015357709_100011215938 [0,3,0,0,0,0|0,0,0]=3 42235 B12R0.5 CCCOCCOCCOCCI 34a_100012149058_100011215938 [0,3,0,0,0,0|0,0,0]=3 42236 B12R0.5 CCCOCCOCCOCCI 7a_100012149058_100011215938 [0,3,0,0,0,0|0,0,0]=3 42237 B12R0.5 CCCOCCOCCOCCN 34a_100000211614_100011215938 [0,3,0,0,0,0|0,0,0]=3 42238 B12R0.5 CCCOCCOCCOCCN 34a_100011998139_100000210303 [0,3,0,0,0,0|0,0,0]=3 42239 B12R0.5 CCCOCCOCCOCCO 34a_100000210258_100000032323 [0,3,0,0,0,0|0,0,0]=3 42240 B12R0.5 CCCOCCOCCOCCO 34a_100000752267_100000692535 [0,3,0,0,0,0|0,0,0]=3 42241 B12R0.5 CCCOCCOCCOCCO 7a_100000752267_100011215305 [0,3,0,0,0,0|0,0,0]=3 42242 B12R0.5 CCCOCCOCCSCCC 34a_200000230433_100011215938 [0,3,0,0,0,0|0,0,0]=3 42243 B12R0.5 CCCOCCOCCSCCC 7a_200000230433_100011215938 [0,3,0,0,0,0|0,0,0]=3 42244 B12R0.5 CCCOCCSCCCCC#N 62a_100011215938_100000211819 [0,3,0,0,0,0|0,1,0]=4 42245 B12R0.5 CCCOCCSCCCCC#N 62a_100011219923_100011215938 [0,3,0,0,0,0|0,1,0]=4 42246 B12R0.5 CCCOCCSCCCCC=O 62a_100000139335_100011215938 [0,3,0,0,0,0|0,1,0]=4 42247 B12R0.5 CCCOCCSCCCCC=O 62a_100011215938_100000139335 [0,3,0,0,0,0|0,1,0]=4 42248 B12R0.5 CCCOCCSCCCCCF 62a_100000729378_100011215938 [0,3,0,0,0,0|0,1,0]=4 42249 B12R0.5 CCCOCCSCCCCCF 62a_100011215938_100000729378 [0,3,0,0,0,0|0,1,0]=4 42250 B12R0.5 CCCOCCSCCCCCO 62a_100000746330_100011215938 [0,3,0,0,0,0|0,1,0]=4 42251 B12R0.5 CCCOCCSCCCCCO 62a_100011215938_100000746330 [0,3,0,0,0,0|0,1,0]=4 42252 B12R0.5 CCCOCCSCCCCOC 62a_100000730899_100011215938 [0,3,0,0,0,0|0,1,0]=4 42253 B12R0.5 CCCOCCSCCCCOC 62a_100011215938_100000730899 [0,3,0,0,0,0|0,1,0]=4 42254 B12R0.5 CCCOCCSCCCOCC 62a_100011215938_100012232248 [0,3,0,0,0,0|0,1,0]=4 42255 B12R0.5 CCCOCCSCCCOCC 62a_100012232248_100011215938 [0,3,0,0,0,0|0,1,0]=4 42256 B12R0.5 CCCOCCSCCOCCC 62a_100011215938_100011215938 [0,3,0,0,0,0|0,1,0]=4 42257 B12R0.5 CCCOCCSCCOCCO 62a_100011215305_100011215938 [0,3,0,0,0,0|0,1,0]=4 42258 B12R0.5 CCCOCCSCCOCCO 62a_100011215938_100011215305 [0,3,0,0,0,0|0,1,0]=4 42259 B12R0.5 CCCOCCSCOCCOC 62a_100000231047_100011215938 [0,3,0,0,0,0|0,1,0]=4 42260 B12R0.5 CCCOCCSCOCCOC 62a_100011215938_100000231047 [0,3,0,0,0,0|0,1,0]=4 42261 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [0,3,0,0,0,0|1,0,0]=4 42262 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [0,3,0,0,0,0|1,0,0]=4 42263 B12R0.5 CCCSCCNCCCCC#N 2230a_100020603323_100000211819 [0,3,0,0,0,0|1,0,0]=4 42264 B12R0.5 CCCSCCNCCCCC=O 2230a_100020603323_100000139335 [0,3,0,0,0,0|1,0,0]=4 42265 B12R0.5 CCCSCCNCCCCCF 2230a_100020603323_100000729378 [0,3,0,0,0,0|1,0,0]=4 42266 B12R0.5 CCCSCCNCCCCCO 2230a_100020603323_100000746330 [0,3,0,0,0,0|1,0,0]=4 42267 B12R0.5 CCCSCCNCCCCOC 2230a_100020603323_100000730899 [0,3,0,0,0,0|1,0,0]=4 42268 B12R0.5 CCCSCCNCCCOCC 2230a_100020603323_100012232248 [0,3,0,0,0,0|1,0,0]=4 42269 B12R0.5 CCCSCCNCCOCCO 2230a_100020603323_100011215305 [0,3,0,0,0,0|1,0,0]=4 42270 B12R0.5 CCCSCCNCOCCOC 2230a_100020603323_100000231047 [0,3,0,0,0,0|1,0,0]=4 42271 B12R0.5 CCCSCCOCCCCC#N 7a_200000230433_100000211819 [0,3,0,0,0,0|0,0,0]=3 42272 B12R0.5 CCCSCCOCCCCC=O 7a_200000230433_100000139335 [0,3,0,0,0,0|0,0,0]=3 42273 B12R0.5 CCCSCCOCCCCCF 34a_200000230433_100000729378 [0,3,0,0,0,0|0,0,0]=3 42274 B12R0.5 CCCSCCOCCCCCF 7a_200000230433_100000729378 [0,3,0,0,0,0|0,0,0]=3 42275 B12R0.5 CCCSCCOCCCCCO 34a_200000230433_100000746330 [0,3,0,0,0,0|0,0,0]=3 42276 B12R0.5 CCCSCCOCCCCCO 7a_200000230433_100000746330 [0,3,0,0,0,0|0,0,0]=3 42277 B12R0.5 CCCSCCOCCCCOC 34a_200000230433_100000755781 [0,3,0,0,0,0|0,0,0]=3 42278 B12R0.5 CCCSCCOCCCCOC 7a_200000230433_100000730899 [0,3,0,0,0,0|0,0,0]=3 42279 B12R0.5 CCCSCCOCCCOCC 34a_200000230433_100012232248 [0,3,0,0,0,0|0,0,0]=3 42280 B12R0.5 CCCSCCOCCCOCC 7a_200000230433_100012232248 [0,3,0,0,0,0|0,0,0]=3 42281 B12R0.5 CCCSCCOCCOCC#N 7a_200000230433_200000047693 [0,3,0,0,0,0|0,0,1]=4 42282 B12R0.5 CCCSCCOCCOCCO 34a_200000230433_100000692535 [0,3,0,0,0,0|0,0,0]=3 42283 B12R0.5 CCCSCCOCCOCCO 62a_100000032323_100000210303 [0,3,0,0,0,0|0,0,0]=3 42284 B12R0.5 CCCSCCOCCOCCO 62a_100000210303_100000032323 [0,3,0,0,0,0|0,0,0]=3 42285 B12R0.5 CCCSCCOCCOCCO 7a_200000230433_100011215305 [0,3,0,0,0,0|0,0,0]=3 42286 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [0,3,0,0,0,0|1,0,0]=4 42287 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [0,3,0,0,0,0|1,0,0]=4 42288 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [0,3,0,0,0,0|1,0,0]=4 42289 B12R0.5 CCNCCCOCCOCCO 2230a_100011996194_100000210202 [0,3,0,0,0,0|0,0,0]=3 42290 B12R0.5 CCNCCCOCCOCCO 34a_100011996194_100000210202 [0,3,0,0,0,0|0,0,0]=3 42291 B12R0.5 CCNCCOCCOCCOC 2230a_100012028300_100000210202 [0,3,0,0,0,0|0,0,0]=3 42292 B12R0.5 CCNCCOCCOCCOC 2230a_100015525214_100013367474 [0,3,0,0,0,0|0,0,0]=3 42293 B12R0.5 CCNCCOCCOCCOC 34a_100012028300_100000210202 [0,3,0,0,0,0|0,0,0]=3 42294 B12R0.5 CCOCCCCCCCCCBr 34a_100009813782_100000210202 [0,3,0,0,0,0|1,0,0]=4 42295 B12R0.5 CCOCCCCCCCCCBr 7a_100009813782_100000210202 [0,3,0,0,0,0|1,0,0]=4 42296 B12R0.5 CCOCCCCCCCCCCl 34a_100009868337_100000210202 [0,3,0,0,0,0|1,0,0]=4 42297 B12R0.5 CCOCCCCCCCCCCl 7a_100009868337_100000210202 [0,3,0,0,0,0|1,0,0]=4 42298 B12R0.5 CCOCCCCCCCCCN 34a_100000078944_100000210202 [0,3,0,0,0,0|1,0,0]=4 42299 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [0,3,0,0,0,0|1,0,0]=4 42300 B12R0.5 CCOCCCNCCCCC#N 2230a_100000210961_100000211819 [0,3,0,0,0,0|1,0,0]=4 42301 B12R0.5 CCOCCCNCCCCC=O 2230a_100000210961_100000139335 [0,3,0,0,0,0|1,0,0]=4 42302 B12R0.5 CCOCCCNCCCCCF 2230a_100000210961_100000729378 [0,3,0,0,0,0|1,0,0]=4 42303 B12R0.5 CCOCCCNCCCCCF 34a_100000210961_100000729378 [0,3,0,0,0,0|1,0,0]=4 42304 B12R0.5 CCOCCCNCCCCCO 2230a_100000210961_100000746330 [0,3,0,0,0,0|1,0,0]=4 42305 B12R0.5 CCOCCCNCCCCCO 2230a_100000762737_100012232248 [0,3,0,0,0,0|1,0,0]=4 42306 B12R0.5 CCOCCCNCCCCCO 34a_100000210961_100000746330 [0,3,0,0,0,0|1,0,0]=4 42307 B12R0.5 CCOCCCNCCCCCO 34a_100000762737_100012232248 [0,3,0,0,0,0|1,0,0]=4 42308 B12R0.5 CCOCCCNCCCCOC 2230a_100000210961_100000730899 [0,3,0,0,0,0|1,0,0]=4 42309 B12R0.5 CCOCCCNCCCCOC 34a_100000210961_100000755781 [0,3,0,0,0,0|1,0,0]=4 42310 B12R0.5 CCOCCCNCCCOCC 2230a_100000210961_100012232248 [0,3,0,0,0,0|1,0,0]=4 42311 B12R0.5 CCOCCCNCCCOCC 34a_100000210961_100012232248 [0,3,0,0,0,0|1,0,0]=4 42312 B12R0.5 CCOCCCNCCOCCO 2230a_100000210961_100011215305 [0,3,0,0,0,0|1,0,0]=4 42313 B12R0.5 CCOCCCNCCOCCO 2230a_100000211614_100012232248 [0,3,0,0,0,0|1,0,0]=4 42314 B12R0.5 CCOCCCNCCOCCO 34a_100000210961_100000692535 [0,3,0,0,0,0|1,0,0]=4 42315 B12R0.5 CCOCCCNCCOCCO 34a_100000211614_100012232248 [0,3,0,0,0,0|1,0,0]=4 42316 B12R0.5 CCOCCCNCCSCCO 2230a_100011219999_100012232248 [0,3,0,0,0,0|1,0,0]=4 42317 B12R0.5 CCOCCCNCOCCOC 2230a_100000210961_100000231047 [0,3,0,0,0,0|1,0,0]=4 42318 B12R0.5 CCOCCCOCCCCC#N 7a_100000757476_100000211819 [0,3,0,0,0,0|0,0,0]=3 42319 B12R0.5 CCOCCCOCCCCC=O 7a_100000757476_100000139335 [0,3,0,0,0,0|0,0,0]=3 42320 B12R0.5 CCOCCCOCCCCCBr 34a_100000746331_100012232248 [0,3,0,0,0,0|0,0,0]=3 42321 B12R0.5 CCOCCCOCCCCCBr 7a_100000746331_100012232248 [0,3,0,0,0,0|0,0,0]=3 42322 B12R0.5 CCOCCCOCCCCCCl 34a_100000746330_100012232248 [0,3,0,0,0,0|0,0,0]=3 42323 B12R0.5 CCOCCCOCCCCCCl 7a_100000746330_100012232248 [0,3,0,0,0,0|0,0,0]=3 42324 B12R0.5 CCOCCCOCCCCCF 34a_100000757476_100000729378 [0,3,0,0,0,0|0,0,0]=3 42325 B12R0.5 CCOCCCOCCCCCF 7a_100000757476_100000729378 [0,3,0,0,0,0|0,0,0]=3 42326 B12R0.5 CCOCCCOCCCCCI 34a_200012148887_100012232248 [0,3,0,0,0,0|0,0,0]=3 42327 B12R0.5 CCOCCCOCCCCCI 7a_200012148887_100012232248 [0,3,0,0,0,0|0,0,0]=3 42328 B12R0.5 CCOCCCOCCCCCN 34a_100000762737_100012232248 [0,3,0,0,0,0|0,0,0]=3 42329 B12R0.5 CCOCCCOCCCCCO 34a_100000757476_100000746330 [0,3,0,0,0,0|0,0,0]=3 42330 B12R0.5 CCOCCCOCCCCCO 7a_100000757476_100000746330 [0,3,0,0,0,0|0,0,0]=3 42331 B12R0.5 CCOCCCOCCCCOC 34a_100000740925_100012232248 [0,3,0,0,0,0|0,0,0]=3 42332 B12R0.5 CCOCCCOCCCCOC 34a_100000757476_100000755781 [0,3,0,0,0,0|0,0,0]=3 42333 B12R0.5 CCOCCCOCCCCOC 7a_100000757476_100000730899 [0,3,0,0,0,0|0,0,0]=3 42334 B12R0.5 CCOCCCOCCCCSC 34a_100011217163_100012232248 [0,3,0,0,0,0|0,0,0]=3 42335 B12R0.5 CCOCCCOCCCCSC 7a_100011217163_100012232248 [0,3,0,0,0,0|0,0,0]=3 42336 B12R0.5 CCOCCCOCCCOCC 34a_100000757476_100012232248 [0,3,0,0,0,0|0,0,0]=3 42337 B12R0.5 CCOCCCOCCCOCC 7a_100000757476_100012232248 [0,3,0,0,0,0|0,0,0]=3 42338 B12R0.5 CCOCCCOCCCSCC 34a_100011216438_100012232248 [0,3,0,0,0,0|0,0,0]=3 42339 B12R0.5 CCOCCCOCCCSCC 7a_100011216438_100012232248 [0,3,0,0,0,0|0,0,0]=3 42340 B12R0.5 CCOCCCOCCOCC#N 7a_100000757476_200000047693 [0,3,0,0,0,0|0,0,1]=4 42341 B12R0.5 CCOCCCOCCOCCBr 34a_100000692535_100012232248 [0,3,0,0,0,0|0,0,0]=3 42342 B12R0.5 CCOCCCOCCOCCBr 7a_100000692535_100012232248 [0,3,0,0,0,0|0,0,0]=3 42343 B12R0.5 CCOCCCOCCOCCCl 34a_100011215305_100012232248 [0,3,0,0,0,0|0,0,0]=3 42344 B12R0.5 CCOCCCOCCOCCCl 7a_100011215305_100012232248 [0,3,0,0,0,0|0,0,0]=3 42345 B12R0.5 CCOCCCOCCOCCF 34a_200015357709_100012232248 [0,3,0,0,0,0|0,0,0]=3 42346 B12R0.5 CCOCCCOCCOCCF 7a_200015357709_100012232248 [0,3,0,0,0,0|0,0,0]=3 42347 B12R0.5 CCOCCCOCCOCCI 34a_100012149058_100012232248 [0,3,0,0,0,0|0,0,0]=3 42348 B12R0.5 CCOCCCOCCOCCI 7a_100012149058_100012232248 [0,3,0,0,0,0|0,0,0]=3 42349 B12R0.5 CCOCCCOCCOCCN 34a_100000211614_100012232248 [0,3,0,0,0,0|0,0,0]=3 42350 B12R0.5 CCOCCCOCCOCCO 34a_100000757476_100000692535 [0,3,0,0,0,0|0,0,0]=3 42351 B12R0.5 CCOCCCOCCOCCO 7a_100000757476_100011215305 [0,3,0,0,0,0|0,0,0]=3 42352 B12R0.5 CCOCCCSCCCCC#N 62a_100011219923_100012232248 [0,3,0,0,0,0|0,1,0]=4 42353 B12R0.5 CCOCCCSCCCCC#N 62a_100012232248_100000211819 [0,3,0,0,0,0|0,1,0]=4 42354 B12R0.5 CCOCCCSCCCCC=O 62a_100000139335_100012232248 [0,3,0,0,0,0|0,1,0]=4 42355 B12R0.5 CCOCCCSCCCCC=O 62a_100012232248_100000139335 [0,3,0,0,0,0|0,1,0]=4 42356 B12R0.5 CCOCCCSCCCCCF 62a_100000729378_100012232248 [0,3,0,0,0,0|0,1,0]=4 42357 B12R0.5 CCOCCCSCCCCCF 62a_100012232248_100000729378 [0,3,0,0,0,0|0,1,0]=4 42358 B12R0.5 CCOCCCSCCCCCO 62a_100000746330_100012232248 [0,3,0,0,0,0|0,1,0]=4 42359 B12R0.5 CCOCCCSCCCCCO 62a_100012232248_100000746330 [0,3,0,0,0,0|0,1,0]=4 42360 B12R0.5 CCOCCCSCCCCOC 62a_100000730899_100012232248 [0,3,0,0,0,0|0,1,0]=4 42361 B12R0.5 CCOCCCSCCCCOC 62a_100012232248_100000730899 [0,3,0,0,0,0|0,1,0]=4 42362 B12R0.5 CCOCCCSCCCOCC 62a_100012232248_100012232248 [0,3,0,0,0,0|0,1,0]=4 42363 B12R0.5 CCOCCCSCCOCCO 62a_100011215305_100012232248 [0,3,0,0,0,0|0,1,0]=4 42364 B12R0.5 CCOCCCSCCOCCO 62a_100012232248_100011215305 [0,3,0,0,0,0|0,1,0]=4 42365 B12R0.5 CCOCCCSCOCCOC 62a_100000231047_100012232248 [0,3,0,0,0,0|0,1,0]=4 42366 B12R0.5 CCOCCCSCOCCOC 62a_100012232248_100000231047 [0,3,0,0,0,0|0,1,0]=4 42367 B12R0.5 CCOCCNCCCCCC#N 2230a_102516460346_100009813376 [0,3,0,0,0,0|1,0,0]=4 42368 B12R0.5 CCOCCNCCCCCC=O 2230a_102516460346_100000139337 [0,3,0,0,0,0|1,0,0]=4 42369 B12R0.5 CCOCCNCCCCCCF 2230a_102516460346_100015922095 [0,3,0,0,0,0|1,0,0]=4 42370 B12R0.5 CCOCCNCCCCCCF 34a_102516460346_100015922095 [0,3,0,0,0,0|1,0,0]=4 42371 B12R0.5 CCOCCNCCCCCCO 2230a_100000686447_100011215890 [0,3,0,0,0,0|1,0,0]=4 42372 B12R0.5 CCOCCNCCCCCCO 2230a_102516460346_100000766143 [0,3,0,0,0,0|1,0,0]=4 42373 B12R0.5 CCOCCNCCCCCCO 34a_100000686447_100000210147 [0,3,0,0,0,0|1,0,0]=4 42374 B12R0.5 CCOCCNCCCCCCO 34a_102516460346_100000766143 [0,3,0,0,0,0|1,0,0]=4 42375 B12R0.5 CCOCCNCCCCCOC 2230a_100000747528_100011215890 [0,3,0,0,0,0|1,0,0]=4 42376 B12R0.5 CCOCCNCCCCCOC 34a_100000747528_100000210147 [0,3,0,0,0,0|1,0,0]=4 42377 B12R0.5 CCOCCNCCOCCOC 2230a_100000745349_100011215890 [0,3,0,0,0,0|1,0,0]=4 42378 B12R0.5 CCOCCNCCOCCOC 2230a_102516460346_100000695917 [0,3,0,0,0,0|1,0,0]=4 42379 B12R0.5 CCOCCNCCOCCOC 34a_100000745349_100000210147 [0,3,0,0,0,0|1,0,0]=4 42380 B12R0.5 CCOCCNCCOCCOC 34a_102516460346_100000695917 [0,3,0,0,0,0|1,0,0]=4 42381 B12R0.5 CCOCCOCCCCCC#N 7a_100000210136_100009813376 [0,3,0,0,0,0|0,0,0]=3 42382 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [0,3,0,0,0,0|0,0,0]=3 42383 B12R0.5 CCOCCOCCCCCCBr 34a_100011215345_100000210147 [0,3,0,0,0,0|0,0,0]=3 42384 B12R0.5 CCOCCOCCCCCCBr 7a_100011215345_100011215890 [0,3,0,0,0,0|0,0,0]=3 42385 B12R0.5 CCOCCOCCCCCCCl 34a_100000766143_100000210147 [0,3,0,0,0,0|0,0,0]=3 42386 B12R0.5 CCOCCOCCCCCCCl 7a_100000766143_100011215890 [0,3,0,0,0,0|0,0,0]=3 42387 B12R0.5 CCOCCOCCCCCCF 34a_100000210136_100015922095 [0,3,0,0,0,0|0,0,0]=3 42388 B12R0.5 CCOCCOCCCCCCF 34a_100000732779_100000210147 [0,3,0,0,0,0|0,0,0]=3 42389 B12R0.5 CCOCCOCCCCCCF 7a_100000210136_100015922095 [0,3,0,0,0,0|0,0,0]=3 42390 B12R0.5 CCOCCOCCCCCCF 7a_100000732779_100011215890 [0,3,0,0,0,0|0,0,0]=3 42391 B12R0.5 CCOCCOCCCCCCN 34a_100000686447_100000210147 [0,3,0,0,0,0|0,0,0]=3 42392 B12R0.5 CCOCCOCCCCCCO 34a_100000210136_100000766143 [0,3,0,0,0,0|0,0,0]=3 42393 B12R0.5 CCOCCOCCCCCCO 7a_100000210136_100000766143 [0,3,0,0,0,0|0,0,0]=3 42394 B12R0.5 CCOCCOCCCCCNC 34a_100000722520_100000210147 [0,3,0,0,0,0|0,0,0]=3 42395 B12R0.5 CCOCCOCCNCCC#N 2230a_100102712874_100011215226 [0,3,0,0,0,0|0,0,1]=4 42396 B12R0.5 CCOCCOCCNCCCF 2230a_100015189416_100011211534 [0,3,0,0,0,0|0,0,0]=3 42397 B12R0.5 CCOCCOCCNCCCF 2230a_100102712874_100011934791 [0,3,0,0,0,0|0,0,0]=3 42398 B12R0.5 CCOCCOCCNCCCF 34a_100015189416_100011211534 [0,3,0,0,0,0|0,0,0]=3 42399 B12R0.5 CCOCCOCCNCCCF 34a_100102712874_100011934791 [0,3,0,0,0,0|0,0,0]=3 42400 B12R0.5 CCOCCOCCNCCCO 2230a_100102712874_100000230001 [0,3,0,0,0,0|0,0,0]=3 42401 B12R0.5 CCOCCOCCNCCCO 34a_100102712874_100000230001 [0,3,0,0,0,0|0,0,0]=3 42402 B12R0.5 CCOCCOCCNCCOC 2230a_100000209980_100011211534 [0,3,0,0,0,0|0,0,0]=3 42403 B12R0.5 CCOCCOCCNCCOC 2230a_100102712874_100011201679 [0,3,0,0,0,0|0,0,0]=3 42404 B12R0.5 CCOCCOCCNCCOC 34a_100102712874_100011201679 [0,3,0,0,0,0|0,0,0]=3 42405 B12R0.5 CCOCCOCCNCCSC 2230a_100020590264_100011211534 [0,3,0,0,0,0|0,0,0]=3 42406 B12R0.5 CCOCCOCCNCCSC 2230a_100102712874_100000751147 [0,3,0,0,0,0|0,0,0]=3 42407 B12R0.5 CCOCCOCCNCCSC 34a_100102712874_100000212216 [0,3,0,0,0,0|0,0,0]=3 42408 B12R0.5 CCOCCOCCOCCC#N 7a_100000210240_100000184422 [0,3,0,0,0,0|0,0,1]=4 42409 B12R0.5 CCOCCOCCOCCCBr 34a_100011217188_100011211534 [0,3,0,0,0,0|0,0,0]=3 42410 B12R0.5 CCOCCOCCOCCCCl 34a_100000230001_100011211534 [0,3,0,0,0,0|0,0,0]=3 42411 B12R0.5 CCOCCOCCOCCCF 34a_100000210240_100011934791 [0,3,0,0,0,0|0,0,0]=3 42412 B12R0.5 CCOCCOCCOCCCF 34a_100000759539_100011211534 [0,3,0,0,0,0|0,0,0]=3 42413 B12R0.5 CCOCCOCCOCCCF 7a_100000210240_100011934791 [0,3,0,0,0,0|0,0,0]=3 42414 B12R0.5 CCOCCOCCOCCCN 34a_100000182051_100011211534 [0,3,0,0,0,0|0,0,0]=3 42415 B12R0.5 CCOCCOCCOCCCN 34a_100011996194_100000210202 [0,3,0,0,0,0|0,0,0]=3 42416 B12R0.5 CCOCCOCCOCCCO 34a_100000210240_100000230001 [0,3,0,0,0,0|0,0,0]=3 42417 B12R0.5 CCOCCOCCOCCCO 7a_100000210240_100011215043 [0,3,0,0,0,0|0,0,0]=3 42418 B12R0.5 CCOCCOCCOCCNC 2230a_100012282185_200000210301 [0,3,0,0,0,0|0,0,0]=3 42419 B12R0.5 CCOCCOCCOCCNC 34a_100000228057_100000210147 [0,3,0,0,0,0|0,0,0]=3 42420 B12R0.5 CCOCCOCCOCCNC 34a_100012282185_200000210301 [0,3,0,0,0,0|0,0,0]=3 42421 B12R0.5 CCOCCOCCOCCNC 34a_200014138305_100000210202 [0,3,0,0,0,0|0,0,0]=3 42422 B12R0.5 CCOCCOCCOCCN[13CH3] 2230a_100012282185_200025704644 [0,3,0,0,0,0|0,0,0]=3 42423 B12R0.5 CCOCCOCCOCCN[13CH3] 34a_100012282185_200025704644 [0,3,0,0,0,0|0,0,0]=3 42424 B12R0.5 CCOCCOCCOCCOC 34a_100000033264_200000210301 [0,3,0,0,0,0|0,0,0]=3 42425 B12R0.5 CCOCCOCCOCCOC 34a_100000210136_100000695917 [0,3,0,0,0,0|0,0,0]=3 42426 B12R0.5 CCOCCOCCOCCOC 34a_100000210237_100011211534 [0,3,0,0,0,0|0,0,0]=3 42427 B12R0.5 CCOCCOCCOCCOC 34a_100000210240_100011201679 [0,3,0,0,0,0|0,0,0]=3 42428 B12R0.5 CCOCCOCCOCCOC 34a_100000688194_100000210202 [0,3,0,0,0,0|0,0,0]=3 42429 B12R0.5 CCOCCOCCOCCOC 34a_100011215163_100000210147 [0,3,0,0,0,0|0,0,0]=3 42430 B12R0.5 CCOCCOCCOCCOC 34a_100121572206_100013367474 [0,3,0,0,0,0|0,0,0]=3 42431 B12R0.5 CCOCCOCCOCCOC 7a_100000033264_200000210301 [0,3,0,0,0,0|0,0,0]=3 42432 B12R0.5 CCOCCOCCOCCOC 7a_100000210136_100000695917 [0,3,0,0,0,0|0,0,0]=3 42433 B12R0.5 CCOCCOCCOCCOC 7a_100000210240_100000233755 [0,3,0,0,0,0|0,0,0]=3 42434 B12R0.5 CCOCCOCCOCCOC 7a_100000688194_100000210202 [0,3,0,0,0,0|0,0,0]=3 42435 B12R0.5 CCOCCOCCOCCOC 7a_100011215163_100011215890 [0,3,0,0,0,0|0,0,0]=3 42436 B12R0.5 CCOCCOCCOCCON 34a_100000700252_100011211534 [0,3,0,0,0,0|1,0,0]=4 42437 B12R0.5 CCOCCOCCOCCO[13CH3] 34a_100000033264_200025704644 [0,3,0,0,0,0|0,0,0]=3 42438 B12R0.5 CCOCCOCCOCCO[13CH3] 7a_100000033264_200025704644 [0,3,0,0,0,0|0,0,0]=3 42439 B12R0.5 CCOCCOCCOCCSC 34a_100000210240_100000212216 [0,3,0,0,0,0|0,0,0]=3 42440 B12R0.5 CCOCCOCCOCCSC 34a_100000230434_100011211534 [0,3,0,0,0,0|0,0,0]=3 42441 B12R0.5 CCOCCOCCOCCSC 7a_100000210240_100000212216 [0,3,0,0,0,0|0,0,0]=3 42442 B12R0.5 CCOCCOCCOCCSC 7a_100000230434_100011211534 [0,3,0,0,0,0|0,0,0]=3 42443 B12R0.5 CCOCCOCCSCCC#N 62a_100011211534_100011215226 [0,3,0,0,0,0|0,0,1]=4 42444 B12R0.5 CCOCCOCCSCCC#N 62a_100011215226_100011211534 [0,3,0,0,0,0|0,0,1]=4 42445 B12R0.5 CCOCCOCCSCCCF 62a_100011211534_100011934791 [0,3,0,0,0,0|0,0,0]=3 42446 B12R0.5 CCOCCOCCSCCCF 62a_100011934791_100011211534 [0,3,0,0,0,0|0,0,0]=3 42447 B12R0.5 CCOCCOCCSCCCO 62a_100011211534_100011215043 [0,3,0,0,0,0|0,0,0]=3 42448 B12R0.5 CCOCCOCCSCCCO 62a_100011215043_100011211534 [0,3,0,0,0,0|0,0,0]=3 42449 B12R0.5 CCOCCOCCSCCOC 62a_100000233755_100011211534 [0,3,0,0,0,0|0,0,0]=3 42450 B12R0.5 CCOCCOCCSCCOC 62a_100011211534_100000233755 [0,3,0,0,0,0|0,0,0]=3 42451 B12R0.5 CCOCCOCCSCCSC 62a_100000212216_100011211534 [0,3,0,0,0,0|0,0,0]=3 42452 B12R0.5 CCOCCOCCSCCSC 62a_100011211534_100000751147 [0,3,0,0,0,0|0,0,0]=3 42453 B12R0.5 CCOCCOCCSCOCC 62a_100000739092_100011211534 [0,3,0,0,0,0|0,0,0]=3 42454 B12R0.5 CCOCCOCCSCOCC 62a_100011211534_100000739092 [0,3,0,0,0,0|0,0,0]=3 42455 B12R0.5 CCOCCSCCCCCC#N 62a_100000210147_100009813376 [0,3,0,0,0,0|0,1,0]=4 42456 B12R0.5 CCOCCSCCCCCC#N 62a_100009813376_100011215890 [0,3,0,0,0,0|0,1,0]=4 42457 B12R0.5 CCOCCSCCCCCC=O 62a_100000139337_100011215890 [0,3,0,0,0,0|0,1,0]=4 42458 B12R0.5 CCOCCSCCCCCC=O 62a_100000210147_100000139337 [0,3,0,0,0,0|0,1,0]=4 42459 B12R0.5 CCOCCSCCCCCCF 62a_100000210147_100015922095 [0,3,0,0,0,0|0,1,0]=4 42460 B12R0.5 CCOCCSCCCCCCF 62a_100015922095_100011215890 [0,3,0,0,0,0|0,1,0]=4 42461 B12R0.5 CCOCCSCCCCCCO 62a_100000210147_100000766143 [0,3,0,0,0,0|0,1,0]=4 42462 B12R0.5 CCOCCSCCCCCCO 62a_100000766143_100011215890 [0,3,0,0,0,0|0,1,0]=4 42463 B12R0.5 CCOCCSCCOCCOC 62a_100000210147_100000695917 [0,3,0,0,0,0|0,1,0]=4 42464 B12R0.5 CCOCCSCCOCCOC 62a_100000695917_100011215890 [0,3,0,0,0,0|0,1,0]=4 42465 B12R0.5 CCOCSCCCCCCCO 62a_100000739092_100000760002 [0,3,0,0,0,0|1,0,0]=4 42466 B12R0.5 CCOCSCCCCCCCO 62a_100000760002_100000739092 [0,3,0,0,0,0|1,0,0]=4 42467 B12R0.5 CCOCSCCCCCCOC 62a_100000739092_100011998445 [0,3,0,0,0,0|1,0,0]=4 42468 B12R0.5 CCOCSCCCCCCOC 62a_100011998445_100000739092 [0,3,0,0,0,0|1,0,0]=4 42469 B12R0.5 CCOCSCCCOCCOC 62a_100000739092_100011216529 [0,3,0,0,0,0|1,0,0]=4 42470 B12R0.5 CCOCSCCCOCCOC 62a_100011216529_100000739092 [0,3,0,0,0,0|1,0,0]=4 42471 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [0,3,0,0,0,0|1,0,0]=4 42472 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [0,3,0,0,0,0|1,0,0]=4 42473 B12R0.5 CCSCCCOCCCCC#N 7a_100011216438_100000211819 [0,3,0,0,0,0|0,0,0]=3 42474 B12R0.5 CCSCCCOCCCCC=O 7a_100011216438_100000139335 [0,3,0,0,0,0|0,0,0]=3 42475 B12R0.5 CCSCCCOCCCCCF 34a_100011216438_100000729378 [0,3,0,0,0,0|0,0,0]=3 42476 B12R0.5 CCSCCCOCCCCCF 7a_100011216438_100000729378 [0,3,0,0,0,0|0,0,0]=3 42477 B12R0.5 CCSCCCOCCCCCO 34a_100011216438_100000746330 [0,3,0,0,0,0|0,0,0]=3 42478 B12R0.5 CCSCCCOCCCCCO 7a_100011216438_100000746330 [0,3,0,0,0,0|0,0,0]=3 42479 B12R0.5 CCSCCCOCCCCOC 34a_100011216438_100000755781 [0,3,0,0,0,0|0,0,0]=3 42480 B12R0.5 CCSCCCOCCCCOC 7a_100011216438_100000730899 [0,3,0,0,0,0|0,0,0]=3 42481 B12R0.5 CCSCCCOCCOCC#N 7a_100011216438_200000047693 [0,3,0,0,0,0|0,0,1]=4 42482 B12R0.5 CCSCCCOCCOCCO 34a_100011216438_100000692535 [0,3,0,0,0,0|0,0,0]=3 42483 B12R0.5 CCSCCCOCCOCCO 7a_100011216438_100011215305 [0,3,0,0,0,0|0,0,0]=3 42484 B12R0.5 CCSCCNCCCCCC#N 2230a_100000106463_100009813376 [0,3,0,0,0,0|1,0,0]=4 42485 B12R0.5 CCSCCNCCCCCC=O 2230a_100000106463_100000139337 [0,3,0,0,0,0|1,0,0]=4 42486 B12R0.5 CCSCCNCCCCCCF 2230a_100000106463_100015922095 [0,3,0,0,0,0|1,0,0]=4 42487 B12R0.5 CCSCCNCCCCCCO 2230a_100000106463_100000766143 [0,3,0,0,0,0|1,0,0]=4 42488 B12R0.5 CCSCCNCCCCCCO 2230a_100000686447_100000757381 [0,3,0,0,0,0|1,0,0]=4 42489 B12R0.5 CCSCCNCCCCCCO 34a_100000686447_100000757381 [0,3,0,0,0,0|1,0,0]=4 42490 B12R0.5 CCSCCNCCCCCOC 2230a_100000747528_100000757381 [0,3,0,0,0,0|1,0,0]=4 42491 B12R0.5 CCSCCNCCCCCOC 34a_100000747528_100000757381 [0,3,0,0,0,0|1,0,0]=4 42492 B12R0.5 CCSCCNCCOCCOC 2230a_100000106463_100000695917 [0,3,0,0,0,0|1,0,0]=4 42493 B12R0.5 CCSCCNCCOCCOC 2230a_100000745349_100000757381 [0,3,0,0,0,0|1,0,0]=4 42494 B12R0.5 CCSCCNCCOCCOC 34a_100000745349_100000757381 [0,3,0,0,0,0|1,0,0]=4 42495 B12R0.5 CCSCCOCCCCCC#N 7a_100000212035_100009813376 [0,3,0,0,0,0|0,0,0]=3 42496 B12R0.5 CCSCCOCCCCCC=O 7a_100000212035_100000139337 [0,3,0,0,0,0|0,0,0]=3 42497 B12R0.5 CCSCCOCCCCCCBr 34a_100011215345_100000757381 [0,3,0,0,0,0|0,0,0]=3 42498 B12R0.5 CCSCCOCCCCCCBr 7a_100011215345_100000757381 [0,3,0,0,0,0|0,0,0]=3 42499 B12R0.5 CCSCCOCCCCCCCl 34a_100000766143_100000757381 [0,3,0,0,0,0|0,0,0]=3 42500 B12R0.5 CCSCCOCCCCCCCl 7a_100000766143_100000757381 [0,3,0,0,0,0|0,0,0]=3 42501 B12R0.5 CCSCCOCCCCCCF 34a_100000212035_100015922095 [0,3,0,0,0,0|0,0,0]=3 42502 B12R0.5 CCSCCOCCCCCCF 34a_100000732779_100000757381 [0,3,0,0,0,0|0,0,0]=3 42503 B12R0.5 CCSCCOCCCCCCF 7a_100000212035_100015922095 [0,3,0,0,0,0|0,0,0]=3 42504 B12R0.5 CCSCCOCCCCCCF 7a_100000732779_100000757381 [0,3,0,0,0,0|0,0,0]=3 42505 B12R0.5 CCSCCOCCCCCCN 34a_100000686447_100000757381 [0,3,0,0,0,0|0,0,0]=3 42506 B12R0.5 CCSCCOCCCCCCO 34a_100000212035_100000766143 [0,3,0,0,0,0|0,0,0]=3 42507 B12R0.5 CCSCCOCCCCCCO 7a_100000212035_100000766143 [0,3,0,0,0,0|0,0,0]=3 42508 B12R0.5 CCSCCOCCCCCNC 34a_100000722520_100000757381 [0,3,0,0,0,0|0,0,0]=3 42509 B12R0.5 CCSCCOCCOCCNC 34a_100000228057_100000757381 [0,3,0,0,0,0|0,0,0]=3 42510 B12R0.5 CCSCCOCCOCCOC 34a_100000212035_100000695917 [0,3,0,0,0,0|0,0,0]=3 42511 B12R0.5 CCSCCOCCOCCOC 34a_100011215163_100000757381 [0,3,0,0,0,0|0,0,0]=3 42512 B12R0.5 CCSCCOCCOCCOC 62a_100000210202_100013367474 [0,3,0,0,0,0|0,0,0]=3 42513 B12R0.5 CCSCCOCCOCCOC 62a_100013367474_100000210202 [0,3,0,0,0,0|0,0,0]=3 42514 B12R0.5 CCSCCOCCOCCOC 7a_100000212035_100000695917 [0,3,0,0,0,0|0,0,0]=3 42515 B12R0.5 CCSCCOCCOCCOC 7a_100011215163_100000757381 [0,3,0,0,0,0|0,0,0]=3 42516 B12R0.5 CCSCCSCCCCCC#N 62a_100000757381_100009813376 [0,3,0,0,0,0|0,1,0]=4 42517 B12R0.5 CCSCCSCCCCCC#N 62a_100009813376_100000757381 [0,3,0,0,0,0|0,1,0]=4 42518 B12R0.5 CCSCCSCCCCCC=O 62a_100000139337_100000757381 [0,3,0,0,0,0|0,1,0]=4 42519 B12R0.5 CCSCCSCCCCCC=O 62a_100000757381_100000139337 [0,3,0,0,0,0|0,1,0]=4 42520 B12R0.5 CCSCCSCCCCCCF 62a_100000757381_100015922095 [0,3,0,0,0,0|0,1,0]=4 42521 B12R0.5 CCSCCSCCCCCCF 62a_100015922095_100000757381 [0,3,0,0,0,0|0,1,0]=4 42522 B12R0.5 CCSCCSCCCCCCO 62a_100000757381_100000766143 [0,3,0,0,0,0|0,1,0]=4 42523 B12R0.5 CCSCCSCCCCCCO 62a_100000766143_100000757381 [0,3,0,0,0,0|0,1,0]=4 42524 B12R0.5 CCSCCSCCOCCOC 62a_100000695917_100000757381 [0,3,0,0,0,0|0,1,0]=4 42525 B12R0.5 CCSCCSCCOCCOC 62a_100000757381_100000695917 [0,3,0,0,0,0|0,1,0]=4 42526 B12R0.5 CNCCCCCCCCCCO 2230a_100000066964_200000210301 [0,3,0,0,0,0|1,0,0]=4 42527 B12R0.5 CNCCCCCCCCCCO 2230a_106832991635_100009813290 [0,3,0,0,0,0|1,0,0]=4 42528 B12R0.5 CNCCCCCCCCCCO 34a_100000066964_200000210301 [0,3,0,0,0,0|1,0,0]=4 42529 B12R0.5 CNCCCCCCCCCCO 34a_100102657272_100009813290 [0,3,0,0,0,0|1,0,0]=4 42530 B12R0.5 CNCCCCCCCCCCO 7a_106832991635_100009813290 [0,3,0,0,0,0|1,0,0]=4 42531 B12R0.5 CNCCCCCOCCCCF 34a_100000722520_100000729493 [0,3,0,0,0,0|0,0,0]=3 42532 B12R0.5 CNCCCCCOCCCCO 34a_100000722520_100011216708 [0,3,0,0,0,0|0,0,0]=3 42533 B12R0.5 CNCCCCCOCCCOC 34a_100000722520_100000740836 [0,3,0,0,0,0|0,0,0]=3 42534 B12R0.5 CNCCCOCCCCCCF 34a_100000213112_100015922095 [0,3,0,0,0,0|0,0,0]=3 42535 B12R0.5 CNCCCOCCCCCCO 34a_100000213112_100000766143 [0,3,0,0,0,0|0,0,0]=3 42536 B12R0.5 CNCCCOCCOCCOC 34a_100000213112_100000695917 [0,3,0,0,0,0|0,0,0]=3 42537 B12R0.5 CNCCOCCOCCCCF 34a_100000228057_100000729493 [0,3,0,0,0,0|0,0,0]=3 42538 B12R0.5 CNCCOCCOCCCCO 34a_100000228057_100011216708 [0,3,0,0,0,0|0,0,0]=3 42539 B12R0.5 CNCCOCCOCCCOC 34a_100000228057_100000740836 [0,3,0,0,0,0|0,0,0]=3 42540 B12R0.5 CNCCOCCOCCOCF 34a_200014138305_100015361967 [0,3,0,0,0,0|1,0,0]=4 42541 B12R0.5 COCCCCCCCCCCBr 34a_100009813290_200000210301 [0,3,0,0,0,0|1,0,0]=4 42542 B12R0.5 COCCCCCCCCCCBr 7a_100009813290_200000210301 [0,3,0,0,0,0|1,0,0]=4 42543 B12R0.5 COCCCCCCCCCCCl 34a_200000033068_200000210301 [0,3,0,0,0,0|1,0,0]=4 42544 B12R0.5 COCCCCCCCCCCCl 7a_200000033068_200000210301 [0,3,0,0,0,0|1,0,0]=4 42545 B12R0.5 COCCCCCCCCCCN 34a_100000066964_200000210301 [0,3,0,0,0,0|1,0,0]=4 42546 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [0,3,0,0,0,0|1,0,0]=4 42547 B12R0.5 COCCCCCCNCCCF 2230a_100015189416_100011998445 [0,3,0,0,0,0|1,0,0]=4 42548 B12R0.5 COCCCCCCNCCCF 34a_100015189416_100011998445 [0,3,0,0,0,0|1,0,0]=4 42549 B12R0.5 COCCCCCCNCCOC 2230a_100000209980_100011998445 [0,3,0,0,0,0|1,0,0]=4 42550 B12R0.5 COCCCCCCNCCSC 2230a_100020590264_100011998445 [0,3,0,0,0,0|1,0,0]=4 42551 B12R0.5 COCCCCCCOCCCBr 34a_100011217188_100011998445 [0,3,0,0,0,0|1,0,0]=4 42552 B12R0.5 COCCCCCCOCCCCl 34a_100000230001_100011998445 [0,3,0,0,0,0|1,0,0]=4 42553 B12R0.5 COCCCCCCOCCCF 34a_100000759539_100011998445 [0,3,0,0,0,0|1,0,0]=4 42554 B12R0.5 COCCCCCCOCCCF 34a_200012092642_100011934791 [0,3,0,0,0,0|1,0,0]=4 42555 B12R0.5 COCCCCCCOCCCF 7a_200012092642_100011934791 [0,3,0,0,0,0|1,0,0]=4 42556 B12R0.5 COCCCCCCOCCCN 34a_100000182051_100011998445 [0,3,0,0,0,0|1,0,0]=4 42557 B12R0.5 COCCCCCCOCCCO 34a_200012092642_100000230001 [0,3,0,0,0,0|1,0,0]=4 42558 B12R0.5 COCCCCCCOCCCO 7a_200012092642_100011215043 [0,3,0,0,0,0|1,0,0]=4 42559 B12R0.5 COCCCCCCOCCOC 34a_100000210237_100011998445 [0,3,0,0,0,0|1,0,0]=4 42560 B12R0.5 COCCCCCCOCCOC 34a_200012092642_100011201679 [0,3,0,0,0,0|1,0,0]=4 42561 B12R0.5 COCCCCCCOCCOC 7a_200012092642_100000233755 [0,3,0,0,0,0|1,0,0]=4 42562 B12R0.5 COCCCCCCOCCSC 34a_100000230434_100011998445 [0,3,0,0,0,0|1,0,0]=4 42563 B12R0.5 COCCCCCCOCCSC 34a_200012092642_100000212216 [0,3,0,0,0,0|1,0,0]=4 42564 B12R0.5 COCCCCCCOCCSC 7a_100000230434_100011998445 [0,3,0,0,0,0|1,0,0]=4 42565 B12R0.5 COCCCCCCOCCSC 7a_200012092642_100000212216 [0,3,0,0,0,0|1,0,0]=4 42566 B12R0.5 COCCCCCCSCCCF 62a_100011934791_100011998445 [0,3,0,0,0,0|1,0,0]=4 42567 B12R0.5 COCCCCCCSCCCF 62a_100011998445_100011934791 [0,3,0,0,0,0|1,0,0]=4 42568 B12R0.5 COCCCCCCSCCCO 62a_100011215043_100011998445 [0,3,0,0,0,0|1,0,0]=4 42569 B12R0.5 COCCCCCCSCCCO 62a_100011998445_100011215043 [0,3,0,0,0,0|1,0,0]=4 42570 B12R0.5 COCCCCCCSCCOC 62a_100000233755_100011998445 [0,3,0,0,0,0|1,0,0]=4 42571 B12R0.5 COCCCCCCSCCOC 62a_100011998445_100000233755 [0,3,0,0,0,0|1,0,0]=4 42572 B12R0.5 COCCCCCCSCCSC 62a_100000212216_100011998445 [0,3,0,0,0,0|1,0,0]=4 42573 B12R0.5 COCCCCCCSCCSC 62a_100011998445_100000751147 [0,3,0,0,0,0|1,0,0]=4 42574 B12R0.5 COCCCCCNCCCCF 2230a_100000747528_100000729493 [0,3,0,0,0,0|1,0,0]=4 42575 B12R0.5 COCCCCCNCCCCF 34a_100000747528_100000729493 [0,3,0,0,0,0|1,0,0]=4 42576 B12R0.5 COCCCCCNCCCCO 2230a_100000747528_100000210776 [0,3,0,0,0,0|1,0,0]=4 42577 B12R0.5 COCCCCCNCCCCO 34a_100000747528_100011216708 [0,3,0,0,0,0|1,0,0]=4 42578 B12R0.5 COCCCCCNCCCOC 2230a_100000747528_100000740836 [0,3,0,0,0,0|1,0,0]=4 42579 B12R0.5 COCCCCCNCCCOC 34a_100000747528_100000740836 [0,3,0,0,0,0|1,0,0]=4 42580 B12R0.5 COCCCCNCCCCCO 2230a_100000762737_100000730899 [0,3,0,0,0,0|1,0,0]=4 42581 B12R0.5 COCCCCNCCCCCO 34a_100000762737_100000755781 [0,3,0,0,0,0|1,0,0]=4 42582 B12R0.5 COCCCCNCCOCCO 2230a_100000211614_100000730899 [0,3,0,0,0,0|1,0,0]=4 42583 B12R0.5 COCCCCNCCOCCO 34a_100000211614_100000755781 [0,3,0,0,0,0|1,0,0]=4 42584 B12R0.5 COCCCCNCCSCCO 2230a_100011219999_100000730899 [0,3,0,0,0,0|1,0,0]=4 42585 B12R0.5 COCCCCOCCCCCBr 34a_100000746331_100000755781 [0,3,0,0,0,0|0,0,0]=3 42586 B12R0.5 COCCCCOCCCCCBr 7a_100000746331_100000730899 [0,3,0,0,0,0|0,0,0]=3 42587 B12R0.5 COCCCCOCCCCCCl 34a_100000746330_100000755781 [0,3,0,0,0,0|0,0,0]=3 42588 B12R0.5 COCCCCOCCCCCCl 7a_100000746330_100000730899 [0,3,0,0,0,0|0,0,0]=3 42589 B12R0.5 COCCCCOCCCCCF 34a_100000740925_100000729378 [0,3,0,0,0,0|0,0,0]=3 42590 B12R0.5 COCCCCOCCCCCI 34a_200012148887_100000755781 [0,3,0,0,0,0|0,0,0]=3 42591 B12R0.5 COCCCCOCCCCCI 7a_200012148887_100000730899 [0,3,0,0,0,0|0,0,0]=3 42592 B12R0.5 COCCCCOCCCCCN 34a_100000762737_100000755781 [0,3,0,0,0,0|0,0,0]=3 42593 B12R0.5 COCCCCOCCCCCO 34a_100000740925_100000746330 [0,3,0,0,0,0|0,0,0]=3 42594 B12R0.5 COCCCCOCCCCOC 34a_100000740925_100000755781 [0,3,0,0,0,0|0,0,0]=3 42595 B12R0.5 COCCCCOCCCCSC 34a_100011217163_100000755781 [0,3,0,0,0,0|0,0,0]=3 42596 B12R0.5 COCCCCOCCCCSC 7a_100011217163_100000730899 [0,3,0,0,0,0|0,0,0]=3 42597 B12R0.5 COCCCCOCCOCCBr 34a_100000692535_100000755781 [0,3,0,0,0,0|0,0,0]=3 42598 B12R0.5 COCCCCOCCOCCBr 7a_100000692535_100000730899 [0,3,0,0,0,0|0,0,0]=3 42599 B12R0.5 COCCCCOCCOCCCl 34a_100011215305_100000755781 [0,3,0,0,0,0|0,0,0]=3 42600 B12R0.5 COCCCCOCCOCCCl 7a_100011215305_100000730899 [0,3,0,0,0,0|0,0,0]=3 42601 B12R0.5 COCCCCOCCOCCF 34a_200015357709_100000755781 [0,3,0,0,0,0|0,0,0]=3 42602 B12R0.5 COCCCCOCCOCCF 7a_200015357709_100000730899 [0,3,0,0,0,0|0,0,0]=3 42603 B12R0.5 COCCCCOCCOCCI 34a_100012149058_100000755781 [0,3,0,0,0,0|0,0,0]=3 42604 B12R0.5 COCCCCOCCOCCI 7a_100012149058_100000730899 [0,3,0,0,0,0|0,0,0]=3 42605 B12R0.5 COCCCCOCCOCCN 34a_100000211614_100000755781 [0,3,0,0,0,0|0,0,0]=3 42606 B12R0.5 COCCCCOCCOCCO 34a_100000740925_100000692535 [0,3,0,0,0,0|0,0,0]=3 42607 B12R0.5 COCCCCSCCCCC#N 62a_100000730899_100000211819 [0,3,0,0,0,0|0,1,0]=4 42608 B12R0.5 COCCCCSCCCCC#N 62a_100011219923_100000730899 [0,3,0,0,0,0|0,1,0]=4 42609 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [0,3,0,0,0,0|0,1,0]=4 42610 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [0,3,0,0,0,0|0,1,0]=4 42611 B12R0.5 COCCCCSCCCCCF 62a_100000729378_100000730899 [0,3,0,0,0,0|0,1,0]=4 42612 B12R0.5 COCCCCSCCCCCF 62a_100000730899_100000729378 [0,3,0,0,0,0|0,1,0]=4 42613 B12R0.5 COCCCCSCCCCCO 62a_100000730899_100000746330 [0,3,0,0,0,0|0,1,0]=4 42614 B12R0.5 COCCCCSCCCCCO 62a_100000746330_100000730899 [0,3,0,0,0,0|0,1,0]=4 42615 B12R0.5 COCCCCSCCCCOC 62a_100000730899_100000730899 [0,3,0,0,0,0|0,1,0]=4 42616 B12R0.5 COCCCCSCCOCCO 62a_100000730899_100011215305 [0,3,0,0,0,0|0,1,0]=4 42617 B12R0.5 COCCCCSCCOCCO 62a_100011215305_100000730899 [0,3,0,0,0,0|0,1,0]=4 42618 B12R0.5 COCCCCSCOCCOC 62a_100000231047_100000730899 [0,3,0,0,0,0|0,1,0]=4 42619 B12R0.5 COCCCCSCOCCOC 62a_100000730899_100000231047 [0,3,0,0,0,0|0,1,0]=4 42620 B12R0.5 COCCCNCCCCCCF 34a_100150723488_100015922095 [0,3,0,0,0,0|1,0,0]=4 42621 B12R0.5 COCCCNCCCCCCO 2230a_100000686447_100000740836 [0,3,0,0,0,0|1,0,0]=4 42622 B12R0.5 COCCCNCCCCCCO 34a_100000686447_100000740836 [0,3,0,0,0,0|1,0,0]=4 42623 B12R0.5 COCCCNCCCCCCO 34a_100150723488_100000766143 [0,3,0,0,0,0|1,0,0]=4 42624 B12R0.5 COCCCNCCOCCOC 2230a_100000745349_100000740836 [0,3,0,0,0,0|1,0,0]=4 42625 B12R0.5 COCCCNCCOCCOC 34a_100000745349_100000740836 [0,3,0,0,0,0|1,0,0]=4 42626 B12R0.5 COCCCNCCOCCOC 34a_100150723488_100000695917 [0,3,0,0,0,0|1,0,0]=4 42627 B12R0.5 COCCCOCCCCCCBr 34a_100011215345_100000740836 [0,3,0,0,0,0|0,0,0]=3 42628 B12R0.5 COCCCOCCCCCCBr 7a_100011215345_100000740836 [0,3,0,0,0,0|0,0,0]=3 42629 B12R0.5 COCCCOCCCCCCCl 34a_100000766143_100000740836 [0,3,0,0,0,0|0,0,0]=3 42630 B12R0.5 COCCCOCCCCCCCl 7a_100000766143_100000740836 [0,3,0,0,0,0|0,0,0]=3 42631 B12R0.5 COCCCOCCCCCCF 34a_100000732779_100000740836 [0,3,0,0,0,0|0,0,0]=3 42632 B12R0.5 COCCCOCCCCCCF 34a_100000740835_100015922095 [0,3,0,0,0,0|0,0,0]=3 42633 B12R0.5 COCCCOCCCCCCF 7a_100000732779_100000740836 [0,3,0,0,0,0|0,0,0]=3 42634 B12R0.5 COCCCOCCCCCCN 34a_100000686447_100000740836 [0,3,0,0,0,0|0,0,0]=3 42635 B12R0.5 COCCCOCCCCCCO 34a_100000740835_100000766143 [0,3,0,0,0,0|0,0,0]=3 42636 B12R0.5 COCCCOCCCOCC#N 7a_200011215475_100011215382 [0,3,0,0,0,0|0,0,1]=4 42637 B12R0.5 COCCCOCCCOCC=O 34a_200011215475_200009817547 [0,3,0,0,0,0|0,0,1]=4 42638 B12R0.5 COCCCOCCCOCC=O 7a_200011215475_200015260668 [0,3,0,0,0,0|0,0,1]=4 42639 B12R0.5 COCCCOCCCOCCF 34a_200011215475_100011217306 [0,3,0,0,0,0|0,0,0]=3 42640 B12R0.5 COCCCOCCCOCCF 7a_200011215475_100011217306 [0,3,0,0,0,0|0,0,0]=3 42641 B12R0.5 COCCCOCCCOCCO 34a_200011215475_100000211926 [0,3,0,0,0,0|0,0,0]=3 42642 B12R0.5 COCCCOCCCOCCO 7a_200011215475_100000211926 [0,3,0,0,0,0|0,0,0]=3 42643 B12R0.5 COCCCOCCCOCSC 34a_200011215475_100011218213 [0,3,0,0,0,0|0,0,0]=3 42644 B12R0.5 COCCCOCCOCCOC 34a_100000740835_100000695917 [0,3,0,0,0,0|0,0,0]=3 42645 B12R0.5 COCCCOCCOCCOC 34a_100011215163_100000740836 [0,3,0,0,0,0|0,0,0]=3 42646 B12R0.5 COCCCOCCOCCOC 7a_100011215163_100000740836 [0,3,0,0,0,0|0,0,0]=3 42647 B12R0.5 COCCCSCCCCCC#N 62a_100000709357_100009813376 [0,3,0,0,0,0|0,1,0]=4 42648 B12R0.5 COCCCSCCCCCC#N 62a_100009813376_100000709357 [0,3,0,0,0,0|0,1,0]=4 42649 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [0,3,0,0,0,0|0,1,0]=4 42650 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [0,3,0,0,0,0|0,1,0]=4 42651 B12R0.5 COCCCSCCCCCCF 62a_100000709357_100015922095 [0,3,0,0,0,0|0,1,0]=4 42652 B12R0.5 COCCCSCCCCCCF 62a_100015922095_100000709357 [0,3,0,0,0,0|0,1,0]=4 42653 B12R0.5 COCCCSCCCCCCO 62a_100000709357_100000766143 [0,3,0,0,0,0|0,1,0]=4 42654 B12R0.5 COCCCSCCCCCCO 62a_100000766143_100000709357 [0,3,0,0,0,0|0,1,0]=4 42655 B12R0.5 COCCCSCCOCCOC 62a_100000695917_100000709357 [0,3,0,0,0,0|0,1,0]=4 42656 B12R0.5 COCCCSCCOCCOC 62a_100000709357_100000695917 [0,3,0,0,0,0|0,1,0]=4 42657 B12R0.5 COCCNCCCCCCCO 2230a_100000209980_100000760002 [0,3,0,0,0,0|1,0,0]=4 42658 B12R0.5 COCCNCCCCCCCO 2230a_100011996573_100011201679 [0,3,0,0,0,0|1,0,0]=4 42659 B12R0.5 COCCNCCCCCCCO 34a_100011996573_100011201679 [0,3,0,0,0,0|1,0,0]=4 42660 B12R0.5 COCCNCCCOCCCO 2230a_100011310245_100011201679 [0,3,0,0,0,0|1,0,0]=4 42661 B12R0.5 COCCNCCCOCCCO 34a_100011310245_100011201679 [0,3,0,0,0,0|1,0,0]=4 42662 B12R0.5 COCCNCCCOCCOC 2230a_100000206027_100011201679 [0,3,0,0,0,0|1,0,0]=4 42663 B12R0.5 COCCNCCCOCCOC 2230a_100000209980_100011216529 [0,3,0,0,0,0|1,0,0]=4 42664 B12R0.5 COCCNCCCOCCOC 34a_100000206027_100011201679 [0,3,0,0,0,0|1,0,0]=4 42665 B12R0.5 COCCOCCCCCCCBr 34a_100000760002_100011201679 [0,3,0,0,0,0|1,0,0]=4 42666 B12R0.5 COCCOCCCCCCCBr 7a_100000760002_100000233755 [0,3,0,0,0,0|1,0,0]=4 42667 B12R0.5 COCCOCCCCCCCN 34a_100011996573_100011201679 [0,3,0,0,0,0|1,0,0]=4 42668 B12R0.5 COCCOCCCCCCCO 34a_100000210237_100000760002 [0,3,0,0,0,0|1,0,0]=4 42669 B12R0.5 COCCOCCCNCCC#N 2230a_100000206027_100011215226 [0,3,0,0,0,0|1,0,0]=4 42670 B12R0.5 COCCOCCCNCCCF 2230a_100000206027_100011934791 [0,3,0,0,0,0|1,0,0]=4 42671 B12R0.5 COCCOCCCNCCCF 2230a_100015189416_100011216529 [0,3,0,0,0,0|1,0,0]=4 42672 B12R0.5 COCCOCCCNCCCF 34a_100000206027_100011934791 [0,3,0,0,0,0|1,0,0]=4 42673 B12R0.5 COCCOCCCNCCCF 34a_100015189416_100011216529 [0,3,0,0,0,0|1,0,0]=4 42674 B12R0.5 COCCOCCCNCCCO 2230a_100000206027_100000230001 [0,3,0,0,0,0|1,0,0]=4 42675 B12R0.5 COCCOCCCNCCCO 34a_100000206027_100000230001 [0,3,0,0,0,0|1,0,0]=4 42676 B12R0.5 COCCOCCCNCCSC 2230a_100000206027_100000751147 [0,3,0,0,0,0|1,0,0]=4 42677 B12R0.5 COCCOCCCNCCSC 2230a_100020590264_100011216529 [0,3,0,0,0,0|1,0,0]=4 42678 B12R0.5 COCCOCCCNCCSC 34a_100000206027_100000212216 [0,3,0,0,0,0|1,0,0]=4 42679 B12R0.5 COCCOCCCOCCCBr 34a_100011217188_100011216529 [0,3,0,0,0,0|1,0,0]=4 42680 B12R0.5 COCCOCCCOCCCCl 34a_100000230001_100011216529 [0,3,0,0,0,0|1,0,0]=4 42681 B12R0.5 COCCOCCCOCCCF 34a_100000759539_100011216529 [0,3,0,0,0,0|1,0,0]=4 42682 B12R0.5 COCCOCCCOCCCN 34a_100000182051_100011216529 [0,3,0,0,0,0|1,0,0]=4 42683 B12R0.5 COCCOCCCOCCCN 34a_100011310245_100011201679 [0,3,0,0,0,0|1,0,0]=4 42684 B12R0.5 COCCOCCCOCCOC 34a_100000210237_100011216529 [0,3,0,0,0,0|1,0,0]=4 42685 B12R0.5 COCCOCCCOCCON 34a_100000700252_100011216529 [0,3,0,0,0,0|1,0,0]=4 42686 B12R0.5 COCCOCCCOCCSC 34a_100000230434_100011216529 [0,3,0,0,0,0|1,0,0]=4 42687 B12R0.5 COCCOCCCOCCSC 7a_100000230434_100011216529 [0,3,0,0,0,0|1,0,0]=4 42688 B12R0.5 COCCOCCCSCCC#N 62a_100011215226_100011216529 [0,3,0,0,0,0|1,0,0]=4 42689 B12R0.5 COCCOCCCSCCC#N 62a_100011216529_100011215226 [0,3,0,0,0,0|1,0,0]=4 42690 B12R0.5 COCCOCCCSCCCF 62a_100011216529_100011934791 [0,3,0,0,0,0|1,0,0]=4 42691 B12R0.5 COCCOCCCSCCCF 62a_100011934791_100011216529 [0,3,0,0,0,0|1,0,0]=4 42692 B12R0.5 COCCOCCCSCCCO 62a_100011215043_100011216529 [0,3,0,0,0,0|1,0,0]=4 42693 B12R0.5 COCCOCCCSCCCO 62a_100011216529_100011215043 [0,3,0,0,0,0|1,0,0]=4 42694 B12R0.5 COCCOCCCSCCOC 62a_100000233755_100011216529 [0,3,0,0,0,0|1,0,0]=4 42695 B12R0.5 COCCOCCCSCCOC 62a_100011216529_100000233755 [0,3,0,0,0,0|1,0,0]=4 42696 B12R0.5 COCCOCCCSCCSC 62a_100000212216_100011216529 [0,3,0,0,0,0|1,0,0]=4 42697 B12R0.5 COCCOCCCSCCSC 62a_100011216529_100000751147 [0,3,0,0,0,0|1,0,0]=4 42698 B12R0.5 COCCOCCNCCCC#N 2230a_100000745349_100000687738 [0,3,0,0,0,0|1,0,0]=4 42699 B12R0.5 COCCOCCNCCCC=O 2230a_100000745349_200011292268 [0,3,0,0,0,0|1,0,0]=4 42700 B12R0.5 COCCOCCNCCCCF 2230a_100000745349_100000729493 [0,3,0,0,0,0|1,0,0]=4 42701 B12R0.5 COCCOCCNCCCCF 34a_100000745349_100000729493 [0,3,0,0,0,0|1,0,0]=4 42702 B12R0.5 COCCOCCNCCCCO 2230a_100000745349_100000210776 [0,3,0,0,0,0|1,0,0]=4 42703 B12R0.5 COCCOCCNCCCCO 2230a_100000750430_100000695917 [0,3,0,0,0,0|1,0,0]=4 42704 B12R0.5 COCCOCCNCCCCO 34a_100000745349_100011216708 [0,3,0,0,0,0|1,0,0]=4 42705 B12R0.5 COCCOCCNCCCCO 34a_100000750430_100000695917 [0,3,0,0,0,0|1,0,0]=4 42706 B12R0.5 COCCOCCNCCCSC 2230a_100000749238_100000695917 [0,3,0,0,0,0|1,0,0]=4 42707 B12R0.5 COCCOCCOCCCC#N 7a_100011215163_100000687738 [0,3,0,0,0,0|0,0,1]=4 42708 B12R0.5 COCCOCCOCCCC=O 7a_100011215163_200011292268 [0,3,0,0,0,0|0,0,1]=4 42709 B12R0.5 COCCOCCOCCCCBr 34a_100011216708_100000695917 [0,3,0,0,0,0|0,0,0]=3 42710 B12R0.5 COCCOCCOCCCCCl 34a_100000210776_100000695917 [0,3,0,0,0,0|0,0,0]=3 42711 B12R0.5 COCCOCCOCCCCCl 7a_100000210776_100000695917 [0,3,0,0,0,0|0,0,0]=3 42712 B12R0.5 COCCOCCOCCCCF 34a_100011215163_100000729493 [0,3,0,0,0,0|0,0,0]=3 42713 B12R0.5 COCCOCCOCCCCF 34a_100011995726_100000695917 [0,3,0,0,0,0|0,0,0]=3 42714 B12R0.5 COCCOCCOCCCCF 7a_100011215163_100000729493 [0,3,0,0,0,0|0,0,0]=3 42715 B12R0.5 COCCOCCOCCCCF 7a_100011995726_100000695917 [0,3,0,0,0,0|0,0,0]=3 42716 B12R0.5 COCCOCCOCCCCI 34a_200012148704_100000695917 [0,3,0,0,0,0|0,0,0]=3 42717 B12R0.5 COCCOCCOCCCCN 34a_100000750430_100000695917 [0,3,0,0,0,0|0,0,0]=3 42718 B12R0.5 COCCOCCOCCCCO 34a_100011215163_100011216708 [0,3,0,0,0,0|0,0,0]=3 42719 B12R0.5 COCCOCCOCCCCO 7a_100011215163_100000210776 [0,3,0,0,0,0|0,0,0]=3 42720 B12R0.5 COCCOCCOCCCSC 34a_100000690336_100000695917 [0,3,0,0,0,0|0,0,0]=3 42721 B12R0.5 COCCOCCOCCCSC 7a_100000690336_100000695917 [0,3,0,0,0,0|0,0,0]=3 42722 B12R0.5 COCCOCCOCCNCF 34a_100012028300_100015361967 [0,3,0,0,0,0|1,0,0]=4 42723 B12R0.5 COCCOCCOCCOCF 34a_100000688194_100015361967 [0,3,0,0,0,0|1,0,0]=4 42724 B12R0.5 COCCOCCOCCOCF 7a_100000688194_100015361967 [0,3,0,0,0,0|1,0,0]=4 42725 B12R0.5 COCCOCCOCCSCF 62a_100013367474_100015361967 [0,3,0,0,0,0|1,0,0]=4 42726 B12R0.5 COCCOCCOCCSCF 62a_100015361967_100013367474 [0,3,0,0,0,0|1,0,0]=4 42727 B12R0.5 COCCOCCSCCCC#N 62a_100000687738_100000695917 [0,3,0,0,0,0|1,0,0]=4 42728 B12R0.5 COCCOCCSCCCC#N 62a_100000695917_100000687738 [0,3,0,0,0,0|1,0,0]=4 42729 B12R0.5 COCCOCCSCCCC=O 62a_100000695917_200011292268 [0,3,0,0,0,0|1,0,0]=4 42730 B12R0.5 COCCOCCSCCCC=O 62a_200011292268_100000695917 [0,3,0,0,0,0|1,0,0]=4 42731 B12R0.5 COCCOCCSCCCCF 62a_100000695917_100000729493 [0,3,0,0,0,0|0,1,0]=4 42732 B12R0.5 COCCOCCSCCCCF 62a_100000729493_100000695917 [0,3,0,0,0,0|0,1,0]=4 42733 B12R0.5 COCCOCCSCCCCO 62a_100000210776_100000695917 [0,3,0,0,0,0|0,1,0]=4 42734 B12R0.5 COCCOCCSCCCCO 62a_100000695917_100000210776 [0,3,0,0,0,0|0,1,0]=4 42735 B12R0.5 COCCOCNCCCCCO 2230a_100000762737_100000231047 [0,3,0,0,0,0|1,0,0]=4 42736 B12R0.5 COCCOCNCCOCCO 2230a_100000211614_100000231047 [0,3,0,0,0,0|1,0,0]=4 42737 B12R0.5 COCCOCNCCSCCO 2230a_100011219999_100000231047 [0,3,0,0,0,0|1,0,0]=4 42738 B12R0.5 COCCOCSCCCCC#N 62a_100000231047_100000211819 [0,3,0,0,0,0|1,0,0]=4 42739 B12R0.5 COCCOCSCCCCC#N 62a_100011219923_100000231047 [0,3,0,0,0,0|1,0,0]=4 42740 B12R0.5 COCCOCSCCCCC=O 62a_100000139335_100000231047 [0,3,0,0,0,0|1,0,0]=4 42741 B12R0.5 COCCOCSCCCCC=O 62a_100000231047_100000139335 [0,3,0,0,0,0|1,0,0]=4 42742 B12R0.5 COCCOCSCCCCCF 62a_100000231047_100000729378 [0,3,0,0,0,0|0,1,0]=4 42743 B12R0.5 COCCOCSCCCCCF 62a_100000729378_100000231047 [0,3,0,0,0,0|0,1,0]=4 42744 B12R0.5 COCCOCSCCCCCO 62a_100000231047_100000746330 [0,3,0,0,0,0|0,1,0]=4 42745 B12R0.5 COCCOCSCCCCCO 62a_100000746330_100000231047 [0,3,0,0,0,0|0,1,0]=4 42746 B12R0.5 COCCOCSCCOCCO 62a_100000231047_100011215305 [0,3,0,0,0,0|1,0,0]=4 42747 B12R0.5 COCCOCSCCOCCO 62a_100011215305_100000231047 [0,3,0,0,0,0|1,0,0]=4 42748 B12R0.5 COCCOCSCOCCOC 62a_100000231047_100000231047 [0,3,0,0,0,0|1,0,0]=4 42749 B12R0.5 COCCSCCCCCCCO 62a_100000233755_100000760002 [0,3,0,0,0,0|1,0,0]=4 42750 B12R0.5 COCCSCCCCCCCO 62a_100000760002_100000233755 [0,3,0,0,0,0|1,0,0]=4 42751 B12R0.5 COCNCCCCCCCCO 2230a_102515433106_100000766300 [0,3,0,0,0,0|1,0,0]=4 42752 B12R0.5 COCNCCOCCOCCO 2230a_100011998139_100000766300 [0,3,0,0,0,0|1,0,0]=4 42753 B12R0.5 COCSCCCCCCCCO 62a_100000033203_100000766300 [0,3,0,0,0,0|1,0,0]=4 42754 B12R0.5 COCSCCCCCCCCO 62a_100000766300_100000033203 [0,3,0,0,0,0|1,0,0]=4 42755 B12R0.5 COCSCCOCCOCCO 62a_100000032323_100000766300 [0,3,0,0,0,0|1,0,0]=4 42756 B12R0.5 COCSCCOCCOCCO 62a_100000766300_100000032323 [0,3,0,0,0,0|1,0,0]=4 42757 B12R0.5 CSCCCCCCCCCCO 62a_100009813290_200000210301 [0,3,0,0,0,0|1,0,0]=4 42758 B12R0.5 CSCCCCCCCCCCO 62a_200000210301_200000033068 [0,3,0,0,0,0|1,0,0]=4 42759 B12R0.5 CSCCCCOCCCCC#N 7a_100011217163_100000211819 [0,3,0,0,0,0|0,0,0]=3 42760 B12R0.5 CSCCCCOCCCCC=O 7a_100011217163_100000139335 [0,3,0,0,0,0|0,0,0]=3 42761 B12R0.5 CSCCCCOCCCCCF 34a_100011217163_100000729378 [0,3,0,0,0,0|0,0,0]=3 42762 B12R0.5 CSCCCCOCCCCCF 7a_100011217163_100000729378 [0,3,0,0,0,0|0,0,0]=3 42763 B12R0.5 CSCCCCOCCCCCO 34a_100011217163_100000746330 [0,3,0,0,0,0|0,0,0]=3 42764 B12R0.5 CSCCCCOCCCCCO 7a_100011217163_100000746330 [0,3,0,0,0,0|0,0,0]=3 42765 B12R0.5 CSCCCCOCCOCC#N 7a_100011217163_200000047693 [0,3,0,0,0,0|0,0,1]=4 42766 B12R0.5 CSCCCCOCCOCCO 34a_100011217163_100000692535 [0,3,0,0,0,0|0,0,0]=3 42767 B12R0.5 CSCCCCOCCOCCO 7a_100011217163_100011215305 [0,3,0,0,0,0|0,0,0]=3 42768 B12R0.5 CSCCCNCCCCCC#N 2230a_100000749238_100009813376 [0,3,0,0,0,0|1,0,0]=4 42769 B12R0.5 CSCCCNCCCCCC=O 2230a_100000749238_100000139337 [0,3,0,0,0,0|1,0,0]=4 42770 B12R0.5 CSCCCNCCCCCCF 2230a_100000749238_100015922095 [0,3,0,0,0,0|1,0,0]=4 42771 B12R0.5 CSCCCNCCCCCCO 2230a_100000749238_100000766143 [0,3,0,0,0,0|1,0,0]=4 42772 B12R0.5 CSCCCOCCCCCC#N 7a_100000690336_100009813376 [0,3,0,0,0,0|0,0,0]=3 42773 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [0,3,0,0,0,0|0,0,0]=3 42774 B12R0.5 CSCCCOCCCCCCF 34a_100000690336_100015922095 [0,3,0,0,0,0|0,0,0]=3 42775 B12R0.5 CSCCCOCCCCCCF 7a_100000690336_100015922095 [0,3,0,0,0,0|0,0,0]=3 42776 B12R0.5 CSCCCOCCCCCCO 34a_100000690336_100000766143 [0,3,0,0,0,0|0,0,0]=3 42777 B12R0.5 CSCCCOCCCCCCO 7a_100000690336_100000766143 [0,3,0,0,0,0|0,0,0]=3 42778 B12R0.5 CSCCNCCCCCCCO 2230a_100011996573_100000751147 [0,3,0,0,0,0|1,0,0]=4 42779 B12R0.5 CSCCNCCCCCCCO 2230a_100020590264_100000760002 [0,3,0,0,0,0|1,0,0]=4 42780 B12R0.5 CSCCNCCCCCCCO 34a_100011996573_100000212216 [0,3,0,0,0,0|1,0,0]=4 42781 B12R0.5 CSCCNCCCOCCCO 2230a_100011310245_100000751147 [0,3,0,0,0,0|1,0,0]=4 42782 B12R0.5 CSCCNCCCOCCCO 34a_100011310245_100000212216 [0,3,0,0,0,0|1,0,0]=4 42783 B12R0.5 CSCCOCCCCCCC#N 7a_100000230434_100009813337 [0,3,0,0,0,0|1,0,0]=4 42784 B12R0.5 CSCCOCCCCCCCBr 34a_100000760002_100000212216 [0,3,0,0,0,0|1,0,0]=4 42785 B12R0.5 CSCCOCCCCCCCBr 7a_100000760002_100000212216 [0,3,0,0,0,0|1,0,0]=4 42786 B12R0.5 CSCCOCCCCCCCN 34a_100011996573_100000212216 [0,3,0,0,0,0|1,0,0]=4 42787 B12R0.5 CSCCOCCCCCCCO 34a_100000230434_100000760002 [0,3,0,0,0,0|1,0,0]=4 42788 B12R0.5 CSCCOCCCCCCCO 7a_100000230434_100000760002 [0,3,0,0,0,0|1,0,0]=4 42789 B12R0.5 CSCCOCCCOCCCN 34a_100011310245_100000212216 [0,3,0,0,0,0|1,0,0]=4 42790 B12R0.5 CSCCSCCCCCCCO 62a_100000212216_100000760002 [0,3,0,0,0,0|1,0,0]=4 42791 B12R0.5 CSCCSCCCCCCCO 62a_100000760002_100000751147 [0,3,0,0,0,0|1,0,0]=4 42792 B12R0.5 CSCNCCCCCCCCO 2230a_102515433106_100011218213 [0,3,0,0,0,0|1,0,0]=4 42793 B12R0.5 CSCNCCCCCCCCO 34a_102515433106_100011218213 [0,3,0,0,0,0|1,0,0]=4 42794 B12R0.5 CSCNCCOCCOCCO 2230a_100011998139_100011218213 [0,3,0,0,0,0|1,0,0]=4 42795 B12R0.5 CSCNCCOCCOCCO 34a_100011998139_100011218213 [0,3,0,0,0,0|1,0,0]=4 42796 B12R0.5 CSCOCCCCCCCCBr 34a_100009813846_100011218213 [0,3,0,0,0,0|1,0,0]=4 42797 B12R0.5 CSCOCCCCCCCCCl 34a_100000033203_100011218213 [0,3,0,0,0,0|1,0,0]=4 42798 B12R0.5 CSCOCCCCCCCCN 34a_102515433106_100011218213 [0,3,0,0,0,0|1,0,0]=4 42799 B12R0.5 CSCOCCOCCOCCBr 34a_100010132937_100011218213 [0,3,0,0,0,0|1,0,0]=4 42800 B12R0.5 CSCOCCOCCOCCCl 34a_100000032323_100011218213 [0,3,0,0,0,0|1,0,0]=4 42801 B12R0.5 CSCOCCOCCOCCN 34a_100011998139_100011218213 [0,3,0,0,0,0|1,0,0]=4 42802 B12R0.5 CSCSCCCCCCCCO 62a_100000033203_100011218213 [0,3,0,0,0,0|1,0,0]=4 42803 B12R0.5 CSCSCCCCCCCCO 62a_100011218213_100000033203 [0,3,0,0,0,0|1,0,0]=4 42804 B12R0.5 CSCSCCOCCOCCO 62a_100000032323_100011218213 [0,3,0,0,0,0|1,0,0]=4 42805 B12R0.5 CSCSCCOCCOCCO 62a_100011218213_100000032323 [0,3,0,0,0,0|1,0,0]=4 42806 B12R0.5 FCCCCCCOCCCCBr 34a_100011216708_100015922095 [0,3,0,0,0,0|0,0,0]=3 42807 B12R0.5 FCCCCCCOCCCCCl 34a_100000210776_100015922095 [0,3,0,0,0,0|0,0,0]=3 42808 B12R0.5 FCCCCCCOCCCCCl 7a_100000210776_100015922095 [0,3,0,0,0,0|0,0,0]=3 42809 B12R0.5 FCCCCCCOCCCCF 34a_100000732779_100000729493 [0,3,0,0,0,0|0,0,0]=3 42810 B12R0.5 FCCCCCCOCCCCF 34a_100011995726_100015922095 [0,3,0,0,0,0|0,0,0]=3 42811 B12R0.5 FCCCCCCOCCCCF 7a_100000732779_100000729493 [0,3,0,0,0,0|0,0,0]=3 42812 B12R0.5 FCCCCCCOCCCCF 7a_100011995726_100015922095 [0,3,0,0,0,0|0,0,0]=3 42813 B12R0.5 FCCCCCCOCCCCI 34a_200012148704_100015922095 [0,3,0,0,0,0|0,0,0]=3 42814 B12R0.5 FCCCCCCSCCCCF 62a_100000729493_100015922095 [0,3,0,0,0,0|0,1,0]=4 42815 B12R0.5 FCCCCCCSCCCCF 62a_100015922095_100000729493 [0,3,0,0,0,0|0,1,0]=4 42816 B12R0.5 FCCCCCOCCCCCBr 34a_100000746331_100000729378 [0,3,0,0,0,0|0,0,0]=3 42817 B12R0.5 FCCCCCOCCCCCBr 7a_100000746331_100000729378 [0,3,0,0,0,0|0,0,0]=3 42818 B12R0.5 FCCCCCOCCCCCCl 34a_100000746330_100000729378 [0,3,0,0,0,0|0,0,0]=3 42819 B12R0.5 FCCCCCOCCCCCCl 7a_100000746330_100000729378 [0,3,0,0,0,0|0,0,0]=3 42820 B12R0.5 FCCCCCOCCCCCI 34a_200012148887_100000729378 [0,3,0,0,0,0|0,0,0]=3 42821 B12R0.5 FCCCCCOCCCCCI 7a_200012148887_100000729378 [0,3,0,0,0,0|0,0,0]=3 42822 B12R0.5 FCCCCCOCCOCCBr 34a_100000692535_100000729378 [0,3,0,0,0,0|0,0,0]=3 42823 B12R0.5 FCCCCCOCCOCCBr 7a_100000692535_100000729378 [0,3,0,0,0,0|0,0,0]=3 42824 B12R0.5 FCCCCCOCCOCCCl 34a_100011215305_100000729378 [0,3,0,0,0,0|0,0,0]=3 42825 B12R0.5 FCCCCCOCCOCCCl 7a_100011215305_100000729378 [0,3,0,0,0,0|0,0,0]=3 42826 B12R0.5 FCCCCCOCCOCCF 34a_200015357709_100000729378 [0,3,0,0,0,0|0,0,0]=3 42827 B12R0.5 FCCCCCOCCOCCF 7a_200015357709_100000729378 [0,3,0,0,0,0|0,0,0]=3 42828 B12R0.5 FCCCCCOCCOCCI 34a_100012149058_100000729378 [0,3,0,0,0,0|0,0,0]=3 42829 B12R0.5 FCCCCCOCCOCCI 7a_100012149058_100000729378 [0,3,0,0,0,0|0,0,0]=3 42830 B12R0.5 FCCCCCSCCCCCF 62a_100000729378_100000729378 [0,3,0,0,0,0|0,1,0]=4 42831 B12R0.5 FCCCCOCCCCCCBr 34a_100011215345_100000729493 [0,3,0,0,0,0|0,0,0]=3 42832 B12R0.5 FCCCCOCCCCCCBr 7a_100011215345_100000729493 [0,3,0,0,0,0|0,0,0]=3 42833 B12R0.5 FCCCCOCCCCCCCl 34a_100000766143_100000729493 [0,3,0,0,0,0|0,0,0]=3 42834 B12R0.5 FCCCCOCCCCCCCl 7a_100000766143_100000729493 [0,3,0,0,0,0|0,0,0]=3 42835 B12R0.5 FCCCOCCCCCCCBr 34a_100000760002_100011934791 [0,3,0,0,0,0|1,0,0]=4 42836 B12R0.5 FCCCOCCCCCCCBr 7a_100000760002_100011934791 [0,3,0,0,0,0|1,0,0]=4 42837 B12R0.5 FCCOCCCCCCCCBr 34a_100009813846_100011217306 [0,3,0,0,0,0|1,0,0]=4 42838 B12R0.5 FCCOCCCCCCCCBr 7a_100009813846_100011217306 [0,3,0,0,0,0|1,0,0]=4 42839 B12R0.5 FCCOCCCCCCCCCl 34a_100000033203_100011217306 [0,3,0,0,0,0|1,0,0]=4 42840 B12R0.5 FCCOCCCCCCCCCl 7a_100000033203_100011217306 [0,3,0,0,0,0|1,0,0]=4 42841 B12R0.5 FCCOCCOCCOCCBr 34a_100010132937_100011217306 [0,3,0,0,0,0|1,0,0]=4 42842 B12R0.5 FCCOCCOCCOCCBr 7a_100010132937_100011217306 [0,3,0,0,0,0|1,0,0]=4 42843 B12R0.5 FCCOCCOCCOCCCl 34a_100000032323_100011217306 [0,3,0,0,0,0|1,0,0]=4 42844 B12R0.5 FCCOCCOCCOCCCl 7a_100000032323_100011217306 [0,3,0,0,0,0|1,0,0]=4 42845 B12R0.5 FCOCCCCCCCCCBr 34a_100009813782_100015361967 [0,3,0,0,0,0|1,0,0]=4 42846 B12R0.5 FCOCCCCCCCCCBr 7a_100009813782_100015361967 [0,3,0,0,0,0|1,0,0]=4 42847 B12R0.5 FCOCCCCCCCCCCl 34a_100009868337_100015361967 [0,3,0,0,0,0|1,0,0]=4 42848 B12R0.5 FCOCCCCCCCCCCl 7a_100009868337_100015361967 [0,3,0,0,0,0|1,0,0]=4 42849 B12R0.5 N#CCCCCCNCCCCO 2230a_100000750430_100009813376 [0,3,0,0,0,0|1,0,0]=4 42850 B12R0.5 N#CCCCCCOCCCCCl 7a_100000210776_100009813376 [0,3,0,0,0,0|0,0,0]=3 42851 B12R0.5 N#CCCCCCOCCCCF 7a_100011995726_100009813376 [0,3,0,0,0,0|0,0,0]=3 42852 B12R0.5 N#CCCCCCSCCCCF 62a_100000729493_100009813376 [0,3,0,0,0,0|0,1,0]=4 42853 B12R0.5 N#CCCCCCSCCCCF 62a_100009813376_100000729493 [0,3,0,0,0,0|0,1,0]=4 42854 B12R0.5 N#CCCCCCSCCCCO 62a_100000210776_100009813376 [0,3,0,0,0,0|0,1,0]=4 42855 B12R0.5 N#CCCCCCSCCCCO 62a_100009813376_100000210776 [0,3,0,0,0,0|0,1,0]=4 42856 B12R0.5 N#CCCCCNCCCCCO 2230a_100000762737_100000211819 [0,3,0,0,0,0|1,0,0]=4 42857 B12R0.5 N#CCCCCOCCCCCBr 7a_100000746331_100000211819 [0,3,0,0,0,0|0,0,0]=3 42858 B12R0.5 N#CCCCCOCCCCCCl 7a_100000746330_100000211819 [0,3,0,0,0,0|0,0,0]=3 42859 B12R0.5 N#CCCCCOCCCCCI 7a_200012148887_100000211819 [0,3,0,0,0,0|0,0,0]=3 42860 B12R0.5 N#CCCCCOCCOCCBr 7a_100000692535_100000211819 [0,3,0,0,0,0|0,0,1]=4 42861 B12R0.5 N#CCCCCOCCOCCCl 7a_100011215305_100000211819 [0,3,0,0,0,0|0,0,1]=4 42862 B12R0.5 N#CCCCCOCCOCCF 7a_200015357709_100000211819 [0,3,0,0,0,0|0,0,1]=4 42863 B12R0.5 N#CCCCCOCCOCCI 7a_100012149058_100000211819 [0,3,0,0,0,0|0,0,1]=4 42864 B12R0.5 N#CCCCCSCCCCCF 62a_100000729378_100000211819 [0,3,0,0,0,0|0,1,0]=4 42865 B12R0.5 N#CCCCCSCCCCCF 62a_100011219923_100000729378 [0,3,0,0,0,0|0,1,0]=4 42866 B12R0.5 N#CCCCCSCCCCCO 62a_100000746330_100000211819 [0,3,0,0,0,0|0,1,0]=4 42867 B12R0.5 N#CCCCCSCCCCCO 62a_100011219923_100000746330 [0,3,0,0,0,0|0,1,0]=4 42868 B12R0.5 N#CCCCOCCCCCCBr 7a_100011215345_100000687738 [0,3,0,0,0,0|0,0,1]=4 42869 B12R0.5 N#CCCCOCCCCCCCl 7a_100000766143_100000687738 [0,3,0,0,0,0|0,0,1]=4 42870 B12R0.5 N#CCCCOCCCCCCF 7a_100000732779_100000687738 [0,3,0,0,0,0|0,0,1]=4 42871 B12R0.5 N#CCCNCCCOCCCO 2230a_100011310245_100011215226 [0,3,0,0,0,0|1,0,0]=4 42872 B12R0.5 N#CCOCCOCCCCCBr 7a_100000746331_200000047693 [0,3,0,0,0,0|0,0,1]=4 42873 B12R0.5 N#CCOCCOCCCCCCl 7a_100000746330_200000047693 [0,3,0,0,0,0|0,0,1]=4 42874 B12R0.5 N#CCOCCOCCCCCI 7a_200012148887_200000047693 [0,3,0,0,0,0|0,0,1]=4 42875 B12R0.5 NCCCCCCCCCOCF 34a_100000078944_100015361967 [0,3,0,0,0,0|1,0,0]=4 42876 B12R0.5 NCCCCCCCCOCCF 34a_102515433106_100011217306 [0,3,0,0,0,0|1,0,0]=4 42877 B12R0.5 NCCCCCCCCOCCO 34a_102515433106_100000211926 [0,3,0,0,0,0|1,0,0]=4 42878 B12R0.5 NCCCCCCCOCCCF 34a_100011996573_100011934791 [0,3,0,0,0,0|1,0,0]=4 42879 B12R0.5 NCCCCCCCOCCCO 34a_100011996573_100000230001 [0,3,0,0,0,0|1,0,0]=4 42880 B12R0.5 NCCCCCCOCCCCF 34a_100000686447_100000729493 [0,3,0,0,0,0|0,0,0]=3 42881 B12R0.5 NCCCCCCOCCCCO 34a_100000686447_100011216708 [0,3,0,0,0,0|0,0,0]=3 42882 B12R0.5 NCCCCCOCCCCCF 34a_100000762737_100000729378 [0,3,0,0,0,0|0,0,0]=3 42883 B12R0.5 NCCCCCOCCCCCO 34a_100000762737_100000746330 [0,3,0,0,0,0|0,0,0]=3 42884 B12R0.5 NCCCCCOCCOCCO 34a_100000762737_100000692535 [0,3,0,0,0,0|0,0,0]=3 42885 B12R0.5 NCCCCOCCCCCCF 34a_100000750430_100015922095 [0,3,0,0,0,0|0,0,0]=3 42886 B12R0.5 NCCCCOCCCCCCO 34a_100000750430_100000766143 [0,3,0,0,0,0|0,0,0]=3 42887 B12R0.5 NCCCOCCCCCCCO 34a_100000182051_100000760002 [0,3,0,0,0,0|1,0,0]=4 42888 B12R0.5 NCCCOCCCOCCCF 34a_100011310245_100011934791 [0,3,0,0,0,0|1,0,0]=4 42889 B12R0.5 NCCCOCCCOCCCO 34a_100011310245_100000230001 [0,3,0,0,0,0|1,0,0]=4 42890 B12R0.5 NCCCOCCOCCOCF 34a_100011996194_100015361967 [0,3,0,0,0,0|1,0,0]=4 42891 B12R0.5 NCCOCCCCCCCCO 34a_100000210304_100000033203 [0,3,0,0,0,0|1,0,0]=4 42892 B12R0.5 NCCOCCOCCCCCF 34a_100000211614_100000729378 [0,3,0,0,0,0|0,0,0]=3 42893 B12R0.5 NCCOCCOCCCCCO 34a_100000211614_100000746330 [0,3,0,0,0,0|0,0,0]=3 42894 B12R0.5 NCCOCCOCCOCCF 34a_100011998139_100011217306 [0,3,0,0,0,0|1,0,0]=4 42895 B12R0.5 NCCOCCOCCOCCO 34a_100000210304_100000032323 [0,3,0,0,0,0|1,0,0]=4 42896 B12R0.5 NCCOCCOCCOCCO 34a_100000211614_100000692535 [0,3,0,0,0,0|1,0,0]=4 42897 B12R0.5 NCCOCCOCCOCCO 34a_100011998139_100000211926 [0,3,0,0,0,0|1,0,0]=4 42898 B12R0.5 O=CCCCCCNCCCCO 2230a_100000750430_100000139337 [0,3,0,0,0,0|1,0,0]=4 42899 B12R0.5 O=CCCCCCOCCCCCl 7a_100000210776_100000139337 [0,3,0,0,0,0|0,0,0]=3 42900 B12R0.5 O=CCCCCCOCCCCF 7a_100011995726_100000139337 [0,3,0,0,0,0|0,0,0]=3 42901 B12R0.5 O=CCCCCCSCCCCF 62a_100000139337_100000729493 [0,3,0,0,0,0|0,1,0]=4 42902 B12R0.5 O=CCCCCCSCCCCF 62a_100000729493_100000139337 [0,3,0,0,0,0|0,1,0]=4 42903 B12R0.5 O=CCCCCCSCCCCO 62a_100000139337_100000210776 [0,3,0,0,0,0|0,1,0]=4 42904 B12R0.5 O=CCCCCCSCCCCO 62a_100000210776_100000139337 [0,3,0,0,0,0|0,1,0]=4 42905 B12R0.5 O=CCCCCNCCCCCO 2230a_100000762737_100000139335 [0,3,0,0,0,0|1,0,0]=4 42906 B12R0.5 O=CCCCCOCCCCCBr 7a_100000746331_100000139335 [0,3,0,0,0,0|0,0,0]=3 42907 B12R0.5 O=CCCCCOCCCCCCl 7a_100000746330_100000139335 [0,3,0,0,0,0|0,0,0]=3 42908 B12R0.5 O=CCCCCOCCCCCI 7a_200012148887_100000139335 [0,3,0,0,0,0|0,0,0]=3 42909 B12R0.5 O=CCCCCOCCOCCBr 7a_100000692535_100000139335 [0,3,0,0,0,0|0,0,1]=4 42910 B12R0.5 O=CCCCCOCCOCCCl 7a_100011215305_100000139335 [0,3,0,0,0,0|0,0,1]=4 42911 B12R0.5 O=CCCCCOCCOCCF 7a_200015357709_100000139335 [0,3,0,0,0,0|0,0,1]=4 42912 B12R0.5 O=CCCCCOCCOCCI 7a_100012149058_100000139335 [0,3,0,0,0,0|0,0,1]=4 42913 B12R0.5 O=CCCCCSCCCCCF 62a_100000139335_100000729378 [0,3,0,0,0,0|0,1,0]=4 42914 B12R0.5 O=CCCCCSCCCCCF 62a_100000729378_100000139335 [0,3,0,0,0,0|0,1,0]=4 42915 B12R0.5 O=CCCCCSCCCCCO 62a_100000139335_100000746330 [0,3,0,0,0,0|0,1,0]=4 42916 B12R0.5 O=CCCCCSCCCCCO 62a_100000746330_100000139335 [0,3,0,0,0,0|0,1,0]=4 42917 B12R0.5 O=CCCCOCCCCCCBr 7a_100011215345_200011292268 [0,3,0,0,0,0|0,0,1]=4 42918 B12R0.5 O=CCCCOCCCCCCCl 7a_100000766143_200011292268 [0,3,0,0,0,0|0,0,1]=4 42919 B12R0.5 O=CCCCOCCCCCCF 7a_100000732779_200011292268 [0,3,0,0,0,0|0,0,1]=4 42920 B12R0.5 OCCCCCCCCCNCF 34a_100000078944_100015361967 [0,3,0,0,0,0|1,0,0]=4 42921 B12R0.5 OCCCCCCCCCSCF 62a_100009813782_100015361967 [0,3,0,0,0,0|1,0,0]=4 42922 B12R0.5 OCCCCCCCCCSCF 62a_100015361967_100009813782 [0,3,0,0,0,0|1,0,0]=4 42923 B12R0.5 OCCCCCCCCNCCF 2230a_102515433106_100011217306 [0,3,0,0,0,0|1,0,0]=4 42924 B12R0.5 OCCCCCCCCNCCF 34a_100000724931_100000033203 [0,3,0,0,0,0|1,0,0]=4 42925 B12R0.5 OCCCCCCCCNCCF 34a_102515433106_100011217306 [0,3,0,0,0,0|1,0,0]=4 42926 B12R0.5 OCCCCCCCCNCCO 2230a_100016997473_100000033203 [0,3,0,0,0,0|1,0,0]=4 42927 B12R0.5 OCCCCCCCCNCCO 2230a_102515433106_100000211926 [0,3,0,0,0,0|1,0,0]=4 42928 B12R0.5 OCCCCCCCCNCCO 34a_100016990907_100000033203 [0,3,0,0,0,0|1,0,0]=4 42929 B12R0.5 OCCCCCCCCNCCO 34a_102515433106_100000211926 [0,3,0,0,0,0|1,0,0]=4 42930 B12R0.5 OCCCCCCCCOCCBr 34a_100000211926_100000033203 [0,3,0,0,0,0|1,0,0]=4 42931 B12R0.5 OCCCCCCCCSCCF 62a_100000033203_100011217306 [0,3,0,0,0,0|1,0,0]=4 42932 B12R0.5 OCCCCCCCCSCCF 62a_100011217306_100000033203 [0,3,0,0,0,0|1,0,0]=4 42933 B12R0.5 OCCCCCCCCSCCO 62a_100000033203_100000211926 [0,3,0,0,0,0|1,0,0]=4 42934 B12R0.5 OCCCCCCCCSCCO 62a_100000211926_100000033203 [0,3,0,0,0,0|1,0,0]=4 42935 B12R0.5 OCCCCCCCNCCCF 2230a_100011996573_100011934791 [0,3,0,0,0,0|1,0,0]=4 42936 B12R0.5 OCCCCCCCNCCCF 2230a_100015189416_100000760002 [0,3,0,0,0,0|1,0,0]=4 42937 B12R0.5 OCCCCCCCNCCCF 34a_100011996573_100011934791 [0,3,0,0,0,0|1,0,0]=4 42938 B12R0.5 OCCCCCCCNCCCF 34a_100015189416_100000760002 [0,3,0,0,0,0|1,0,0]=4 42939 B12R0.5 OCCCCCCCNCCCO 2230a_100011996573_100000230001 [0,3,0,0,0,0|1,0,0]=4 42940 B12R0.5 OCCCCCCCNCCCO 34a_100011996573_100000230001 [0,3,0,0,0,0|1,0,0]=4 42941 B12R0.5 OCCCCCCCOCCCBr 34a_100011217188_100000760002 [0,3,0,0,0,0|1,0,0]=4 42942 B12R0.5 OCCCCCCCOCCCCl 34a_100000230001_100000760002 [0,3,0,0,0,0|1,0,0]=4 42943 B12R0.5 OCCCCCCCOCCCF 34a_100000759539_100000760002 [0,3,0,0,0,0|1,0,0]=4 42944 B12R0.5 OCCCCCCCSCCCF 62a_100000760002_100011934791 [0,3,0,0,0,0|1,0,0]=4 42945 B12R0.5 OCCCCCCCSCCCF 62a_100011934791_100000760002 [0,3,0,0,0,0|1,0,0]=4 42946 B12R0.5 OCCCCCCCSCCCO 62a_100000760002_100011215043 [0,3,0,0,0,0|1,0,0]=4 42947 B12R0.5 OCCCCCCCSCCCO 62a_100011215043_100000760002 [0,3,0,0,0,0|1,0,0]=4 42948 B12R0.5 OCCCCCCNCCCCF 2230a_100000686447_100000729493 [0,3,0,0,0,0|1,0,0]=4 42949 B12R0.5 OCCCCCCNCCCCF 34a_100000686447_100000729493 [0,3,0,0,0,0|1,0,0]=4 42950 B12R0.5 OCCCCCCNCCCCO 2230a_100000686447_100000210776 [0,3,0,0,0,0|1,0,0]=4 42951 B12R0.5 OCCCCCCNCCCCO 2230a_100000750430_100000766143 [0,3,0,0,0,0|1,0,0]=4 42952 B12R0.5 OCCCCCCNCCCCO 34a_100000686447_100011216708 [0,3,0,0,0,0|1,0,0]=4 42953 B12R0.5 OCCCCCCNCCCCO 34a_100000750430_100000766143 [0,3,0,0,0,0|1,0,0]=4 42954 B12R0.5 OCCCCCCOCCCCBr 34a_100011216708_100000766143 [0,3,0,0,0,0|0,0,0]=3 42955 B12R0.5 OCCCCCCOCCCCCl 34a_100000210776_100000766143 [0,3,0,0,0,0|0,0,0]=3 42956 B12R0.5 OCCCCCCOCCCCCl 7a_100000210776_100000766143 [0,3,0,0,0,0|0,0,0]=3 42957 B12R0.5 OCCCCCCOCCCCF 34a_100011995726_100000766143 [0,3,0,0,0,0|0,0,0]=3 42958 B12R0.5 OCCCCCCOCCCCF 7a_100011995726_100000766143 [0,3,0,0,0,0|0,0,0]=3 42959 B12R0.5 OCCCCCCOCCCCI 34a_200012148704_100000766143 [0,3,0,0,0,0|0,0,0]=3 42960 B12R0.5 OCCCCCCSCCCCF 62a_100000729493_100000766143 [0,3,0,0,0,0|0,1,0]=4 42961 B12R0.5 OCCCCCCSCCCCF 62a_100000766143_100000729493 [0,3,0,0,0,0|0,1,0]=4 42962 B12R0.5 OCCCCCCSCCCCO 62a_100000210776_100000766143 [0,3,0,0,0,0|0,1,0]=4 42963 B12R0.5 OCCCCCCSCCCCO 62a_100000766143_100000210776 [0,3,0,0,0,0|0,1,0]=4 42964 B12R0.5 OCCCCCNCCCCCF 2230a_100000762737_100000729378 [0,3,0,0,0,0|1,0,0]=4 42965 B12R0.5 OCCCCCNCCCCCF 34a_100000762737_100000729378 [0,3,0,0,0,0|1,0,0]=4 42966 B12R0.5 OCCCCCNCCCCCO 2230a_100000762737_100000746330 [0,3,0,0,0,0|1,0,0]=4 42967 B12R0.5 OCCCCCNCCCCCO 34a_100000762737_100000746330 [0,3,0,0,0,0|1,0,0]=4 42968 B12R0.5 OCCCCCNCCOCCO 2230a_100000211614_100000746330 [0,3,0,0,0,0|1,0,0]=4 42969 B12R0.5 OCCCCCNCCOCCO 2230a_100000762737_100011215305 [0,3,0,0,0,0|1,0,0]=4 42970 B12R0.5 OCCCCCNCCOCCO 34a_100000211614_100000746330 [0,3,0,0,0,0|1,0,0]=4 42971 B12R0.5 OCCCCCNCCOCCO 34a_100000762737_100000692535 [0,3,0,0,0,0|1,0,0]=4 42972 B12R0.5 OCCCCCNCCSCCO 2230a_100011219999_100000746330 [0,3,0,0,0,0|1,0,0]=4 42973 B12R0.5 OCCCCCOCCCCCBr 34a_100000746331_100000746330 [0,3,0,0,0,0|0,0,0]=3 42974 B12R0.5 OCCCCCOCCCCCBr 7a_100000746331_100000746330 [0,3,0,0,0,0|0,0,0]=3 42975 B12R0.5 OCCCCCOCCCCCCl 34a_100000746330_100000746330 [0,3,0,0,0,0|0,0,0]=3 42976 B12R0.5 OCCCCCOCCCCCCl 7a_100000746330_100000746330 [0,3,0,0,0,0|0,0,0]=3 42977 B12R0.5 OCCCCCOCCCCCI 34a_200012148887_100000746330 [0,3,0,0,0,0|0,0,0]=3 42978 B12R0.5 OCCCCCOCCCCCI 7a_200012148887_100000746330 [0,3,0,0,0,0|0,0,0]=3 42979 B12R0.5 OCCCCCOCCOCCBr 34a_100000692535_100000746330 [0,3,0,0,0,0|0,0,0]=3 42980 B12R0.5 OCCCCCOCCOCCBr 7a_100000692535_100000746330 [0,3,0,0,0,0|0,0,0]=3 42981 B12R0.5 OCCCCCOCCOCCCl 34a_100011215305_100000746330 [0,3,0,0,0,0|0,0,0]=3 42982 B12R0.5 OCCCCCOCCOCCCl 7a_100011215305_100000746330 [0,3,0,0,0,0|0,0,0]=3 42983 B12R0.5 OCCCCCOCCOCCF 34a_200015357709_100000746330 [0,3,0,0,0,0|0,0,0]=3 42984 B12R0.5 OCCCCCOCCOCCF 7a_200015357709_100000746330 [0,3,0,0,0,0|0,0,0]=3 42985 B12R0.5 OCCCCCOCCOCCI 34a_100012149058_100000746330 [0,3,0,0,0,0|0,0,0]=3 42986 B12R0.5 OCCCCCOCCOCCI 7a_100012149058_100000746330 [0,3,0,0,0,0|0,0,0]=3 42987 B12R0.5 OCCCCCSCCCCCF 62a_100000729378_100000746330 [0,3,0,0,0,0|0,1,0]=4 42988 B12R0.5 OCCCCCSCCCCCF 62a_100000746330_100000729378 [0,3,0,0,0,0|0,1,0]=4 42989 B12R0.5 OCCCCCSCCCCCO 62a_100000746330_100000746330 [0,3,0,0,0,0|0,1,0]=4 42990 B12R0.5 OCCCCCSCCOCCO 62a_100000746330_100011215305 [0,3,0,0,0,0|0,1,0]=4 42991 B12R0.5 OCCCCCSCCOCCO 62a_100011215305_100000746330 [0,3,0,0,0,0|0,1,0]=4 42992 B12R0.5 OCCCCNCCCCCCF 2230a_100000750430_100015922095 [0,3,0,0,0,0|1,0,0]=4 42993 B12R0.5 OCCCCNCCCCCCF 34a_100000750430_100015922095 [0,3,0,0,0,0|1,0,0]=4 42994 B12R0.5 OCCCCOCCCCCCBr 34a_100011215345_100011216708 [0,3,0,0,0,0|0,0,0]=3 42995 B12R0.5 OCCCCOCCCCCCBr 7a_100011215345_100000210776 [0,3,0,0,0,0|0,0,0]=3 42996 B12R0.5 OCCCCOCCCCCCCl 34a_100000766143_100011216708 [0,3,0,0,0,0|0,0,0]=3 42997 B12R0.5 OCCCCOCCCCCCCl 7a_100000766143_100000210776 [0,3,0,0,0,0|0,0,0]=3 42998 B12R0.5 OCCCCOCCCCCCF 34a_100000732779_100011216708 [0,3,0,0,0,0|0,0,0]=3 42999 B12R0.5 OCCCCOCCCCCCF 7a_100000732779_100000210776 [0,3,0,0,0,0|0,0,0]=3 43000 B12R0.5 OCCCCSCCCCCCF 62a_100000210776_100015922095 [0,3,0,0,0,0|0,1,0]=4 43001 B12R0.5 OCCCCSCCCCCCF 62a_100015922095_100000210776 [0,3,0,0,0,0|0,1,0]=4 43002 B12R0.5 OCCCNCCCOCCCO 2230a_100011310245_100000230001 [0,3,0,0,0,0|1,0,0]=4 43003 B12R0.5 OCCCNCCCOCCCO 34a_100011310245_100000230001 [0,3,0,0,0,0|1,0,0]=4 43004 B12R0.5 OCCCOCCCCCCCBr 34a_100000760002_100000230001 [0,3,0,0,0,0|1,0,0]=4 43005 B12R0.5 OCCCOCCCCCCCBr 7a_100000760002_100011215043 [0,3,0,0,0,0|1,0,0]=4 43006 B12R0.5 OCCCOCCCNCCCF 2230a_100011310245_100011934791 [0,3,0,0,0,0|1,0,0]=4 43007 B12R0.5 OCCCOCCCNCCCF 34a_100011310245_100011934791 [0,3,0,0,0,0|1,0,0]=4 43008 B12R0.5 OCCNCCOCCOCCO 2230a_100011998139_100000211926 [0,3,0,0,0,0|1,0,0]=4 43009 B12R0.5 OCCNCCOCCOCCO 2230a_100016997473_100000032323 [0,3,0,0,0,0|1,0,0]=4 43010 B12R0.5 OCCNCCOCCOCCO 34a_100011998139_100000211926 [0,3,0,0,0,0|1,0,0]=4 43011 B12R0.5 OCCNCCOCCOCCO 34a_100016990907_100000032323 [0,3,0,0,0,0|1,0,0]=4 43012 B12R0.5 OCCOCCCCCCCCBr 34a_100009813846_100000211926 [0,3,0,0,0,0|1,0,0]=4 43013 B12R0.5 OCCOCCCCCCCCBr 7a_100009813846_100000211926 [0,3,0,0,0,0|1,0,0]=4 43014 B12R0.5 OCCOCCCCCCCCCl 34a_100000033203_100000211926 [0,3,0,0,0,0|1,0,0]=4 43015 B12R0.5 OCCOCCCCCCCCCl 7a_100000033203_100000211926 [0,3,0,0,0,0|1,0,0]=4 43016 B12R0.5 OCCOCCNCCCCCF 2230a_100000211614_100000729378 [0,3,0,0,0,0|1,0,0]=4 43017 B12R0.5 OCCOCCNCCCCCF 34a_100000211614_100000729378 [0,3,0,0,0,0|1,0,0]=4 43018 B12R0.5 OCCOCCOCCCCCBr 34a_100000746331_100000692535 [0,3,0,0,0,0|0,0,0]=3 43019 B12R0.5 OCCOCCOCCCCCBr 7a_100000746331_100011215305 [0,3,0,0,0,0|0,0,0]=3 43020 B12R0.5 OCCOCCOCCCCCCl 34a_100000746330_100000692535 [0,3,0,0,0,0|0,0,0]=3 43021 B12R0.5 OCCOCCOCCCCCCl 7a_100000746330_100011215305 [0,3,0,0,0,0|0,0,0]=3 43022 B12R0.5 OCCOCCOCCCCCI 34a_200012148887_100000692535 [0,3,0,0,0,0|0,0,0]=3 43023 B12R0.5 OCCOCCOCCCCCI 7a_200012148887_100011215305 [0,3,0,0,0,0|0,0,0]=3 43024 B12R0.5 OCCOCCOCCCNCF 34a_100011996194_100015361967 [0,3,0,0,0,0|1,0,0]=4 43025 B12R0.5 OCCOCCOCCNCCF 2230a_100011998139_100011217306 [0,3,0,0,0,0|1,0,0]=4 43026 B12R0.5 OCCOCCOCCNCCF 34a_100000724931_100000032323 [0,3,0,0,0,0|1,0,0]=4 43027 B12R0.5 OCCOCCOCCNCCF 34a_100011998139_100011217306 [0,3,0,0,0,0|1,0,0]=4 43028 B12R0.5 OCCOCCOCCOCCBr 34a_100000211926_100000032323 [0,3,0,0,0,0|1,0,0]=4 43029 B12R0.5 OCCOCCOCCOCCBr 34a_100000692535_100000692535 [0,3,0,0,0,0|1,0,0]=4 43030 B12R0.5 OCCOCCOCCOCCBr 34a_100010132937_100000211926 [0,3,0,0,0,0|1,0,0]=4 43031 B12R0.5 OCCOCCOCCOCCBr 7a_100000692535_100011215305 [0,3,0,0,0,0|1,0,0]=4 43032 B12R0.5 OCCOCCOCCOCCBr 7a_100010132937_100000211926 [0,3,0,0,0,0|1,0,0]=4 43033 B12R0.5 OCCOCCOCCOCCCl 34a_100000032323_100000211926 [0,3,0,0,0,0|1,0,0]=4 43034 B12R0.5 OCCOCCOCCOCCCl 34a_100011215305_100000692535 [0,3,0,0,0,0|1,0,0]=4 43035 B12R0.5 OCCOCCOCCOCCCl 7a_100000032323_100000211926 [0,3,0,0,0,0|1,0,0]=4 43036 B12R0.5 OCCOCCOCCOCCCl 7a_100011215305_100011215305 [0,3,0,0,0,0|1,0,0]=4 43037 B12R0.5 OCCOCCOCCOCCF 34a_200015357709_100000692535 [0,3,0,0,0,0|1,0,0]=4 43038 B12R0.5 OCCOCCOCCOCCF 7a_200015357709_100011215305 [0,3,0,0,0,0|1,0,0]=4 43039 B12R0.5 OCCOCCOCCOCCI 34a_100012149058_100000692535 [0,3,0,0,0,0|1,0,0]=4 43040 B12R0.5 OCCOCCOCCOCCI 7a_100012149058_100011215305 [0,3,0,0,0,0|1,0,0]=4 43041 B12R0.5 OCCOCCOCCSCCF 62a_100000032323_100011217306 [0,3,0,0,0,0|1,0,0]=4 43042 B12R0.5 OCCOCCOCCSCCF 62a_100011217306_100000032323 [0,3,0,0,0,0|1,0,0]=4 43043 B12R0.5 OCCOCCOCCSCCO 62a_100000032323_100000211926 [0,3,0,0,0,0|1,0,0]=4 43044 B12R0.5 OCCOCCOCCSCCO 62a_100000211926_100000032323 [0,3,0,0,0,0|1,0,0]=4 43045 B12R0.5 OCCOCCSCCCCCF 62a_100000729378_100011215305 [0,3,0,0,0,0|0,1,0]=4 43046 B12R0.5 OCCOCCSCCCCCF 62a_100011215305_100000729378 [0,3,0,0,0,0|0,1,0]=4 43047 B12R0.5 OCCSCCNCCCCCF 2230a_100011219999_100000729378 [0,3,0,0,0,0|1,0,0]=4 43048 B12R0.5 [13CH3]NCCCCCCCCCCO 2230a_100000066964_200025704644 [0,3,0,0,0,0|1,0,0]=4 43049 B12R0.5 [13CH3]NCCCCCCCCCCO 34a_100000066964_200025704644 [0,3,0,0,0,0|1,0,0]=4 43050 B12R0.5 [13CH3]OCCCCCCCCCCBr 34a_100009813290_200025704644 [0,3,0,0,0,0|1,0,0]=4 43051 B12R0.5 [13CH3]OCCCCCCCCCCBr 7a_100009813290_200025704644 [0,3,0,0,0,0|1,0,0]=4 43052 B12R0.5 [13CH3]OCCCCCCCCCCCl 34a_200000033068_200025704644 [0,3,0,0,0,0|1,0,0]=4 43053 B12R0.5 [13CH3]OCCCCCCCCCCCl 7a_200000033068_200025704644 [0,3,0,0,0,0|1,0,0]=4 43054 B12R0.5 [13CH3]OCCCCCCCCCCN 34a_100000066964_200025704644 [0,3,0,0,0,0|1,0,0]=4 43055 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_100009813290_200025704644 [0,3,0,0,0,0|1,0,0]=4 43056 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_200025704644_200000033068 [0,3,0,0,0,0|1,0,0]=4 43057 B12R0.117 C#CC(CCCCC)OCCCC 34a_100011216489_100000210210 [0,3,0,0,0,0|0,0,0]=3 43058 B12R0.117 C#CC(CCCCC)OCCCC 7a_100011216489_100000210211 [0,3,0,0,0,0|0,0,0]=3 43059 B12R0.117 C#CC(CCCCC)OCCCF 34a_100011216489_100011934791 [0,3,0,0,0,0|1,0,0]=4 43060 B12R0.117 C#CC(CCCCC)OCCCF 7a_100011216489_100011934791 [0,3,0,0,0,0|1,0,0]=4 43061 B12R0.117 C#CC(CCCCC)OCCCO 34a_100011216489_100000230001 [0,3,0,0,0,0|1,0,0]=4 43062 B12R0.117 C#CC(CCCCC)OCCCO 7a_100011216489_100011215043 [0,3,0,0,0,0|1,0,0]=4 43063 B12R0.117 C#CC(CCCCC)OCCOC 34a_100011216489_100011201679 [0,3,0,0,0,0|1,0,0]=4 43064 B12R0.117 C#CC(CCCCC)OCCOC 7a_100011216489_100000233755 [0,3,0,0,0,0|1,0,0]=4 43065 B12R0.117 C#CC(CCCCC)OCCSC 34a_100011216489_100000212216 [0,3,0,0,0,0|1,0,0]=4 43066 B12R0.117 C#CC(CCCCC)OCCSC 7a_100011216489_100000212216 [0,3,0,0,0,0|1,0,0]=4 43067 B12R0.117 C=CC(CCCCC)OCCCC 34a_100011216863_100000210210 [0,3,0,0,0,0|0,0,0]=3 43068 B12R0.117 C=CC(CCCCC)OCCCC 7a_100011216863_100000210211 [0,3,0,0,0,0|0,0,0]=3 43069 B12R0.117 C=CC(CCCCC)OCCCF 34a_100011216863_100011934791 [0,3,0,0,0,0|1,0,0]=4 43070 B12R0.117 C=CC(CCCCC)OCCCF 7a_100011216863_100011934791 [0,3,0,0,0,0|1,0,0]=4 43071 B12R0.117 C=CC(CCCCC)OCCCO 34a_100011216863_100000230001 [0,3,0,0,0,0|1,0,0]=4 43072 B12R0.117 C=CC(CCCCC)OCCCO 7a_100011216863_100011215043 [0,3,0,0,0,0|1,0,0]=4 43073 B12R0.117 C=CC(CCCCC)OCCOC 34a_100011216863_100011201679 [0,3,0,0,0,0|1,0,0]=4 43074 B12R0.117 C=CC(CCCCC)OCCOC 7a_100011216863_100000233755 [0,3,0,0,0,0|1,0,0]=4 43075 B12R0.117 C=CC(CCCCC)OCCSC 34a_100011216863_100000212216 [0,3,0,0,0,0|1,0,0]=4 43076 B12R0.117 C=CC(CCCCC)OCCSC 7a_100011216863_100000212216 [0,3,0,0,0,0|1,0,0]=4 43077 B12R0.117 CCCCCC(CC)NCCCC 270004a_100000102301_100011215316 [0,3,0,0,0,0|1,0,0]=4 43078 B12R0.117 CCCCCC(CC)OCCCC 34a_100011215405_100000210210 [0,3,0,0,0,0|0,0,0]=3 43079 B12R0.117 CCCCCC(CC)OCCCC 7a_100011215405_100000210211 [0,3,0,0,0,0|0,0,0]=3 43080 B12R0.117 CCCCCC(CC)OCCCF 34a_100011215405_100011934791 [0,3,0,0,0,0|1,0,0]=4 43081 B12R0.117 CCCCCC(CC)OCCCF 7a_100011215405_100011934791 [0,3,0,0,0,0|1,0,0]=4 43082 B12R0.117 CCCCCC(CC)OCCCO 34a_100011215405_100000230001 [0,3,0,0,0,0|1,0,0]=4 43083 B12R0.117 CCCCCC(CC)OCCCO 7a_100011215405_100011215043 [0,3,0,0,0,0|1,0,0]=4 43084 B12R0.117 CCCCCC(CC)OCCOC 34a_100011215405_100011201679 [0,3,0,0,0,0|1,0,0]=4 43085 B12R0.117 CCCCCC(CC)OCCOC 7a_100011215405_100000233755 [0,3,0,0,0,0|1,0,0]=4 43086 B12R0.117 CCCCCC(CC)OCCSC 34a_100011215405_100000212216 [0,3,0,0,0,0|1,0,0]=4 43087 B12R0.117 CCCCCC(CC)OCCSC 7a_100011215405_100000212216 [0,3,0,0,0,0|1,0,0]=4 43088 B12R0.117 CCCCCC(CCCCC)NC 2230a_100000698210_200000210301 [0,3,0,0,0,0|1,0,0]=4 43089 B12R0.117 CCCCCC(CCCCC)NC 270004a_106832991635_100000211668 [0,3,0,0,0,0|1,0,0]=4 43090 B12R0.117 CCCCCC(CCCCC)NC 34a_100000698210_200000210301 [0,3,0,0,0,0|1,0,0]=4 43091 B12R0.117 CCCCCC(CCCCC)N[13CH3] 2230a_100000698210_200025704644 [0,3,0,0,0,0|1,0,0]=4 43092 B12R0.117 CCCCCC(CCCCC)N[13CH3] 34a_100000698210_200025704644 [0,3,0,0,0,0|1,0,0]=4 43093 B12R0.117 CCCCCC(CCCCC)OC 34a_200011216036_200000210301 [0,3,0,0,0,0|1,0,0]=4 43094 B12R0.117 CCCCCC(CCCCC)OC 7a_200011216036_200000210301 [0,3,0,0,0,0|1,0,0]=4 43095 B12R0.117 CCCCCC(CCCCC)O[13CH3] 34a_200011216036_200025704644 [0,3,0,0,0,0|1,0,0]=4 43096 B12R0.117 CCCCCC(CCCCC)O[13CH3] 7a_200011216036_200025704644 [0,3,0,0,0,0|1,0,0]=4 43097 B12R0.117 CCCCCN(CC)CCCCC 2230a_100000210580_100000210202 [0,3,0,0,0,0|1,0,0]=4 43098 B12R0.117 CCCCCN(CC)CCCCC 269982a_100000210580_100000204670 [0,3,0,0,0,0|1,0,0]=4 43099 B12R0.117 CCCCCN(CC)CCCCO 2230a_100011217355_100000210326 [0,3,0,0,0,0|1,0,0]=4 43100 B12R0.117 CCCCCN(CC)CCCCO 269982a_100011217355_100000210215 [0,3,0,0,0,0|1,0,0]=4 43101 B12R0.117 CCCCCN(CF)CCCCC 269982a_100000210580_100015361967 [0,3,0,0,0,0|1,0,0]=4 43102 B12R0.634 CCCCCS(=O)(=O)NCCCC 270084a_100000102301_100000753860 [0,3,0,0,0,0|0,1,0]=4 43103 B12R0.634 CCCCCS(=O)(=O)NCCCC 274078a_100000102301_100000753860 [0,3,0,0,0,0|0,1,0]=4 43104 B12R0.6 CCCCC(C)OCC(C)(C)CC 7a_100000765029_200011215066 [0,3,0,0,0,0|0,0,0]=3 43105 B12R0.6 CCCCC(C)OCC(C)(C)CCl 7a_100011217199_200011215066 [0,3,0,0,0,0|1,0,0]=4 43106 B12R0.6 CCCCC(C)OCC(C)(C)CO 34a_100000687866_100009813988 [0,3,0,0,0,0|1,0,0]=4 43107 B12R0.6 CCCCC(C)OCC(C)(C)CO 7a_100000687866_100009813988 [0,3,0,0,0,0|1,0,0]=4 43108 B12R0.6 CCCCC(C)OCC(C)(C)OC 34a_100000687866_100000701081 [0,3,0,0,0,0|1,0,0]=4 43109 B12R0.6 CCCCC(C)OCC(F)(F)CN 34a_100000703232_200011215066 [0,3,0,0,0,0|1,0,0]=4 43110 B12R0.131 CCC(C)CCOCC(C)(C)CO 7a_100011215188_100009813988 [0,3,0,0,0,0|1,0,0]=4 43111 B12R0.131 CCC(C)COCCC(C)(C)OC 7a_100000699976_100000748023 [0,3,0,0,0,0|1,0,0]=4 43112 B12R0.131 CCC(C)COCCS(=O)(=O)CC 34a_200011216379_100000748023 [0,3,0,0,0,0|1,0,0]=4 43113 B12R0.131 CCC(C)COCCS(=O)(=O)CC 7a_200011216379_100000748023 [0,3,0,0,0,0|1,0,0]=4 43114 B12R0.131 CCC(O)COCCC(C)(C)OC 7a_100000699976_100011218378 [0,3,0,0,0,0|1,0,0]=4 43115 B12R0.131 CCC(O)COCCS(=O)(=O)CC 34a_200011216379_100011218378 [0,3,0,0,0,0|1,0,0]=4 43116 B12R0.131 CCC(O)COCCS(=O)(=O)CC 7a_200011216379_100011218378 [0,3,0,0,0,0|1,0,0]=4 43117 B12R0.131 CC[C@H](C)COCCC(C)(C)OC 7a_100000699976_100009816398 [0,3,0,0,0,0|1,0,0]=4 43118 B12R0.131 CC[C@H](C)COCCS(=O)(=O)CC 34a_200011216379_100009816398 [0,3,0,0,0,0|1,0,0]=4 43119 B12R0.131 CC[C@H](C)COCCS(=O)(=O)CC 7a_100009816381_100000756660 [0,3,0,0,0,0|1,0,0]=4 43120 B12R0.131 CC[C@H](C)COCCS(=O)(=O)CC 7a_200011216379_100009816398 [0,3,0,0,0,0|1,0,0]=4 43121 B12R0.318 CCCCCC(=O)CC(C)(C)CC 1458a_200000763500_100000210326 [0,3,0,0,0,0|1,0,0]=4 43122 B12R0.318 CCCCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210326 [0,3,0,0,0,0|1,0,0]=4 43123 B12R0.318 CCCCOC(C)CC(C)(C)OC 7a_200011252547_100000210211 [0,3,0,0,0,0|1,0,0]=4 43124 B12R0.435 C#CC(C)(CC)NCOCCCC 2230a_100000054623_100011995733 [0,3,0,0,0,0|1,0,0]=4 43125 B12R0.435 C#CC(C)(CC)OCOCCCC 34a_100000686493_100011995733 [0,3,0,0,0,0|1,0,0]=4 43126 B12R0.435 CCCCCOCC(C)(OC)OC 34a_100000210253_100000766008 [0,3,0,0,0,0|1,0,0]=4 43127 B12R0.435 CCCCOCSC(C)(CC)CC 62a_100009817345_100011995733 [0,3,0,0,0,0|1,0,0]=4 43128 B12R0.435 CCCCOCSC(C)(CC)CC 62a_100011995733_100009817345 [0,3,0,0,0,0|1,0,0]=4 43129 B12R0.133 CCC(CC)COC(C)CCCCl 34a_200000718107_100011215472 [0,3,0,0,0,0|1,0,0]=4 43130 B12R0.133 CCC(CC)COC(C)CCCCl 7a_200000718107_100011215472 [0,3,0,0,0,0|1,0,0]=4 43131 B12R0.133 CCCCC(C)NCC(CC)CC 2230a_100000126638_100011215472 [0,3,0,0,0,0|1,0,0]=4 43132 B12R0.133 CCCCC(C)NCC(CC)CC 2230a_100102946423_200011215066 [0,3,0,0,0,0|1,0,0]=4 43133 B12R0.133 CCCCC(C)NCC(CC)CC 269862a_100000126638_100000211137 [0,3,0,0,0,0|1,0,0]=4 43134 B12R0.133 CCCCC(C)NCC(CC)CC 270004a_100000126638_100000211137 [0,3,0,0,0,0|1,0,0]=4 43135 B12R0.133 CCCCC(C)NCC(CC)CC 270004a_100102946423_100000210087 [0,3,0,0,0,0|1,0,0]=4 43136 B12R0.133 CCCCC(C)NCC(CC)OC 270004a_100000731041_100000210087 [0,3,0,0,0,0|1,0,0]=4 43137 B12R0.133 CCCCC(C)OCC(CC)CC 34a_100000687866_100011215472 [0,3,0,0,0,0|0,0,0]=3 43138 B12R0.133 CCCCC(C)OCC(CC)CC 7a_100000687866_100011215472 [0,3,0,0,0,0|0,0,0]=3 43139 B12R0.133 CCCCC(C)OCC(CC)CC 7a_100000703878_200011215066 [0,3,0,0,0,0|0,0,0]=3 43140 B12R0.133 CCCCC(C)OCC(CC)OC 34a_100011934954_200011215066 [0,3,0,0,0,0|0,0,0]=3 43141 B12R0.133 CCCCC(C)OCC(CC)OC 7a_100011934954_200011215066 [0,3,0,0,0,0|0,0,0]=3 43142 B12R0.133 CCCCC(C)OCC(OC)OC 34a_100000687866_100000211822 [0,3,0,0,0,0|1,0,0]=4 43143 B12R0.133 CCCCC(C)OCC(OC)OC 34a_100011216393_200011215066 [0,3,0,0,0,0|1,0,0]=4 43144 B12R0.133 CCCCC(C)OCC(OC)OC 7a_100000687866_100000751394 [0,3,0,0,0,0|1,0,0]=4 43145 B12R0.133 CCCCC(C)OCN(CC)CC 7a_200015374951_200011215066 [0,3,0,0,0,0|1,0,0]=4 43146 B12R0.133 CCCCC(C)SCC(CC)CC 62a_100011215472_200011215066 [0,3,0,0,0,0|0,1,0]=4 43147 B12R0.133 CCCCC(C)SCC(CC)CC 62a_200011215066_100011215472 [0,3,0,0,0,0|0,1,0]=4 43148 B12R0.133 CCOCC(C)OCC(CC)CC 34a_100000718985_100011215472 [0,3,0,0,0,0|1,0,0]=4 43149 B12R0.133 CCOCC(C)OCC(CC)CC 7a_100000718985_100011215472 [0,3,0,0,0,0|1,0,0]=4 43150 B12R0.147 CCC(C)CC(C)NCC(O)CC 2230a_100000763565_100011218378 [0,3,0,0,0,0|1,0,0]=4 43151 B12R0.147 CCC(C)CC(C)NCC(O)CC 270004a_100011218483_100011710205 [0,3,0,0,0,0|1,0,0]=4 43152 B12R0.147 CCC(C)CC(C)NC[C@@H](C)CC 2230a_100000763565_100009816398 [0,3,0,0,0,0|1,0,0]=4 43153 B12R0.147 CCC(C)CCC(=O)CC(C)CC 1458a_100000701222_100000748023 [0,3,0,0,0,0|1,0,0]=4 43154 B12R0.147 CCC(C)CCC(=O)CC(O)CC 1458a_100000701222_100011218378 [0,3,0,0,0,0|1,0,0]=4 43155 B12R0.147 CCC(C)CCC(=O)C[C@@H](C)CC 1458a_100000701222_100009816398 [0,3,0,0,0,0|1,0,0]=4 43156 B12R0.147 CCC(C)CNC(C)CC(C)CC 2230a_100000763565_100000748023 [0,3,0,0,0,0|1,0,0]=4 43157 B12R0.147 CCC(C)CNC(C)CC(C)CC 270004a_100000763565_100000243153 [0,3,0,0,0,0|1,0,0]=4 43158 B12R0.147 CCC(C)CNC(C)CC(C)CC 270004a_100020588543_100011710205 [0,3,0,0,0,0|1,0,0]=4 43159 B12R0.216 C#CC(CCCC)OCC(=O)CC 7a_200011217967_100000747405 [0,3,0,0,0,0|0,0,1]=4 43160 B12R0.216 C#CC(CCCC)OCC(C)CC 34a_200011217967_100000748023 [0,3,0,0,0,0|0,0,0]=3 43161 B12R0.216 C#CC(CCCC)OCC(C)CC 7a_200011217967_100000748023 [0,3,0,0,0,0|0,0,0]=3 43162 B12R0.216 C#CC(CCCC)OCC(O)CC 34a_200011217967_100011218378 [0,3,0,0,0,0|0,0,0]=3 43163 B12R0.216 C#CC(CCCC)OCC(O)CC 7a_200011217967_100011218378 [0,3,0,0,0,0|0,0,0]=3 43164 B12R0.216 C#CC(CCCC)OCC(O)CO 34a_200011217967_100011219619 [0,3,0,0,0,0|1,0,0]=4 43165 B12R0.216 C#CC(CCCC)OCC(O)CO 7a_200011217967_100011219619 [0,3,0,0,0,0|1,0,0]=4 43166 B12R0.216 C#CC(CCCC)OC[C@@H](C)CC 34a_200011217967_100009816398 [0,3,0,0,0,0|0,0,0]=3 43167 B12R0.216 C#CC(CCCC)OC[C@@H](C)CC 7a_200011217967_100009816398 [0,3,0,0,0,0|0,0,0]=3 43168 B12R0.216 C#CC(CCCC)OC[C@@H](C)CO 34a_200011217967_100000059175 [0,3,0,0,0,0|1,0,0]=4 43169 B12R0.216 C#CC(CCCC)OC[C@@H](C)CO 7a_200011217967_100000059175 [0,3,0,0,0,0|1,0,0]=4 43170 B12R0.216 C#CC(CCCC)OC[C@@H](O)CF 34a_200011217967_100015614560 [0,3,0,0,0,0|1,0,0]=4 43171 B12R0.216 C#CC(CCCC)OC[C@@H](O)CF 7a_200011217967_100015614560 [0,3,0,0,0,0|1,0,0]=4 43172 B12R0.216 C#CC(CCCC)OC[C@@H](O)CO 34a_200011217967_100009815848 [0,3,0,0,0,0|1,0,0]=4 43173 B12R0.216 C#CC(CCCC)OC[C@@H](O)CO 7a_200011217967_100009815848 [0,3,0,0,0,0|1,0,0]=4 43174 B12R0.216 C=CC(CCCC)OCC(=O)CC 7a_200011215037_100000747405 [0,3,0,0,0,0|0,0,1]=4 43175 B12R0.216 C=CC(CCCC)OCC(C)CC 34a_200011215037_100000748023 [0,3,0,0,0,0|0,0,0]=3 43176 B12R0.216 C=CC(CCCC)OCC(C)CC 7a_200011215037_100000748023 [0,3,0,0,0,0|0,0,0]=3 43177 B12R0.216 C=CC(CCCC)OCC(O)CC 34a_200011215037_100011218378 [0,3,0,0,0,0|0,0,0]=3 43178 B12R0.216 C=CC(CCCC)OCC(O)CC 7a_200011215037_100011218378 [0,3,0,0,0,0|0,0,0]=3 43179 B12R0.216 C=CC(CCCC)OCC(O)CO 34a_200011215037_100011219619 [0,3,0,0,0,0|1,0,0]=4 43180 B12R0.216 C=CC(CCCC)OCC(O)CO 7a_200011215037_100011219619 [0,3,0,0,0,0|1,0,0]=4 43181 B12R0.216 C=CC(CCCC)OC[C@@H](C)CC 34a_200011215037_100009816398 [0,3,0,0,0,0|0,0,0]=3 43182 B12R0.216 C=CC(CCCC)OC[C@@H](C)CC 7a_200011215037_100009816398 [0,3,0,0,0,0|0,0,0]=3 43183 B12R0.216 C=CC(CCCC)OC[C@@H](C)CO 34a_200011215037_100000059175 [0,3,0,0,0,0|1,0,0]=4 43184 B12R0.216 C=CC(CCCC)OC[C@@H](C)CO 7a_200011215037_100000059175 [0,3,0,0,0,0|1,0,0]=4 43185 B12R0.216 C=CC(CCCC)OC[C@@H](O)CF 34a_200011215037_100015614560 [0,3,0,0,0,0|1,0,0]=4 43186 B12R0.216 C=CC(CCCC)OC[C@@H](O)CF 7a_200011215037_100015614560 [0,3,0,0,0,0|1,0,0]=4 43187 B12R0.216 C=CC(CCCC)OC[C@@H](O)CO 34a_200011215037_100009815848 [0,3,0,0,0,0|1,0,0]=4 43188 B12R0.216 C=CC(CCCC)OC[C@@H](O)CO 7a_200011215037_100009815848 [0,3,0,0,0,0|1,0,0]=4 43189 B12R0.216 CCCCC(CC)NCC(C)CC 270004a_100020588543_100000753412 [0,3,0,0,0,0|1,0,0]=4 43190 B12R0.216 CCCCC(CC)NCC(O)CC 270004a_100011218483_100000753412 [0,3,0,0,0,0|1,0,0]=4 43191 B12R0.216 CCCCC(CC)OCC(=O)CC 34a_100000725409_200011216223 [0,3,0,0,0,0|0,0,1]=4 43192 B12R0.216 CCCCC(CC)OCC(=O)CC 7a_100011215227_100000747405 [0,3,0,0,0,0|0,0,1]=4 43193 B12R0.216 CCCCC(CC)OCC(C)CC 34a_100011215227_100000748023 [0,3,0,0,0,0|0,0,0]=3 43194 B12R0.216 CCCCC(CC)OCC(C)CC 7a_100011215227_100000748023 [0,3,0,0,0,0|0,0,0]=3 43195 B12R0.216 CCCCC(CC)OCC(C)CN 34a_100000744482_200011216223 [0,3,0,0,0,0|1,0,0]=4 43196 B12R0.216 CCCCC(CC)OCC(C)OC 34a_100000690652_200011216223 [0,3,0,0,0,0|1,0,0]=4 43197 B12R0.216 CCCCC(CC)OCC(Cl)CCl 34a_100000033668_200011216223 [0,3,0,0,0,0|1,0,0]=4 43198 B12R0.216 CCCCC(CC)OCC(O)CC 34a_100011215227_100011218378 [0,3,0,0,0,0|0,0,0]=3 43199 B12R0.216 CCCCC(CC)OCC(O)CC 7a_100011215227_100011218378 [0,3,0,0,0,0|0,0,0]=3 43200 B12R0.216 CCCCC(CC)OCC(O)CO 34a_100011215227_100011219619 [0,3,0,0,0,0|1,0,0]=4 43201 B12R0.216 CCCCC(CC)OCC(O)CO 7a_100011215227_100011219619 [0,3,0,0,0,0|1,0,0]=4 43202 B12R0.216 CCCCC(CC)OC[C@@H](C)CC 34a_100011215227_100009816398 [0,3,0,0,0,0|0,0,0]=3 43203 B12R0.216 CCCCC(CC)OC[C@@H](C)CC 7a_100009816381_200011216223 [0,3,0,0,0,0|0,0,0]=3 43204 B12R0.216 CCCCC(CC)OC[C@@H](C)CC 7a_100011215227_100009816398 [0,3,0,0,0,0|0,0,0]=3 43205 B12R0.216 CCCCC(CC)OC[C@@H](C)CO 34a_100011215227_100000059175 [0,3,0,0,0,0|1,0,0]=4 43206 B12R0.216 CCCCC(CC)OC[C@@H](C)CO 7a_100011215227_100000059175 [0,3,0,0,0,0|1,0,0]=4 43207 B12R0.216 CCCCC(CC)OC[C@@H](O)CF 34a_100011215227_100015614560 [0,3,0,0,0,0|1,0,0]=4 43208 B12R0.216 CCCCC(CC)OC[C@@H](O)CF 7a_100011215227_100015614560 [0,3,0,0,0,0|1,0,0]=4 43209 B12R0.216 CCCCC(CC)OC[C@@H](O)CO 34a_100011215227_100009815848 [0,3,0,0,0,0|1,0,0]=4 43210 B12R0.216 CCCCC(CC)OC[C@@H](O)CO 7a_100011215227_100009815848 [0,3,0,0,0,0|1,0,0]=4 43211 B12R0.216 CCCCC(CC)OC[C@H](F)CN 34a_100015665980_200011216223 [0,3,0,0,0,0|1,0,0]=4 43212 B12R0.216 CCCCC(CC)SCC(C)CC 62a_100000748023_200011216223 [0,3,0,0,0,0|0,1,0]=4 43213 B12R0.216 CCCCC(CC)SCC(C)CC 62a_200011216223_100000748023 [0,3,0,0,0,0|0,1,0]=4 43214 B12R0.216 CCCCC(CC)SCC(O)CC 62a_100011218378_200011216223 [0,3,0,0,0,0|0,1,0]=4 43215 B12R0.216 CCCCC(CC)SCC(O)CC 62a_200011216223_100011218378 [0,3,0,0,0,0|0,1,0]=4 43216 B12R0.216 CCCCC(CC)SC[C@@H](C)CC 62a_100009816398_200011216223 [0,3,0,0,0,0|0,1,0]=4 43217 B12R0.216 CCCCC(CC)SC[C@@H](C)CC 62a_200011216223_100009816398 [0,3,0,0,0,0|0,1,0]=4 43218 B12R0.216 CCCC[C@@H](CO)NCC(C)CC 2230a_100011934283_100000748023 [0,3,0,0,0,0|1,0,0]=4 43219 B12R0.216 CCCC[C@@H](CO)NCC(C)CC 270004a_100011934283_100000243153 [0,3,0,0,0,0|1,0,0]=4 43220 B12R0.216 CCCC[C@@H](CO)NCC(C)CC 34a_100011934283_100000748023 [0,3,0,0,0,0|1,0,0]=4 43221 B12R0.216 CCCC[C@@H](CO)NCC(O)CC 2230a_100011934283_100011218378 [0,3,0,0,0,0|1,0,0]=4 43222 B12R0.216 CCCC[C@@H](CO)NCC(O)CC 34a_100011934283_100011218378 [0,3,0,0,0,0|1,0,0]=4 43223 B12R0.216 CCCC[C@@H](CO)NC[C@@H](C)CC 2230a_100011934283_100009816398 [0,3,0,0,0,0|1,0,0]=4 43224 B12R0.216 CCCC[C@@H](CO)NC[C@@H](C)CC 34a_100011934283_100009816398 [0,3,0,0,0,0|1,0,0]=4 43225 B12R0.216 CCOCC(CN)OCC(C)CC 34a_102515437182_100000748023 [0,3,0,0,0,0|1,0,0]=4 43226 B12R0.216 CCOCC(CN)OCC(O)CC 34a_102515437182_100011218378 [0,3,0,0,0,0|1,0,0]=4 43227 B12R0.216 CCOCC(CN)OC[C@@H](C)CC 34a_102515437182_100009816398 [0,3,0,0,0,0|1,0,0]=4 43228 B12R0.252 CCCCC(C)C(=O)CC(C)CC 1458a_100000708755_200011215066 [0,3,0,0,0,0|1,0,0]=4 43229 B12R0.252 CCCCC(C)C(=O)CC(C)CC 1458a_100000725509_100000748023 [0,3,0,0,0,0|1,0,0]=4 43230 B12R0.252 CCCCC(C)C(=O)CC(O)CC 1458a_100000725509_100011218378 [0,3,0,0,0,0|1,0,0]=4 43231 B12R0.252 CCCCC(C)C(=O)CC(O)CC 1458a_100011667805_200011215066 [0,3,0,0,0,0|1,0,0]=4 43232 B12R0.252 CCCCC(C)C(=O)C[C@@H](C)CC 1458a_100000725509_100009816398 [0,3,0,0,0,0|1,0,0]=4 43233 B12R0.252 CCCCC(C)N(C)CC(C)CC 2230a_100000753921_200011215066 [0,3,0,0,0,0|1,0,0]=4 43234 B12R0.252 CCCCC(C)N(C)CC(C)CC 269982a_100000753921_200011215066 [0,3,0,0,0,0|1,0,0]=4 43235 B12R0.252 CCCCC(C)N(C)CC(C)CC 270004a_100000753921_100000210087 [0,3,0,0,0,0|1,0,0]=4 43236 B12R0.252 CCCCC(O)C(=O)CC(C)CC 1458a_100000720857_100000748023 [0,3,0,0,0,0|1,0,0]=4 43237 B12R0.252 CCCCC(O)C(=O)CC(O)CC 1458a_100000720857_100011218378 [0,3,0,0,0,0|1,0,0]=4 43238 B12R0.252 CCCCC(O)C(=O)C[C@@H](C)CC 1458a_100000720857_100009816398 [0,3,0,0,0,0|1,0,0]=4 43239 B12R0.252 CCCCN(C)C(C)CC(C)CC 270004a_100000207549_100011710205 [0,3,0,0,0,0|1,0,0]=4 43240 B12R0.328 CCC(C)COC(C)(C)CCCBr 7a_100009888830_100000748023 [0,3,0,0,0,0|1,0,0]=4 43241 B12R0.328 CCC(O)COC(C)(C)CCCBr 7a_100009888830_100011218378 [0,3,0,0,0,0|1,0,0]=4 43242 B12R0.328 CCCCC(C)(C)OCC(=O)CC 7a_100011219641_100000747405 [0,3,0,0,0,0|0,0,1]=4 43243 B12R0.328 CCCCC(C)(C)OCC(C)CC 7a_100011219641_100000748023 [0,3,0,0,0,0|0,0,0]=3 43244 B12R0.328 CCCCC(C)(C)OCC(O)CC 7a_100011219641_100011218378 [0,3,0,0,0,0|0,0,0]=3 43245 B12R0.328 CCCCC(C)(C)OCC(O)CO 7a_100011219641_100011219619 [0,3,0,0,0,0|1,0,0]=4 43246 B12R0.328 CCCCC(C)(C)OC[C@@H](C)CC 7a_100011219641_100009816398 [0,3,0,0,0,0|0,0,0]=3 43247 B12R0.328 CCCCC(C)(C)OC[C@@H](C)CO 7a_100011219641_100000059175 [0,3,0,0,0,0|1,0,0]=4 43248 B12R0.328 CCCCC(C)(C)OC[C@@H](O)CF 7a_100011219641_100015614560 [0,3,0,0,0,0|1,0,0]=4 43249 B12R0.328 CCCCC(C)(C)OC[C@@H](O)CO 7a_100011219641_100009815848 [0,3,0,0,0,0|1,0,0]=4 43250 B12R0.328 CC[C@H](C)COC(C)(C)CCCBr 7a_100009888830_100009816398 [0,3,0,0,0,0|1,0,0]=4 43251 B12R0.130 CCC(C)CCNCC(CC)CC 2230a_100020591266_100011215472 [0,3,0,0,0,0|1,0,0]=4 43252 B12R0.130 CCC(C)CCNCC(CC)CC 269862a_100020591266_100000211137 [0,3,0,0,0,0|1,0,0]=4 43253 B12R0.130 CCC(C)CCNCC(CC)CC 270004a_100020591266_100000211137 [0,3,0,0,0,0|1,0,0]=4 43254 B12R0.130 CCC(C)CCOCC(CC)CC 7a_100011215188_100011215472 [0,3,0,0,0,0|0,0,0]=3 43255 B12R0.130 CCC(C)CCOCC(OC)OC 7a_100011215188_100000751394 [0,3,0,0,0,0|1,0,0]=4 43256 B12R0.130 CCC(C)COCCN(CC)CC 7a_100016990331_100000748023 [0,3,0,0,0,0|1,0,0]=4 43257 B12R0.130 CCC(CC)COCCC(C)OC 7a_100000764861_100011215472 [0,3,0,0,0,0|1,0,0]=4 43258 B12R0.130 CCC(O)COCCN(CC)CC 7a_100016990331_100011218378 [0,3,0,0,0,0|1,0,0]=4 43259 B12R0.130 CC[C@H](C)COCCC(OC)OC 7a_100009816381_100009813347 [0,3,0,0,0,0|1,0,0]=4 43260 B12R0.130 CC[C@H](C)COCCN(CC)CC 7a_100009816381_100000700428 [0,3,0,0,0,0|1,0,0]=4 43261 B12R0.130 CC[C@H](C)COCCN(CC)CC 7a_100016990331_100009816398 [0,3,0,0,0,0|1,0,0]=4 43262 B12R0.144 CCCCCC(=O)CC(CC)CC 1458a_100000212188_100011215472 [0,3,0,0,0,0|1,0,0]=4 43263 B12R0.144 CCCCCN(C)CC(CC)CC 2230a_100000223495_100011215472 [0,3,0,0,0,0|1,0,0]=4 43264 B12R0.144 CCCCCN(C)CC(CC)CC 269982a_100000223495_100011215472 [0,3,0,0,0,0|1,0,0]=4 43265 B12R0.144 CCCCCN(C)CC(CC)CC 270004a_100000223495_100000211137 [0,3,0,0,0,0|1,0,0]=4 43266 B12R0.144 CCCCOC(C)CC(OC)OC 7a_100011018202_100000210211 [0,3,0,0,0,0|1,0,0]=4 43267 B12R0.126 CCC(C)CC(CC)OCCCF 7a_200011216566_100011934791 [0,3,0,0,0,0|1,0,0]=4 43268 B12R0.126 CCC(C)CC(CC)OCCCO 7a_200011216566_100011215043 [0,3,0,0,0,0|1,0,0]=4 43269 B12R0.126 CCC(C)CC(CC)OCCOC 7a_200011216566_100000233755 [0,3,0,0,0,0|1,0,0]=4 43270 B12R0.126 CCC(C)CC(CC)OCCSC 7a_200011216566_100000212216 [0,3,0,0,0,0|1,0,0]=4 43271 B12R0.126 CCCCCN(CC)CC(O)CC 2230a_100011365200_100000210326 [0,3,0,0,0,0|1,0,0]=4 43272 B12R0.126 CCCCCN(CC)CC(O)CC 269982a_100011365200_100000210215 [0,3,0,0,0,0|1,0,0]=4 43273 B12R0.126 CCCCNC(CC)CC(C)CC 270004a_100000102301_100000184709 [0,3,0,0,0,0|1,0,0]=4 43274 B12R0.126 CCCCOC(CC)CC(C)CC 7a_200011216566_100000210211 [0,3,0,0,0,0|0,0,0]=3 43275 B12R0.291 CCCCC(=O)C(C)(C)CCCC 1458a_100011216040_100000210211 [0,3,0,0,0,0|1,0,0]=4 43276 B12R0.291 CCCCC(=O)C(C)(O)CCCC 1458a_100000137666_100000210211 [0,3,0,0,0,0|1,0,0]=4 43277 B12R0.291 CCCCC(=O)C(F)(F)CCCC 1458a_100000100317_100000210211 [0,3,0,0,0,0|1,0,0]=4 43278 B12R0.351 CCCCC(=O)C(CC)CCCC 1458a_100000210183_200011216223 [0,3,0,0,0,0|1,0,0]=4 43279 B12R0.351 CCCCC(=O)C(CC)CCCC 1458a_100000211130_100000210211 [0,3,0,0,0,0|1,0,0]=4 43280 B12R0.351 CCCCC(=O)C(CCCC)OC 34a_200000040183_200000210301 [0,3,0,0,0,0|1,0,0]=4 43281 B12R0.351 CCCCC(=O)C(CCCC)OC 7a_200000040183_200000210301 [0,3,0,0,0,0|1,0,0]=4 43282 B12R0.351 CCCCC(=O)C(CCCC)O[13CH3] 34a_200000040183_200025704644 [0,3,0,0,0,0|1,0,0]=4 43283 B12R0.351 CCCCC(=O)C(CCCC)O[13CH3] 7a_200000040183_200025704644 [0,3,0,0,0,0|1,0,0]=4 43284 B12R0.351 CCCCC(C)N(CC)CCCC 2230a_100000207695_200011215066 [0,3,0,0,0,0|1,0,0]=4 43285 B12R0.351 CCCCC(C)N(CC)CCCC 269982a_100000207695_200011215066 [0,3,0,0,0,0|1,0,0]=4 43286 B12R0.351 CCCCC(C)N(CC)CCCC 270004a_100000207695_100000210087 [0,3,0,0,0,0|1,0,0]=4 43287 B12R0.351 CCCCC(CC)N(C)CCCC 269982a_100000207549_200011216223 [0,3,0,0,0,0|1,0,0]=4 43288 B12R0.351 CCCCC(CC)N(C)CCCC 270004a_100000207549_100000753412 [0,3,0,0,0,0|1,0,0]=4 43289 B12R0.118 C=CCC(CCCC)OCCCC 34a_200011216941_100000210210 [0,3,0,0,0,0|0,0,0]=3 43290 B12R0.118 C=CCC(CCCC)OCCCC 7a_200011216941_100000210211 [0,3,0,0,0,0|0,0,0]=3 43291 B12R0.118 C=CCC(CCCC)OCCCF 34a_200011216941_100011934791 [0,3,0,0,0,0|1,0,0]=4 43292 B12R0.118 C=CCC(CCCC)OCCCF 7a_200011216941_100011934791 [0,3,0,0,0,0|1,0,0]=4 43293 B12R0.118 C=CCC(CCCC)OCCCO 34a_200011216941_100000230001 [0,3,0,0,0,0|1,0,0]=4 43294 B12R0.118 C=CCC(CCCC)OCCCO 7a_200011216941_100011215043 [0,3,0,0,0,0|1,0,0]=4 43295 B12R0.118 C=CCC(CCCC)OCCOC 34a_200011216941_100011201679 [0,3,0,0,0,0|1,0,0]=4 43296 B12R0.118 C=CCC(CCCC)OCCOC 7a_200011216941_100000233755 [0,3,0,0,0,0|1,0,0]=4 43297 B12R0.118 C=CCC(CCCC)OCCSC 34a_200011216941_100000212216 [0,3,0,0,0,0|1,0,0]=4 43298 B12R0.118 C=CCC(CCCC)OCCSC 7a_200011216941_100000212216 [0,3,0,0,0,0|1,0,0]=4 43299 B12R0.118 CCCCC(CCC)OCCCBr 34a_100011217188_100000211913 [0,3,0,0,0,0|1,0,0]=4 43300 B12R0.118 CCCCC(CCC)OCCCCl 34a_100000230001_100000211913 [0,3,0,0,0,0|1,0,0]=4 43301 B12R0.118 CCCCC(CCC)OCCCF 34a_100000759539_100000211913 [0,3,0,0,0,0|1,0,0]=4 43302 B12R0.118 CCCCC(CCC)OCCCF 34a_100011215800_100011934791 [0,3,0,0,0,0|1,0,0]=4 43303 B12R0.118 CCCCC(CCC)OCCCF 7a_100011215800_100011934791 [0,3,0,0,0,0|1,0,0]=4 43304 B12R0.118 CCCCC(CCC)OCCCN 34a_100000182051_100000211913 [0,3,0,0,0,0|1,0,0]=4 43305 B12R0.118 CCCCC(CCC)OCCCO 34a_100011215800_100000230001 [0,3,0,0,0,0|1,0,0]=4 43306 B12R0.118 CCCCC(CCC)OCCCO 7a_100011215800_100011215043 [0,3,0,0,0,0|1,0,0]=4 43307 B12R0.118 CCCCC(CCC)OCCOC 34a_100000210237_100000211913 [0,3,0,0,0,0|1,0,0]=4 43308 B12R0.118 CCCCC(CCC)OCCOC 34a_100011215800_100011201679 [0,3,0,0,0,0|1,0,0]=4 43309 B12R0.118 CCCCC(CCC)OCCOC 7a_100011215800_100000233755 [0,3,0,0,0,0|1,0,0]=4 43310 B12R0.118 CCCCC(CCC)OCCSC 34a_100000230434_100000211913 [0,3,0,0,0,0|1,0,0]=4 43311 B12R0.118 CCCCC(CCC)OCCSC 34a_100011215800_100000212216 [0,3,0,0,0,0|1,0,0]=4 43312 B12R0.118 CCCCC(CCC)OCCSC 7a_100000230434_100000211913 [0,3,0,0,0,0|1,0,0]=4 43313 B12R0.118 CCCCC(CCC)OCCSC 7a_100011215800_100000212216 [0,3,0,0,0,0|1,0,0]=4 43314 B12R0.118 CCCCCC(CCCC)NCC 270004a_100015525214_200011218572 [0,3,0,0,0,0|1,0,0]=4 43315 B12R0.118 CCCCCN(CC#N)CCCC 2230a_200011192266_100000210326 [0,3,0,0,0,0|1,0,0]=4 43316 B12R0.118 CCCCCN(CCC)CCCC 2230a_200000207744_100000210326 [0,3,0,0,0,0|1,0,0]=4 43317 B12R0.118 CCCCCN(CCC)CCCC 2230a_200000226819_100000210211 [0,3,0,0,0,0|1,0,0]=4 43318 B12R0.118 CCCCCN(CCC)CCCC 269982a_200000207744_100000210215 [0,3,0,0,0,0|1,0,0]=4 43319 B12R0.118 CCCCCN(CCC)CCCC 269982a_200000226819_100000210211 [0,3,0,0,0,0|1,0,0]=4 43320 B12R0.118 CCCCCN(CCO)CCCC 2230a_100000198060_100000210326 [0,3,0,0,0,0|1,0,0]=4 43321 B12R0.118 CCCCCN(CCO)CCCC 2230a_100000224656_100000210211 [0,3,0,0,0,0|1,0,0]=4 43322 B12R0.118 CCCCCN(CCO)CCCC 269982a_100000198060_100000210215 [0,3,0,0,0,0|1,0,0]=4 43323 B12R0.118 CCCCCN(CCO)CCCC 269982a_100000224656_100000210211 [0,3,0,0,0,0|1,0,0]=4 43324 B12R0.118 CCCCNC(CCC)CCCC 7a_106832991798_100000211913 [0,3,0,0,0,0|1,0,0]=4 43325 B12R0.118 CCCCOC(CCC)CCCC 34a_100000210227_100000211913 [0,3,0,0,0,0|0,0,0]=3 43326 B12R0.118 CCCCOC(CCC)CCCC 34a_100011215800_100000210210 [0,3,0,0,0,0|0,0,0]=3 43327 B12R0.118 CCCCOC(CCC)CCCC 7a_100000210227_100000211913 [0,3,0,0,0,0|0,0,0]=3 43328 B12R0.118 CCCCOC(CCC)CCCC 7a_100011215800_100000210211 [0,3,0,0,0,0|0,0,0]=3 43329 B12R0.118 CCCCSC(CCC)CCCC 62a_100000210211_100000211913 [0,3,0,0,0,0|0,1,0]=4 43330 B12R0.118 CCCCSC(CCC)CCCC 62a_100000211913_100000210210 [0,3,0,0,0,0|0,1,0]=4 43331 B12R0.244 CCCCC(OCCCBr)C(=O)N 34a_100011217188_100000748834 [0,3,0,0,0,0|1,0,0]=4 43332 B12R0.244 CCCCC(OCCCCl)C(=O)N 34a_100000230001_100000748834 [0,3,0,0,0,0|1,0,0]=4 43333 B12R0.244 CCCCC(OCCCF)C(=O)N 34a_100000759539_100000748834 [0,3,0,0,0,0|1,0,0]=4 43334 B12R0.244 CCCCC(OCCCN)C(=O)N 34a_100000182051_100000748834 [0,3,0,0,0,0|1,0,0]=4 43335 B12R0.244 CCCCC(OCCOC)C(=O)N 34a_100000210237_100000748834 [0,3,0,0,0,0|1,0,0]=4 43336 B12R0.244 CCCCC(OCCSC)C(=O)N 34a_100000230434_100000748834 [0,3,0,0,0,0|1,0,0]=4 43337 B12R0.244 CCCCC(OCCSC)C(=O)N 7a_100000230434_100000748834 [0,3,0,0,0,0|1,0,0]=4 43338 B12R0.244 CCCCCC(CCCC)N(C)C 270004a_100102631434_200011218572 [0,3,0,0,0,0|1,0,0]=4 43339 B12R0.244 CCCCCN(CCCC)C(C)C 2230a_100000207398_100000210326 [0,3,0,0,0,0|1,0,0]=4 43340 B12R0.244 CCCCCN(CCCC)C(C)C 2230a_100000223497_100000210211 [0,3,0,0,0,0|1,0,0]=4 43341 B12R0.244 CCCCCN(CCCC)C(C)C 269982a_100000207398_100000210215 [0,3,0,0,0,0|1,0,0]=4 43342 B12R0.244 CCCCCN(CCCC)C(C)C 269982a_100000223497_100000210211 [0,3,0,0,0,0|1,0,0]=4 43343 B12R0.244 CCCCNC(CCCC)C(=O)N 2230a_100000102301_100000748834 [0,3,0,0,0,0|1,0,0]=4 43344 B12R0.244 CCCCNC(CCCC)C(=O)N 7a_106832991798_100000748834 [0,3,0,0,0,0|1,0,0]=4 43345 B12R0.244 CCCCNC(CCCC)C(C)C 270004a_100000102301_200011215219 [0,3,0,0,0,0|1,0,0]=4 43346 B12R0.244 CCCCN[C@@H](CCCC)C(=O)N 2230a_100000124899_100000210211 [0,3,0,0,0,0|1,0,0]=4 43347 B12R0.244 CCCCN[C@@H](CCCC)C(=O)N 34a_100000124899_100000210210 [0,3,0,0,0,0|1,0,0]=4 43348 B12R0.244 CCCCOC(CCCC)C(=O)N 34a_100000210227_100000748834 [0,3,0,0,0,0|0,0,0]=3 43349 B12R0.244 CCCCOC(CCCC)C(=O)N 7a_100000210227_100000748834 [0,3,0,0,0,0|0,0,0]=3 43350 B12R0.244 CCCCSC(CCCC)C(=O)N 62a_100000210211_100000748834 [0,3,0,0,0,0|0,1,0]=4 43351 B12R0.244 CCCCSC(CCCC)C(=O)N 62a_100000748834_100000210210 [0,3,0,0,0,0|0,1,0]=4 43352 B12R0.932 CCCCC(C)(CC)OCCCF 7a_200011218725_100011934791 [0,3,0,0,0,0|1,0,0]=4 43353 B12R0.932 CCCCC(C)(CC)OCCCO 7a_200011218725_100011215043 [0,3,0,0,0,0|1,0,0]=4 43354 B12R0.932 CCCCC(C)(CC)OCCOC 7a_200011218725_100000233755 [0,3,0,0,0,0|1,0,0]=4 43355 B12R0.932 CCCCC(C)(CC)OCCSC 7a_200011218725_100000212216 [0,3,0,0,0,0|1,0,0]=4 43356 B12R0.932 CCCCOC(C)(CC)CCCC 7a_200011218725_100000210211 [0,3,0,0,0,0|0,0,0]=3 43357 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [2,0,0,1,0,0|1,0,0]=4 43358 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [2,0,0,1,0,0|1,0,0]=4 43359 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [2,0,0,1,0,0|1,0,0]=4 43360 B8R1.2 CCN1CCOCC1 2230a_100015191051_100000210202 [2,0,0,1,0,0|1,0,0]=4 43361 B8R1.2 CCN1CCOCC1 269982a_100015191051_100000204670 [2,0,0,1,0,0|1,0,0]=4 43362 B8R1.2 CCN1CCOCC1 34a_100015191051_100000210202 [2,0,0,1,0,0|1,0,0]=4 43363 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [2,0,0,1,0,0|1,0,0]=4 43364 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [2,0,0,1,0,0|1,0,0]=4 43365 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [2,0,0,1,0,0|1,0,0]=4 43366 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [2,0,0,1,0,0|1,0,0]=4 43367 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [2,0,0,1,0,0|1,0,0]=4 43368 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [2,0,0,1,0,0|1,0,0]=4 43369 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [2,0,0,1,0,0|1,0,0]=4 43370 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [2,0,0,1,0,0|1,0,0]=4 43371 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [2,0,0,1,0,0|1,0,0]=4 43372 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [2,0,0,1,0,0|1,0,0]=4 43373 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [2,0,0,1,0,0|1,0,0]=4 43374 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [2,0,0,1,0,0|1,0,0]=4 43375 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [2,0,0,1,0,0|1,0,0]=4 43376 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [2,0,0,1,0,0|1,0,0]=4 43377 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [2,0,0,1,0,0|1,0,0]=4 43378 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [2,0,0,1,0,0|1,0,0]=4 43379 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [2,0,0,1,0,0|1,0,0]=4 43380 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [2,0,0,1,0,0|1,0,0]=4 43381 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [2,0,0,1,0,0|1,0,0]=4 43382 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [2,0,0,1,0,0|1,0,0]=4 43383 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [2,0,0,1,0,0|1,0,0]=4 43384 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [2,0,0,1,0,0|1,0,0]=4 43385 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [2,0,0,1,0,0|1,0,0]=4 43386 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [2,0,0,1,0,0|1,0,0]=4 43387 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [2,0,0,1,0,0|1,0,0]=4 43388 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [2,0,0,1,0,0|1,0,0]=4 43389 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [2,0,0,1,0,0|1,0,0]=4 43390 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [2,0,0,1,0,0|1,0,0]=4 43391 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [2,0,0,1,0,0|1,0,0]=4 43392 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [2,0,0,1,0,0|1,0,0]=4 43393 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [2,0,0,1,0,0|1,0,0]=4 43394 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [2,0,0,1,0,0|1,0,0]=4 43395 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [2,0,0,1,0,0|1,0,0]=4 43396 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [2,0,0,1,0,0|1,0,0]=4 43397 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [2,0,0,1,0,0|1,0,0]=4 43398 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [2,0,0,1,0,0|1,0,0]=4 43399 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [2,0,0,1,0,0|1,0,0]=4 43400 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [2,0,0,1,0,0|1,0,0]=4 43401 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [2,0,0,1,0,0|1,0,0]=4 43402 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [2,0,0,1,0,0|1,0,0]=4 43403 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [2,0,0,1,0,0|1,0,0]=4 43404 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [2,0,0,1,0,0|1,0,0]=4 43405 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [2,0,0,1,0,0|1,0,0]=4 43406 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [2,0,0,1,0,0|1,0,0]=4 43407 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [2,0,0,1,0,0|1,0,0]=4 43408 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [2,0,0,1,0,0|1,0,0]=4 43409 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [2,0,0,1,0,0|1,0,0]=4 43410 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [2,0,0,1,0,0|1,0,0]=4 43411 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [2,0,0,1,0,0|1,0,0]=4 43412 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [2,0,0,1,0,0|1,0,0]=4 43413 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [2,0,0,1,0,0|1,0,0]=4 43414 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [2,0,0,1,0,0|1,0,0]=4 43415 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [2,0,0,1,0,0|1,0,0]=4 43416 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [2,0,0,1,0,0|1,0,0]=4 43417 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [2,0,0,1,0,0|1,0,0]=4 43418 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [2,0,0,1,0,0|1,0,0]=4 43419 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [2,0,0,1,0,0|1,0,0]=4 43420 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [2,0,0,1,0,0|1,0,0]=4 43421 B8R1.8 CCNC1CCOC1 2230a_100015525214_100000731011 [2,0,0,1,0,0|1,0,0]=4 43422 B8R1.8 CCNC1CCOC1 270004a_100015525214_100000752484 [2,0,0,1,0,0|1,0,0]=4 43423 B8R1.8 CCN[C@@H]1CCOC1 2230a_200015188469_100000210202 [2,0,0,1,0,0|1,0,0]=4 43424 B8R1.8 CCN[C@H]1CCOC1 2230a_100015188467_100000210202 [2,0,0,1,0,0|1,0,0]=4 43425 B8R1.8 CCN[C@H]1CCOC1 34a_100015188467_100000210202 [2,0,0,1,0,0|1,0,0]=4 43426 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [2,0,0,1,0,0|0,0,0]=3 43427 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [2,0,0,1,0,0|0,0,0]=3 43428 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [2,0,0,1,0,0|0,0,0]=3 43429 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [2,0,0,1,0,0|1,0,0]=4 43430 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [2,0,0,1,0,0|1,0,0]=4 43431 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [2,0,0,1,0,0|1,0,0]=4 43432 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [2,0,0,1,0,0|1,0,0]=4 43433 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [2,0,0,1,0,0|0,1,0]=4 43434 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [2,0,0,1,0,0|0,1,0]=4 43435 B8R1.8 CCSC1CCOC1 62a_100000210202_100000690089 [2,0,0,1,0,0|1,0,0]=4 43436 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [2,0,0,1,0,0|1,0,0]=4 43437 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [2,0,0,1,0,0|1,0,0]=4 43438 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [2,0,0,1,0,0|1,0,0]=4 43439 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [2,0,0,1,0,0|1,0,0]=4 43440 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [2,0,0,1,0,0|1,0,0]=4 43441 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [2,0,0,1,0,0|1,0,0]=4 43442 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [2,0,0,1,0,0|1,0,0]=4 43443 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [2,0,0,1,0,0|1,0,0]=4 43444 B8R1.8 CNCC1CCOC1 2230a_100000737293_200000210301 [2,0,0,1,0,0|1,0,0]=4 43445 B8R1.8 CNCC1CCOC1 2230a_106832991635_100000702531 [2,0,0,1,0,0|1,0,0]=4 43446 B8R1.8 CNCC1CCOC1 34a_100000737293_200000210301 [2,0,0,1,0,0|1,0,0]=4 43447 B8R1.8 CNCC1CCOC1 34a_100102657272_100011261433 [2,0,0,1,0,0|1,0,0]=4 43448 B8R1.8 CNCC1CCOC1 7a_106832991635_100000702531 [2,0,0,1,0,0|1,0,0]=4 43449 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [2,0,0,1,0,0|1,0,0]=4 43450 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [2,0,0,1,0,0|1,0,0]=4 43451 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [2,0,0,1,0,0|1,0,0]=4 43452 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [2,0,0,1,0,0|1,0,0]=4 43453 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [2,0,0,1,0,0|1,0,0]=4 43454 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [2,0,0,1,0,0|1,0,0]=4 43455 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [2,0,0,1,0,0|1,0,0]=4 43456 B8R1.8 COCC1CCOC1 34a_100000740260_200000210301 [2,0,0,1,0,0|1,0,0]=4 43457 B8R1.8 COCC1CCOC1 34a_100138415774_100011261433 [2,0,0,1,0,0|1,0,0]=4 43458 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [2,0,0,1,0,0|1,0,0]=4 43459 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [2,0,0,1,0,0|1,0,0]=4 43460 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [2,0,0,1,0,0|1,0,0]=4 43461 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [2,0,0,1,0,0|1,0,0]=4 43462 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [2,0,0,1,0,0|1,0,0]=4 43463 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [2,0,0,1,0,0|1,0,0]=4 43464 B8R1.8 FCOC1CCCC1 34a_100000210269_100015361967 [2,0,0,1,0,0|1,0,0]=4 43465 B8R1.8 FCOC1CCCC1 7a_100000210269_100015361967 [2,0,0,1,0,0|1,0,0]=4 43466 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [2,0,0,1,0,0|1,0,0]=4 43467 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [2,0,0,1,0,0|1,0,0]=4 43468 B8R1.8 [13CH3]NCC1CCOC1 2230a_100000737293_200025704644 [2,0,0,1,0,0|1,0,0]=4 43469 B8R1.8 [13CH3]NCC1CCOC1 34a_100000737293_200025704644 [2,0,0,1,0,0|1,0,0]=4 43470 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [2,0,0,1,0,0|1,0,0]=4 43471 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [2,0,0,1,0,0|1,0,0]=4 43472 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [2,0,0,1,0,0|1,0,0]=4 43473 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [2,0,0,1,0,0|1,0,0]=4 43474 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [2,0,0,1,0,0|1,0,0]=4 43475 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [2,0,0,1,0,0|1,0,0]=4 43476 B8R1.8 [13CH3]OCC1CCOC1 34a_100000740260_200025704644 [2,0,0,1,0,0|1,0,0]=4 43477 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [2,0,0,1,0,0|1,0,0]=4 43478 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [2,0,0,1,0,0|1,0,0]=4 43479 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [2,0,0,1,0,0|1,0,0]=4 43480 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [2,0,0,1,0,0|1,0,0]=4 43481 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [2,0,0,1,0,0|1,0,0]=4 43482 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [2,0,0,1,0,0|1,0,0]=4 43483 B8R1.9 CC1CC1COCF 34a_100000744939_100015361967 [2,0,0,1,0,0|1,0,0]=4 43484 B8R1.9 CC1CC1COCF 7a_100000744939_100015361967 [2,0,0,1,0,0|1,0,0]=4 43485 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [2,0,0,1,0,0|0,0,0]=3 43486 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [2,0,0,1,0,0|0,0,0]=3 43487 B8R1.10 BrCCOC1CCC1 34a_100000211926_100000749161 [2,0,0,1,0,0|1,0,0]=4 43488 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [2,0,0,1,0,0|1,0,0]=4 43489 B8R1.10 CCCNC1CCC1 2230a_100000749019_100000210303 [2,0,0,1,0,0|1,0,0]=4 43490 B8R1.10 CCCNC1CCC1 270004a_100020643023_100000241760 [2,0,0,1,0,0|1,0,0]=4 43491 B8R1.10 CCCNC1CCC1 34a_100000749019_100000210303 [2,0,0,1,0,0|1,0,0]=4 43492 B8R1.10 CCCOC1CCC1 34a_100000210258_100000749161 [2,0,0,1,0,0|0,0,0]=3 43493 B8R1.10 CCCOC1CCC1 34a_100000748187_100000210303 [2,0,0,1,0,0|0,0,0]=3 43494 B8R1.10 CCCOC1COC1 34a_100000210258_100009818527 [2,0,0,1,0,0|1,0,0]=4 43495 B8R1.10 CCCOC1CSC1 7a_100000072292_100000210303 [2,0,0,1,0,0|1,0,0]=4 43496 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [2,0,0,1,0,0|0,1,0]=4 43497 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [2,0,0,1,0,0|1,0,0]=4 43498 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [2,0,0,1,0,0|1,0,0]=4 43499 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [2,0,0,1,0,0|1,0,0]=4 43500 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [2,0,0,1,0,0|1,0,0]=4 43501 B8R1.10 CCNCC1CCO1 2230a_100015525214_100000103362 [2,0,0,1,0,0|1,0,0]=4 43502 B8R1.10 CCNC[C@@H]1CCO1 2230a_100020831831_100000210202 [2,0,0,1,0,0|1,0,0]=4 43503 B8R1.10 CCNC[C@@H]1CCO1 34a_100020831831_100000210202 [2,0,0,1,0,0|1,0,0]=4 43504 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [2,0,0,1,0,0|0,0,0]=3 43505 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [2,0,0,1,0,0|0,0,0]=3 43506 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [2,0,0,1,0,0|1,0,0]=4 43507 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [2,0,0,1,0,0|1,0,0]=4 43508 B8R1.10 CCOCC1CNC1 34a_100016987283_100000210202 [2,0,0,1,0,0|1,0,0]=4 43509 B8R1.10 CCOCC1COC1 34a_100000060846_100000210202 [2,0,0,1,0,0|1,0,0]=4 43510 B8R1.10 CCOCC1COC1 34a_100121572206_100010264016 [2,0,0,1,0,0|1,0,0]=4 43511 B8R1.10 CCOCN1CCC1 269982a_100000754969_100000739092 [2,0,0,1,0,0|1,0,0]=4 43512 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [2,0,0,1,0,0|0,1,0]=4 43513 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [2,0,0,1,0,0|0,1,0]=4 43514 B8R1.10 CCSCC1CCO1 62a_100000103362_100000210202 [2,0,0,1,0,0|1,0,0]=4 43515 B8R1.10 CCSCC1CCO1 62a_100000210202_100000103362 [2,0,0,1,0,0|1,0,0]=4 43516 B8R1.10 CSCOC1CCC1 34a_100000748187_100011218213 [2,0,0,1,0,0|1,0,0]=4 43517 B8R1.10 FCCOC1CCC1 34a_100000748187_100011217306 [2,0,0,1,0,0|1,0,0]=4 43518 B8R1.10 FCOCC1CCC1 34a_100000760304_100015361967 [2,0,0,1,0,0|1,0,0]=4 43519 B8R1.10 NCCOC1CCC1 34a_100000210304_100000749161 [2,0,0,1,0,0|1,0,0]=4 43520 B8R1.10 OCCOC1CCC1 34a_100000748187_100000211926 [2,0,0,1,0,0|1,0,0]=4 43521 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [2,0,0,1,0,0|1,0,0]=4 43522 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [2,0,0,1,0,0|1,0,0]=4 43523 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [2,0,0,1,0,0|1,0,0]=4 43524 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [2,0,0,1,0,0|1,0,0]=4 43525 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [2,0,0,1,0,0|1,0,0]=4 43526 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [2,0,0,1,0,0|1,0,0]=4 43527 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [2,0,0,1,0,0|1,0,0]=4 43528 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [2,0,0,1,0,0|1,0,0]=4 43529 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [2,0,0,1,0,0|1,0,0]=4 43530 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [2,0,0,1,0,0|1,0,0]=4 43531 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [2,0,0,1,0,0|1,0,0]=4 43532 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [2,0,0,1,0,0|1,0,0]=4 43533 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [2,0,0,1,0,0|1,0,0]=4 43534 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [2,0,0,1,0,0|1,0,0]=4 43535 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [2,0,0,1,0,0|1,0,0]=4 43536 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [2,0,0,1,0,0|1,0,0]=4 43537 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [2,0,0,1,0,0|1,0,0]=4 43538 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [2,0,0,1,0,0|1,0,0]=4 43539 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [2,0,0,1,0,0|1,0,0]=4 43540 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [2,0,0,1,0,0|1,0,0]=4 43541 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [2,0,0,1,0,0|1,0,0]=4 43542 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [2,0,0,1,0,0|1,0,0]=4 43543 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [2,0,0,1,0,0|1,0,0]=4 43544 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [2,0,0,1,0,0|1,0,0]=4 43545 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [2,0,0,1,0,0|1,0,0]=4 43546 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [2,0,0,1,0,0|1,0,0]=4 43547 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [2,0,0,1,0,0|1,0,0]=4 43548 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [2,0,0,1,0,0|1,0,0]=4 43549 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [2,0,0,1,0,0|1,0,0]=4 43550 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [2,0,0,1,0,0|1,0,0]=4 43551 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [2,0,0,1,0,0|1,0,0]=4 43552 B8R1.36 BrCCCOC1CC1 34a_100011217188_100000211595 [2,0,0,1,0,0|1,0,0]=4 43553 B8R1.36 BrCCOCC1CC1 34a_100000211926_100000742324 [2,0,0,1,0,0|1,0,0]=4 43554 B8R1.36 CCCCNC1CC1 34a_100000212008_100000210210 [2,0,0,1,0,0|1,0,0]=4 43555 B8R1.36 CCCCOC1CC1 34a_100000210227_100000211595 [2,0,0,1,0,0|0,0,0]=3 43556 B8R1.36 CCCCSC1CC1 62a_100000210211_100000211595 [2,0,0,1,0,0|0,1,0]=4 43557 B8R1.36 CCCNCC1CC1 2230a_100000735609_100000210303 [2,0,0,1,0,0|1,0,0]=4 43558 B8R1.36 CCCNCC1CC1 269862a_100020643023_100000741477 [2,0,0,1,0,0|1,0,0]=4 43559 B8R1.36 CCCNCC1CC1 34a_100000735609_100000210303 [2,0,0,1,0,0|1,0,0]=4 43560 B8R1.36 CCCOCC1CC1 34a_100000210258_100000742324 [2,0,0,1,0,0|0,0,0]=3 43561 B8R1.36 CCCOCC1CC1 34a_100000211283_100000210303 [2,0,0,1,0,0|0,0,0]=3 43562 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [2,0,0,1,0,0|1,0,0]=4 43563 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [2,0,0,1,0,0|1,0,0]=4 43564 B8R1.36 CCCSCC1CC1 62a_100000210303_100000742324 [2,0,0,1,0,0|0,1,0]=4 43565 B8R1.36 CCCSCC1CC1 62a_100000756562_100000210303 [2,0,0,1,0,0|0,1,0]=4 43566 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [2,0,0,1,0,0|1,0,0]=4 43567 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [2,0,0,1,0,0|1,0,0]=4 43568 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [2,0,0,1,0,0|0,0,0]=3 43569 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [2,0,0,1,0,0|0,0,0]=3 43570 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [2,0,0,1,0,0|0,0,0]=3 43571 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [2,0,0,1,0,0|1,0,0]=4 43572 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [2,0,0,1,0,0|1,0,0]=4 43573 B8R1.36 CCOCSC1CC1 62a_100000739092_100000211595 [2,0,0,1,0,0|1,0,0]=4 43574 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [2,0,0,1,0,0|0,1,0]=4 43575 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [2,0,0,1,0,0|0,1,0]=4 43576 B8R1.36 COCCOC1CC1 34a_100000210237_100000211595 [2,0,0,1,0,0|1,0,0]=4 43577 B8R1.36 CSCCOC1CC1 34a_100000230434_100000211595 [2,0,0,1,0,0|1,0,0]=4 43578 B8R1.36 CSCOCC1CC1 34a_100000211283_100011218213 [2,0,0,1,0,0|1,0,0]=4 43579 B8R1.36 ClCCCOC1CC1 34a_100000230001_100000211595 [2,0,0,1,0,0|1,0,0]=4 43580 B8R1.36 FCCCOC1CC1 34a_100000759539_100000211595 [2,0,0,1,0,0|1,0,0]=4 43581 B8R1.36 FCCOCC1CC1 34a_100000211283_100011217306 [2,0,0,1,0,0|1,0,0]=4 43582 B8R1.36 FCOCCC1CC1 34a_100000754188_100015361967 [2,0,0,1,0,0|1,0,0]=4 43583 B8R1.36 FCOCCC1CC1 7a_100000754188_100015361967 [2,0,0,1,0,0|1,0,0]=4 43584 B8R1.36 NCCCOC1CC1 34a_100000182051_100000211595 [2,0,0,1,0,0|1,0,0]=4 43585 B8R1.36 NCCOCC1CC1 34a_100000210304_100000742324 [2,0,0,1,0,0|1,0,0]=4 43586 B8R1.36 OCCOCC1CC1 34a_100000211283_100000211926 [2,0,0,1,0,0|1,0,0]=4 43587 B10R1.10 CCCN1CCCC(C1)F 2230a_100000697950_100000210303 [1,1,0,1,0,0|1,0,0]=4 43588 B10R1.10 CCCN1CCCC(C1)F 269982a_100000697950_100000210303 [1,1,0,1,0,0|1,0,0]=4 43589 B10R1.10 CCCN1CCCC(C1)F 34a_100000697950_100000210303 [1,1,0,1,0,0|1,0,0]=4 43590 B10R1.10 CCCN1CCCC(C1)O 2230a_100000211013_100000210303 [1,1,0,1,0,0|1,0,0]=4 43591 B10R1.10 CCCN1CCCC(C1)O 269982a_100000211013_100000210303 [1,1,0,1,0,0|1,0,0]=4 43592 B10R1.10 CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210303 [1,1,0,1,0,0|1,0,0]=4 43593 B10R1.10 CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210303 [1,1,0,1,0,0|1,0,0]=4 43594 B10R1.10 CCCN1CCC[C@@H](C1)C 34a_100000717927_100000210303 [1,1,0,1,0,0|1,0,0]=4 43595 B10R1.10 CCNC1CCCC(C1)C 2230a_100011194320_100000210202 [1,1,0,1,0,0|1,0,0]=4 43596 B10R1.10 CCNC1CCCC(C1)C 270004a_100015525214_100000183594 [1,1,0,1,0,0|1,0,0]=4 43597 B10R1.10 CCNC1CCCC(C1)C 34a_100011194320_100000210202 [1,1,0,1,0,0|1,0,0]=4 43598 B10R1.10 CCNC1CCCC(C1)O 2230a_100015190357_100000210202 [1,1,0,1,0,0|1,0,0]=4 43599 B10R1.10 CCNC1CCCC(C1)O 270004a_100015525214_100012613340 [1,1,0,1,0,0|1,0,0]=4 43600 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [1,1,0,1,0,0|1,0,0]=4 43601 B10R1.10 CNCC1CCCC(C1)O 2230a_100011254705_200000210301 [1,1,0,1,0,0|1,0,0]=4 43602 B10R1.10 [13CH3]NCC1CCCC(C1)O 2230a_100011254705_200025704644 [1,1,0,1,0,0|1,0,0]=4 43603 B10R1.16 CC1CCC(C1)OCCF 34a_100000698185_100011217306 [1,1,0,1,0,0|1,0,0]=4 43604 B10R1.16 CC1CCC(C1)OCCO 34a_100000698185_100000211926 [1,1,0,1,0,0|1,0,0]=4 43605 B10R1.16 CCCCN1CCC(C1)O 2230a_100011215560_100000210211 [1,1,0,1,0,0|1,0,0]=4 43606 B10R1.16 CCCCN1CCC(C1)O 269982a_100011215560_100000210211 [1,1,0,1,0,0|1,0,0]=4 43607 B10R1.16 CCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210211 [1,1,0,1,0,0|1,0,0]=4 43608 B10R1.16 CCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210211 [1,1,0,1,0,0|1,0,0]=4 43609 B10R1.16 CCCCN1CC[C@@H](C1)F 34a_100015203821_100000210210 [1,1,0,1,0,0|1,0,0]=4 43610 B10R1.16 CCCCN1CC[C@H](C1)C 2230a_100016987628_100000210211 [1,1,0,1,0,0|1,0,0]=4 43611 B10R1.16 CCCCN1CC[C@H](C1)C 269982a_100016987628_100000210211 [1,1,0,1,0,0|1,0,0]=4 43612 B10R1.16 CCCCN1CC[C@H](C1)C 34a_100016987628_100000210210 [1,1,0,1,0,0|1,0,0]=4 43613 B10R1.16 CCCNC1CCC(C1)C 270004a_100020643023_100011215218 [1,1,0,1,0,0|1,0,0]=4 43614 B10R1.16 CCCNC1CCC(C1)O 270004a_100020643023_100012614533 [1,1,0,1,0,0|1,0,0]=4 43615 B10R1.16 CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210303 [1,1,0,1,0,0|1,0,0]=4 43616 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [1,1,0,1,0,0|0,0,1]=4 43617 B10R1.16 CCCOC1CCC(C1)C 34a_100000698185_100000210303 [1,1,0,1,0,0|0,0,0]=3 43618 B10R1.16 CSCOC1CCC(C1)C 34a_100000698185_100011218213 [1,1,0,1,0,0|1,0,0]=4 43619 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [1,1,0,1,0,0|0,0,1]=4 43620 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [1,1,0,1,0,0|0,0,1]=4 43621 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [1,1,0,1,0,0|0,0,1]=4 43622 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [1,1,0,1,0,0|0,0,1]=4 43623 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [1,1,0,1,0,0|0,0,1]=4 43624 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [1,1,0,1,0,0|0,0,1]=4 43625 B10R1.18 CC(C)CN1CCCOC1 2230a_100000131196_100000210760 [1,1,0,1,0,0|1,0,0]=4 43626 B10R1.18 CC(C)CN1CCCOC1 269982a_100000131196_100000210624 [1,1,0,1,0,0|1,0,0]=4 43627 B10R1.18 CC(C)CN1CCCOC1 270004a_100000131196_100000210432 [1,1,0,1,0,0|1,0,0]=4 43628 B10R1.18 CC(C)CN1CCCOC1 34a_100000131196_100000210624 [1,1,0,1,0,0|1,0,0]=4 43629 B10R1.18 CC(C)NC1CCCCC1 2230a_100000182618_100000210206 [1,1,0,1,0,0|1,0,0]=4 43630 B10R1.18 CC(C)NC1CCCCC1 34a_100000182618_100000210206 [1,1,0,1,0,0|1,0,0]=4 43631 B10R1.18 CC(C)NC1CCCCC1 34a_100138425928_100000210327 [1,1,0,1,0,0|1,0,0]=4 43632 B10R1.18 CC(C)NC1CCCOC1 2230a_100000719290_100000210206 [1,1,0,1,0,0|1,0,0]=4 43633 B10R1.18 CC(C)NC1CCCOC1 34a_100000719290_100000210206 [1,1,0,1,0,0|1,0,0]=4 43634 B10R1.18 CC(C)NC1CCCOC1 34a_100138425928_100000693364 [1,1,0,1,0,0|1,0,0]=4 43635 B10R1.18 CC(C)OC1CCCCC1 34a_100000210231_100000210206 [1,1,0,1,0,0|1,0,0]=4 43636 B10R1.18 CC(C)OC1CCCCC1 34a_100000212225_100000210327 [1,1,0,1,0,0|1,0,0]=4 43637 B10R1.18 CC(C)OC1CCCCC1 7a_100000210231_100000210206 [1,1,0,1,0,0|1,0,0]=4 43638 B10R1.18 CC(C)OC1CCCCO1 34a_100000033831_100000210206 [1,1,0,1,0,0|1,0,0]=4 43639 B10R1.18 CC(C)OC1CCCOC1 34a_100000212225_100000693364 [1,1,0,1,0,0|1,0,0]=4 43640 B10R1.18 CC(C)OC1CCCOC1 34a_100000754041_100000210206 [1,1,0,1,0,0|1,0,0]=4 43641 B10R1.18 CC(C)SC1CCCCC1 62a_100000210206_100000210327 [1,1,0,1,0,0|1,0,0]=4 43642 B10R1.18 CC(C)SC1CCCCC1 62a_100000210327_100000210206 [1,1,0,1,0,0|1,0,0]=4 43643 B10R1.18 CC(C)SC1CCCOC1 62a_100000210206_100000693364 [1,1,0,1,0,0|1,0,0]=4 43644 B10R1.18 CC(O)CN1CCCOC1 2230a_100000131196_100011218427 [1,1,0,1,0,0|1,0,0]=4 43645 B10R1.18 CC(O)CN1CCCOC1 269982a_100000131196_100011218427 [1,1,0,1,0,0|1,0,0]=4 43646 B10R1.18 CC(O)CN1CCCOC1 34a_100000131196_100011218427 [1,1,0,1,0,0|1,0,0]=4 43647 B10R1.18 CN(C)CC1CCCCC1 2230a_100000736448_200000210301 [1,1,0,1,0,0|1,0,0]=4 43648 B10R1.18 CN(C)CC1CCCCC1 2230a_100102631434_100000211423 [1,1,0,1,0,0|1,0,0]=4 43649 B10R1.18 CN(C)CC1CCCCC1 269982a_100000736448_200000210301 [1,1,0,1,0,0|1,0,0]=4 43650 B10R1.18 CN(C)CC1CCCCC1 269982a_100102631434_100000211423 [1,1,0,1,0,0|1,0,0]=4 43651 B10R1.18 CN(C)CC1CCCCC1 34a_100000736448_200000210301 [1,1,0,1,0,0|1,0,0]=4 43652 B10R1.18 CN(C)CC1CCCCO1 2230a_100000225654_200000210301 [1,1,0,1,0,0|1,0,0]=4 43653 B10R1.18 CN(C)CC1CCCCO1 2230a_100102631434_100000211543 [1,1,0,1,0,0|1,0,0]=4 43654 B10R1.18 CN(C)CC1CCCCO1 269982a_100000225654_200000210301 [1,1,0,1,0,0|1,0,0]=4 43655 B10R1.18 CN(C)CC1CCCCO1 269982a_100102631434_100000211543 [1,1,0,1,0,0|1,0,0]=4 43656 B10R1.18 CN(C)CC1CCCCO1 34a_100000225654_200000210301 [1,1,0,1,0,0|1,0,0]=4 43657 B10R1.18 CN(C)CC1CCCOC1 2230a_100102631434_100000741521 [1,1,0,1,0,0|1,0,0]=4 43658 B10R1.18 CN(C)CC1CCCOC1 269982a_100102631434_100000741521 [1,1,0,1,0,0|1,0,0]=4 43659 B10R1.18 CN([13CH3])CC1CCCCC1 2230a_100000736448_200025704644 [1,1,0,1,0,0|1,0,0]=4 43660 B10R1.18 CN([13CH3])CC1CCCCC1 269982a_100000736448_200025704644 [1,1,0,1,0,0|1,0,0]=4 43661 B10R1.18 CN([13CH3])CC1CCCCC1 34a_100000736448_200025704644 [1,1,0,1,0,0|1,0,0]=4 43662 B10R1.18 CN([13CH3])CC1CCCCO1 2230a_100000225654_200025704644 [1,1,0,1,0,0|1,0,0]=4 43663 B10R1.18 CN([13CH3])CC1CCCCO1 269982a_100000225654_200025704644 [1,1,0,1,0,0|1,0,0]=4 43664 B10R1.18 CN([13CH3])CC1CCCCO1 34a_100000225654_200025704644 [1,1,0,1,0,0|1,0,0]=4 43665 B10R1.18 C[C@@H](O)CN1CCCOC1 2230a_100000131196_100009817552 [1,1,0,1,0,0|1,0,0]=4 43666 B10R1.18 C[C@@H](O)CN1CCCOC1 269982a_100000131196_100009817552 [1,1,0,1,0,0|1,0,0]=4 43667 B10R1.18 C[C@@H](O)CN1CCCOC1 34a_100000131196_100009817552 [1,1,0,1,0,0|1,0,0]=4 43668 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [1,1,0,1,0,0|0,0,1]=4 43669 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [1,1,0,1,0,0|0,0,1]=4 43670 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [1,1,0,1,0,0|0,0,1]=4 43671 B10R1.24 C=C1CC(C1)COCCC 34a_100011011225_100000210303 [1,1,0,1,0,0|0,0,1]=4 43672 B10R1.24 CCCCCN1CC(C1)C 2230a_100000702820_100000210326 [1,1,0,1,0,0|1,0,0]=4 43673 B10R1.24 CCCCCN1CC(C1)C 269982a_100000702820_100000210215 [1,1,0,1,0,0|1,0,0]=4 43674 B10R1.24 CCCCCN1CC(C1)C 34a_100000702820_100000718602 [1,1,0,1,0,0|1,0,0]=4 43675 B10R1.24 CCCCCN1CC(C1)F 2230a_100000690557_100000210326 [1,1,0,1,0,0|1,0,0]=4 43676 B10R1.24 CCCCCN1CC(C1)F 269982a_100000690557_100000210215 [1,1,0,1,0,0|1,0,0]=4 43677 B10R1.24 CCCCCN1CC(C1)F 34a_100000690557_100000718602 [1,1,0,1,0,0|1,0,0]=4 43678 B10R1.24 CCCCCN1CC(C1)O 269982a_100000749847_100000210215 [1,1,0,1,0,0|1,0,0]=4 43679 B10R1.24 CCCCNC1CC(C1)F 2230a_100016993743_100000210211 [1,1,0,1,0,0|1,0,0]=4 43680 B10R1.24 CCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210211 [1,1,0,1,0,0|1,0,0]=4 43681 B10R1.24 CCCNCC1CC(C1)O 2230a_100016992100_100000210303 [1,1,0,1,0,0|1,0,0]=4 43682 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [1,1,0,1,0,0|0,0,1]=4 43683 B10R1.24 CCCOCC1CC(C1)Cl 34a_100009874164_100000210303 [1,1,0,1,0,0|0,0,0]=3 43684 B10R1.24 CSCOCC1CC(C1)Cl 34a_100009874164_100011218213 [1,1,0,1,0,0|1,0,0]=4 43685 B10R1.24 FCCOCC1CC(C1)Cl 34a_100009874164_100011217306 [1,1,0,1,0,0|1,0,0]=4 43686 B10R1.24 OCCOCC1CC(C1)Cl 34a_100009874164_100000211926 [1,1,0,1,0,0|1,0,0]=4 43687 B10R1.38 CCN1CCOCC1(C)C 2230a_100000724681_100000210202 [1,1,0,1,0,0|1,0,0]=4 43688 B10R1.38 CCN1CCOCC1(C)C 269982a_100000724681_100000204670 [1,1,0,1,0,0|1,0,0]=4 43689 B10R1.38 CCN1CCOCC1(C)C 34a_100000724681_100000210202 [1,1,0,1,0,0|1,0,0]=4 43690 B10R1.38 CNC1CCCCC1(C)C 269862a_106832991636_100000031690 [1,1,0,1,0,0|1,0,0]=4 43691 B10R1.39 CCC1CCCC1N(C)C 270004a_100102631434_100000749056 [1,1,0,1,0,0|1,0,0]=4 43692 B10R1.39 CCC1CCCN1C(C)C 2230a_100000754278_100000210206 [1,1,0,1,0,0|1,0,0]=4 43693 B10R1.39 CCC1CCCN1C(C)C 269982a_100000754278_100000210206 [1,1,0,1,0,0|1,0,0]=4 43694 B10R1.39 CCC1CCCN1C(C)C 34a_100000754278_100000210206 [1,1,0,1,0,0|1,0,0]=4 43695 B10R1.39 CCN1CCCC1C(C)C 2230a_100000762757_100000210202 [1,1,0,1,0,0|1,0,0]=4 43696 B10R1.39 CCN1CCCC1C(C)C 269982a_100000762757_100000204670 [1,1,0,1,0,0|1,0,0]=4 43697 B10R1.39 CCN1CCCC1C(C)C 34a_100000762757_100000210202 [1,1,0,1,0,0|1,0,0]=4 43698 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [1,1,0,1,0,0|0,0,1]=4 43699 B10R1.61 CC(C)C1CCCCN1C 2230a_100000757267_200000210301 [1,1,0,1,0,0|1,0,0]=4 43700 B10R1.61 CC(C)C1CCCCN1C 269982a_100000757267_200000210301 [1,1,0,1,0,0|1,0,0]=4 43701 B10R1.61 CC(C)C1CCCCN1C 34a_100000757267_200000210301 [1,1,0,1,0,0|1,0,0]=4 43702 B10R1.61 CC(C)C1CCCCN1[13CH3] 2230a_100000757267_200025704644 [1,1,0,1,0,0|1,0,0]=4 43703 B10R1.61 CC(C)C1CCCCN1[13CH3] 269982a_100000757267_200025704644 [1,1,0,1,0,0|1,0,0]=4 43704 B10R1.61 CC(C)C1CCCCN1[13CH3] 34a_100000757267_200025704644 [1,1,0,1,0,0|1,0,0]=4 43705 B10R1.61 CC(C)N1CCCCC1C 2230a_100000211376_100000210206 [1,1,0,1,0,0|1,0,0]=4 43706 B10R1.61 CC(C)N1CCCCC1C 269982a_100000211376_100000210206 [1,1,0,1,0,0|1,0,0]=4 43707 B10R1.61 CC(C)N1CCCCC1C 34a_100000211376_100000210206 [1,1,0,1,0,0|1,0,0]=4 43708 B10R1.61 CC(C)N1CCOC[C@@H]1C 2230a_100009815349_100000210206 [1,1,0,1,0,0|1,0,0]=4 43709 B10R1.61 CC(C)N1CCOC[C@@H]1C 269982a_100009815349_100000210206 [1,1,0,1,0,0|1,0,0]=4 43710 B10R1.61 CC(C)N1CCOC[C@@H]1C 34a_100009815349_100000210206 [1,1,0,1,0,0|1,0,0]=4 43711 B10R1.61 CC(C)[C@H]1COCCN1C 2230a_100025712635_200000210301 [1,1,0,1,0,0|1,0,0]=4 43712 B10R1.61 CC(C)[C@H]1COCCN1C 269982a_100025712635_200000210301 [1,1,0,1,0,0|1,0,0]=4 43713 B10R1.61 CC(C)[C@H]1COCCN1C 34a_100025712635_200000210301 [1,1,0,1,0,0|1,0,0]=4 43714 B10R1.61 CC(C)[C@H]1COCCN1[13CH3] 2230a_100025712635_200025704644 [1,1,0,1,0,0|1,0,0]=4 43715 B10R1.61 CC(C)[C@H]1COCCN1[13CH3] 269982a_100025712635_200025704644 [1,1,0,1,0,0|1,0,0]=4 43716 B10R1.61 CC(C)[C@H]1COCCN1[13CH3] 34a_100025712635_200025704644 [1,1,0,1,0,0|1,0,0]=4 43717 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [1,1,0,1,0,0|0,0,1]=4 43718 B10R1.61 CC1CCCCC1N(C)C 270004a_100102631434_100000210921 [1,1,0,1,0,0|1,0,0]=4 43719 B10R1.61 CC1COCCC1N(C)C 270004a_100102631434_100000755695 [1,1,0,1,0,0|1,0,0]=4 43720 B10R1.64 CC(C)CC1CCCN1C 2230a_100000748429_200000210301 [1,1,0,1,0,0|1,0,0]=4 43721 B10R1.64 CC(C)CC1CCCN1C 269982a_100000748429_200000210301 [1,1,0,1,0,0|1,0,0]=4 43722 B10R1.64 CC(C)CC1CCCN1C 34a_100000748429_200000210301 [1,1,0,1,0,0|1,0,0]=4 43723 B10R1.64 CC(C)CC1CCCN1[13CH3] 2230a_100000748429_200025704644 [1,1,0,1,0,0|1,0,0]=4 43724 B10R1.64 CC(C)CC1CCCN1[13CH3] 269982a_100000748429_200025704644 [1,1,0,1,0,0|1,0,0]=4 43725 B10R1.64 CC(C)CC1CCCN1[13CH3] 34a_100000748429_200025704644 [1,1,0,1,0,0|1,0,0]=4 43726 B10R1.64 CC(C)CN1CCC[C@@H]1C 2230a_100020605311_100000210760 [1,1,0,1,0,0|1,0,0]=4 43727 B10R1.64 CC(C)CN1CCC[C@@H]1C 269982a_100020605311_100000210624 [1,1,0,1,0,0|1,0,0]=4 43728 B10R1.64 CC(C)CN1CCC[C@@H]1C 270004a_100020605311_100000210432 [1,1,0,1,0,0|1,0,0]=4 43729 B10R1.64 CC(C)CN1CCC[C@H]1C 2230a_100015189458_100000210760 [1,1,0,1,0,0|1,0,0]=4 43730 B10R1.64 CC(C)CN1CCC[C@H]1C 269982a_100015189458_100000210624 [1,1,0,1,0,0|1,0,0]=4 43731 B10R1.64 CC(C)CN1CCC[C@H]1C 270004a_100015189458_100000210432 [1,1,0,1,0,0|1,0,0]=4 43732 B10R1.64 CC(C)CN1CCC[C@H]1C 34a_100015189458_100000210624 [1,1,0,1,0,0|1,0,0]=4 43733 B10R1.64 CC(C)OC1CCCC1C 34a_100011216460_100000210206 [1,1,0,1,0,0|1,0,0]=4 43734 B10R1.64 CC(C)OC1CCCC1C 7a_100011216460_100000210206 [1,1,0,1,0,0|1,0,0]=4 43735 B10R1.64 CC(O)CN1CCC[C@@H]1C 2230a_100020605311_100011218427 [1,1,0,1,0,0|1,0,0]=4 43736 B10R1.64 CC(O)CN1CCC[C@@H]1C 269982a_100020605311_100011218427 [1,1,0,1,0,0|1,0,0]=4 43737 B10R1.64 CC(O)CN1CCC[C@H]1C 2230a_100015189458_100011218427 [1,1,0,1,0,0|1,0,0]=4 43738 B10R1.64 CC(O)CN1CCC[C@H]1C 269982a_100015189458_100011218427 [1,1,0,1,0,0|1,0,0]=4 43739 B10R1.64 CC(O)CN1CCC[C@H]1C 34a_100015189458_100011218427 [1,1,0,1,0,0|1,0,0]=4 43740 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 2230a_100020605311_100009817552 [1,1,0,1,0,0|1,0,0]=4 43741 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 269982a_100020605311_100009817552 [1,1,0,1,0,0|1,0,0]=4 43742 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 2230a_100015189458_100009817552 [1,1,0,1,0,0|1,0,0]=4 43743 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 269982a_100015189458_100009817552 [1,1,0,1,0,0|1,0,0]=4 43744 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 34a_100015189458_100009817552 [1,1,0,1,0,0|1,0,0]=4 43745 B10R1.66 C=C(C)COC1CCCC1 34a_100000210245_100000179811 [1,1,0,1,0,0|0,0,1]=4 43746 B10R1.66 C=C(C)COC1CCCC1 34a_100000210269_100000748629 [1,1,0,1,0,0|0,0,1]=4 43747 B10R1.66 C=C(C)COC1CCCC1 7a_100000210269_100000748629 [1,1,0,1,0,0|0,0,1]=4 43748 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [1,1,0,1,0,0|0,0,1]=4 43749 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [1,1,0,1,0,0|0,0,1]=4 43750 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [1,1,0,1,0,0|0,0,1]=4 43751 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [1,1,0,1,0,0|0,0,1]=4 43752 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [1,1,0,1,0,0|0,0,1]=4 43753 B10R1.66 CC(Br)COC1CCCC1 34a_100012180447_100000179811 [1,1,0,1,0,0|0,0,0]=3 43754 B10R1.66 CC(Br)COC1CCOC1 34a_100012180447_100000690089 [1,1,0,1,0,0|1,0,0]=4 43755 B10R1.66 CC(C)CCN1CCCC1 2230a_100000188435_100000210312 [1,1,0,1,0,0|1,0,0]=4 43756 B10R1.66 CC(C)CCN1CCCC1 269982a_100000188435_100000210312 [1,1,0,1,0,0|1,0,0]=4 43757 B10R1.66 CC(C)CNC1CCCC1 2230a_100000210953_100000179811 [1,1,0,1,0,0|1,0,0]=4 43758 B10R1.66 CC(C)CNC1CCCC1 2230a_100000211070_100000210760 [1,1,0,1,0,0|1,0,0]=4 43759 B10R1.66 CC(C)CNC1CCCC1 270004a_100000210953_100000210133 [1,1,0,1,0,0|1,0,0]=4 43760 B10R1.66 CC(C)CNC1CCCC1 270004a_100000211070_100000210432 [1,1,0,1,0,0|1,0,0]=4 43761 B10R1.66 CC(C)CNC1CCCC1 34a_100000210953_100000179811 [1,1,0,1,0,0|1,0,0]=4 43762 B10R1.66 CC(C)CNC1CCCC1 34a_100000211070_100000210624 [1,1,0,1,0,0|1,0,0]=4 43763 B10R1.66 CC(C)COC1CCCC1 34a_100000210257_100000179811 [1,1,0,1,0,0|0,0,0]=3 43764 B10R1.66 CC(C)COC1CCCC1 34a_100000210269_100000210624 [1,1,0,1,0,0|0,0,0]=3 43765 B10R1.66 CC(C)COC1CCCC1 7a_100000210269_100000210760 [1,1,0,1,0,0|0,0,0]=3 43766 B10R1.66 CC(C)COC1CCCO1 34a_100000085407_100000210624 [1,1,0,1,0,0|1,0,0]=4 43767 B10R1.66 CC(C)COC1CCOC1 34a_100000210257_100000690089 [1,1,0,1,0,0|1,0,0]=4 43768 B10R1.66 CC(C)COC1CCSC1 7a_100011232664_100000210760 [1,1,0,1,0,0|1,0,0]=4 43769 B10R1.66 CC(C)CO[C@H]1CCOC1 34a_100000717292_100000210624 [1,1,0,1,0,0|1,0,0]=4 43770 B10R1.66 CC(C)CSC1CCCC1 62a_100000210624_100000179811 [1,1,0,1,0,0|0,1,0]=4 43771 B10R1.66 CC(C)CSC1CCCC1 62a_100011217020_100000210760 [1,1,0,1,0,0|0,1,0]=4 43772 B10R1.66 CC(C)NCC1CCCC1 2230a_100000737975_100000210206 [1,1,0,1,0,0|1,0,0]=4 43773 B10R1.66 CC(C)NCC1CCCC1 2230a_100138425928_100000740388 [1,1,0,1,0,0|1,0,0]=4 43774 B10R1.66 CC(C)NCC1CCCC1 34a_100000737975_100000210206 [1,1,0,1,0,0|1,0,0]=4 43775 B10R1.66 CC(C)NCC1CCCC1 34a_100138425928_100000740388 [1,1,0,1,0,0|1,0,0]=4 43776 B10R1.66 CC(C)NCC1CCCO1 2230a_100138425928_100000203698 [1,1,0,1,0,0|1,0,0]=4 43777 B10R1.66 CC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000210206 [1,1,0,1,0,0|1,0,0]=4 43778 B10R1.66 CC(C)NC[C@@H]1CCCO1 34a_100020590478_100000210206 [1,1,0,1,0,0|1,0,0]=4 43779 B10R1.66 CC(C)OCC1CCCC1 34a_100000212225_100000740388 [1,1,0,1,0,0|1,0,0]=4 43780 B10R1.66 CC(C)OCC1CCCC1 34a_100000742336_100000210206 [1,1,0,1,0,0|1,0,0]=4 43781 B10R1.66 CC(C)OCC1CCCC1 7a_100000742336_100000210206 [1,1,0,1,0,0|1,0,0]=4 43782 B10R1.66 CC(C)OCC1CCCO1 34a_100000210270_100000210206 [1,1,0,1,0,0|1,0,0]=4 43783 B10R1.66 CC(C)OCC1CCCO1 7a_100000210270_100000210206 [1,1,0,1,0,0|1,0,0]=4 43784 B10R1.66 CC(C)SCC1CCCC1 62a_100000210206_100000740388 [1,1,0,1,0,0|1,0,0]=4 43785 B10R1.66 CC(C)SCC1CCCC1 62a_100000740388_100000210206 [1,1,0,1,0,0|1,0,0]=4 43786 B10R1.66 CC(C)SCC1CCCO1 62a_100000203698_100000210206 [1,1,0,1,0,0|1,0,0]=4 43787 B10R1.66 CC(C)SCC1CCCO1 62a_100000210206_100000203698 [1,1,0,1,0,0|1,0,0]=4 43788 B10R1.66 CC(F)COC1CCCC1 34a_100015925927_100000179811 [1,1,0,1,0,0|0,0,0]=3 43789 B10R1.66 CC(F)COC1CCOC1 34a_100015925927_100000690089 [1,1,0,1,0,0|1,0,0]=4 43790 B10R1.66 CC(O)CCN1CCCC1 2230a_100000188435_100012276601 [1,1,0,1,0,0|1,0,0]=4 43791 B10R1.66 CC(O)CCN1CCCC1 269982a_100000188435_100012276601 [1,1,0,1,0,0|1,0,0]=4 43792 B10R1.66 CC(O)CNC1CCCC1 2230a_100000210904_100000179811 [1,1,0,1,0,0|1,0,0]=4 43793 B10R1.66 CC(O)CNC1CCCC1 2230a_100000211070_100011218427 [1,1,0,1,0,0|1,0,0]=4 43794 B10R1.66 CC(O)CNC1CCCC1 270004a_100000210904_100000210133 [1,1,0,1,0,0|1,0,0]=4 43795 B10R1.66 CC(O)CNC1CCCC1 34a_100000210904_100000179811 [1,1,0,1,0,0|1,0,0]=4 43796 B10R1.66 CC(O)CNC1CCCC1 34a_100000211070_100011218427 [1,1,0,1,0,0|1,0,0]=4 43797 B10R1.66 CC(O)COC1CCCC1 34a_100000210269_100011218427 [1,1,0,1,0,0|0,0,0]=3 43798 B10R1.66 CC(O)COC1CCCC1 7a_100000210269_100011218427 [1,1,0,1,0,0|0,0,0]=3 43799 B10R1.66 CC(O)COC1CCCO1 34a_100000085407_100011218427 [1,1,0,1,0,0|1,0,0]=4 43800 B10R1.66 CC(O)COC1CCSC1 7a_100011232664_100011218427 [1,1,0,1,0,0|1,0,0]=4 43801 B10R1.66 CC(O)CO[C@H]1CCOC1 34a_100000717292_100011218427 [1,1,0,1,0,0|1,0,0]=4 43802 B10R1.66 CC(O)CSC1CCCC1 62a_100011217020_100011218427 [1,1,0,1,0,0|0,1,0]=4 43803 B10R1.66 CC(O)CSC1CCCC1 62a_100011218427_100000179811 [1,1,0,1,0,0|0,1,0]=4 43804 B10R1.66 CN(C)CCC1CCCC1 2230a_100102631434_100000760354 [1,1,0,1,0,0|1,0,0]=4 43805 B10R1.66 CN(C)CCC1CCCC1 269982a_100102631434_100000760354 [1,1,0,1,0,0|1,0,0]=4 43806 B10R1.66 C[C@@H](Cl)COC1CCCC1 34a_100016084084_100000179811 [1,1,0,1,0,0|0,0,0]=3 43807 B10R1.66 C[C@@H](Cl)COC1CCOC1 34a_100016084084_100000690089 [1,1,0,1,0,0|1,0,0]=4 43808 B10R1.66 C[C@@H](N)COC1CCCC1 34a_100000737577_100000179811 [1,1,0,1,0,0|0,0,0]=3 43809 B10R1.66 C[C@@H](N)COC1CCOC1 34a_100000737577_100000690089 [1,1,0,1,0,0|1,0,0]=4 43810 B10R1.66 C[C@@H](O)CNC1CCCC1 2230a_100000211070_100009817552 [1,1,0,1,0,0|1,0,0]=4 43811 B10R1.66 C[C@@H](O)CNC1CCCC1 34a_100000211070_100009817552 [1,1,0,1,0,0|1,0,0]=4 43812 B10R1.66 C[C@@H](O)COC1CCCC1 34a_100000210269_100009817552 [1,1,0,1,0,0|0,0,0]=3 43813 B10R1.66 C[C@@H](O)COC1CCCC1 7a_100000210269_100009817552 [1,1,0,1,0,0|0,0,0]=3 43814 B10R1.66 C[C@@H](O)COC1CCCO1 34a_100000085407_100009817552 [1,1,0,1,0,0|1,0,0]=4 43815 B10R1.66 C[C@@H](O)COC1CCSC1 7a_100011232664_100009817552 [1,1,0,1,0,0|1,0,0]=4 43816 B10R1.66 C[C@@H](O)CO[C@H]1CCOC1 34a_100000717292_100009817552 [1,1,0,1,0,0|1,0,0]=4 43817 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100009817552_100000179811 [1,1,0,1,0,0|0,1,0]=4 43818 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100011217020_100009817552 [1,1,0,1,0,0|0,1,0]=4 43819 B10R1.66 FC(F)COC1CCCC1 34a_100000210269_100011934356 [1,1,0,1,0,0|1,0,0]=4 43820 B10R1.66 FC(F)COC1CCCC1 34a_100000743014_100000179811 [1,1,0,1,0,0|1,0,0]=4 43821 B10R1.66 FC(F)COC1CCCC1 7a_100000210269_100011934356 [1,1,0,1,0,0|1,0,0]=4 43822 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [1,1,0,1,0,0|0,0,1]=4 43823 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [1,1,0,1,0,0|0,0,1]=4 43824 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [1,1,0,1,0,0|0,0,1]=4 43825 B10R1.73 C=C(C)COCC1CC1C 34a_100000744939_100000748629 [1,1,0,1,0,0|0,0,1]=4 43826 B10R1.73 C=C(C)COCC1CC1C 7a_100000744939_100000748629 [1,1,0,1,0,0|0,0,1]=4 43827 B10R1.73 CC(C)COCC1CC1C 34a_100000744939_100000210624 [1,1,0,1,0,0|0,0,0]=3 43828 B10R1.73 CC(C)COCC1CC1C 7a_100000744939_100000210760 [1,1,0,1,0,0|0,0,0]=3 43829 B10R1.73 CC(O)COCC1CC1C 34a_100000744939_100011218427 [1,1,0,1,0,0|0,0,0]=3 43830 B10R1.73 CC(O)COCC1CC1C 7a_100000744939_100011218427 [1,1,0,1,0,0|0,0,0]=3 43831 B10R1.73 CC1CC1COCC(F)F 34a_100000744939_100011934356 [1,1,0,1,0,0|1,0,0]=4 43832 B10R1.73 CC1CC1COCC(F)F 7a_100000744939_100011934356 [1,1,0,1,0,0|1,0,0]=4 43833 B10R1.73 CC1CC1COC[C@@H](C)O 34a_100000744939_100009817552 [1,1,0,1,0,0|0,0,0]=3 43834 B10R1.73 CC1CC1COC[C@@H](C)O 7a_100000744939_100009817552 [1,1,0,1,0,0|0,0,0]=3 43835 B10R1.117 CC(C)CCN1CCC1C 269982a_100000755817_100000210312 [1,1,0,1,0,0|1,0,0]=4 43836 B10R1.117 CC(C)CCN1CCC1C 34a_100000755817_100000210312 [1,1,0,1,0,0|1,0,0]=4 43837 B10R1.117 CC(O)CCN1CCC1C 269982a_100000755817_100012276601 [1,1,0,1,0,0|1,0,0]=4 43838 B10R1.117 CC(O)CCN1CCC1C 34a_100000755817_100012276601 [1,1,0,1,0,0|1,0,0]=4 43839 B10R1.126 C=C(C)CCOCC1CC1 34a_100000211283_100000730704 [1,1,0,1,0,0|0,0,1]=4 43840 B10R1.126 C=C(C)CCOCC1CC1 34a_100000764851_100000742324 [1,1,0,1,0,0|0,0,1]=4 43841 B10R1.126 C=C(C)COCCC1CC1 34a_100000210245_100000694398 [1,1,0,1,0,0|0,0,1]=4 43842 B10R1.126 C=C(C)COCCC1CC1 34a_100000754188_100000748629 [1,1,0,1,0,0|0,0,1]=4 43843 B10R1.126 C=C(C)COCCC1CC1 7a_100000754188_100000748629 [1,1,0,1,0,0|0,0,1]=4 43844 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [1,1,0,1,0,0|0,0,1]=4 43845 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [1,1,0,1,0,0|0,0,1]=4 43846 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [1,1,0,1,0,0|0,0,1]=4 43847 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [1,1,0,1,0,0|0,0,1]=4 43848 B10R1.126 CC(Br)CCOCC1CC1 34a_100009893172_100000742324 [1,1,0,1,0,0|0,0,0]=3 43849 B10R1.126 CC(Br)CCOCC1CO1 34a_100009893172_102125554688 [1,1,0,1,0,0|1,0,0]=4 43850 B10R1.126 CC(Br)COCCC1CC1 34a_100012180447_100000694398 [1,1,0,1,0,0|0,0,0]=3 43851 B10R1.126 CC(Br)COCCC1CO1 34a_100012180447_100000732470 [1,1,0,1,0,0|1,0,0]=4 43852 B10R1.126 CC(C)CCCNC1CC1 34a_100000212008_100011214892 [1,1,0,1,0,0|1,0,0]=4 43853 B10R1.126 CC(C)CCCNC1CC1 34a_200000737386_100000211595 [1,1,0,1,0,0|1,0,0]=4 43854 B10R1.126 CC(C)CCCOC1CC1 34a_100000210774_100000211595 [1,1,0,1,0,0|0,0,0]=3 43855 B10R1.126 CC(C)CCCSC1CC1 62a_100011214892_100000211595 [1,1,0,1,0,0|0,1,0]=4 43856 B10R1.126 CC(C)CCNCC1CC1 2230a_100000735609_100000210312 [1,1,0,1,0,0|1,0,0]=4 43857 B10R1.126 CC(C)CCNCC1CC1 269862a_100000210545_100000741477 [1,1,0,1,0,0|1,0,0]=4 43858 B10R1.126 CC(C)CCNCC1CC1 34a_100000735609_100000210312 [1,1,0,1,0,0|1,0,0]=4 43859 B10R1.126 CC(C)CCOCC1CC1 34a_100000210254_100000742324 [1,1,0,1,0,0|0,0,0]=3 43860 B10R1.126 CC(C)CCOCC1CC1 34a_100000211283_100000210312 [1,1,0,1,0,0|0,0,0]=3 43861 B10R1.126 CC(C)CCOCC1CC1 7a_100000210254_100000742324 [1,1,0,1,0,0|0,0,0]=3 43862 B10R1.126 CC(C)CCOCC1CO1 34a_100000210254_102125554688 [1,1,0,1,0,0|1,0,0]=4 43863 B10R1.126 CC(C)CCOCC1CO1 7a_100000210254_102125554688 [1,1,0,1,0,0|1,0,0]=4 43864 B10R1.126 CC(C)CCOCC1CS1 7a_100000210254_100000031435 [1,1,0,1,0,0|1,0,0]=4 43865 B10R1.126 CC(C)CCOC[C@@H]1CO1 34a_100000757423_100000210312 [1,1,0,1,0,0|1,0,0]=4 43866 B10R1.126 CC(C)CCOC[C@@H]1CO1 7a_100000210254_100000745022 [1,1,0,1,0,0|1,0,0]=4 43867 B10R1.126 CC(C)CCSCC1CC1 62a_100000210312_100000742324 [1,1,0,1,0,0|0,1,0]=4 43868 B10R1.126 CC(C)CCSCC1CC1 62a_100000756562_100000210312 [1,1,0,1,0,0|0,1,0]=4 43869 B10R1.126 CC(C)CNCCC1CC1 2230a_100000210953_100000694398 [1,1,0,1,0,0|1,0,0]=4 43870 B10R1.126 CC(C)CNCCC1CC1 270004a_100000764129_100000210432 [1,1,0,1,0,0|1,0,0]=4 43871 B10R1.126 CC(C)CNCCC1CC1 34a_100000210953_100000694398 [1,1,0,1,0,0|1,0,0]=4 43872 B10R1.126 CC(C)CNCCC1CC1 34a_100000764129_100000210624 [1,1,0,1,0,0|1,0,0]=4 43873 B10R1.126 CC(C)COCCC1CC1 34a_100000210257_100000694398 [1,1,0,1,0,0|0,0,0]=3 43874 B10R1.126 CC(C)COCCC1CC1 34a_100000754188_100000210624 [1,1,0,1,0,0|0,0,0]=3 43875 B10R1.126 CC(C)COCCC1CC1 7a_100000754188_100000210760 [1,1,0,1,0,0|0,0,0]=3 43876 B10R1.126 CC(C)COCCC1CO1 34a_100000210257_100000732470 [1,1,0,1,0,0|1,0,0]=4 43877 B10R1.126 CC(C)COCC[C@@H]1CO1 34a_100009820653_100000210624 [1,1,0,1,0,0|1,0,0]=4 43878 B10R1.126 CC(C)CSCCC1CC1 62a_100000210624_100000764125 [1,1,0,1,0,0|0,1,0]=4 43879 B10R1.126 CC(C)CSCCC1CC1 62a_100000764125_100000210760 [1,1,0,1,0,0|0,1,0]=4 43880 B10R1.126 CC(C)NCCOC1CC1 34a_100000224655_100000211595 [1,1,0,1,0,0|1,0,0]=4 43881 B10R1.126 CC(C)OCCOC1CC1 34a_100000211219_100000211595 [1,1,0,1,0,0|1,0,0]=4 43882 B10R1.126 CC(C)OCOCC1CC1 34a_100000211283_100000709892 [1,1,0,1,0,0|1,0,0]=4 43883 B10R1.126 CC(C)SCCOC1CC1 34a_200011212901_100000211595 [1,1,0,1,0,0|1,0,0]=4 43884 B10R1.126 CC(F)COCCC1CC1 34a_100015925927_100000694398 [1,1,0,1,0,0|0,0,0]=3 43885 B10R1.126 CC(F)COCCC1CO1 34a_100015925927_100000732470 [1,1,0,1,0,0|1,0,0]=4 43886 B10R1.126 CC(O)CCCNC1CC1 34a_100000212008_200000718107 [1,1,0,1,0,0|1,0,0]=4 43887 B10R1.126 CC(O)CCCSC1CC1 62a_200000718107_100000211595 [1,1,0,1,0,0|0,1,0]=4 43888 B10R1.126 CC(O)CCNCC1CC1 2230a_100000735609_100012276601 [1,1,0,1,0,0|1,0,0]=4 43889 B10R1.126 CC(O)CCNCC1CC1 2230a_200000755665_100000742324 [1,1,0,1,0,0|1,0,0]=4 43890 B10R1.126 CC(O)CCNCC1CC1 269862a_200000755665_100000741477 [1,1,0,1,0,0|1,0,0]=4 43891 B10R1.126 CC(O)CCNCC1CC1 34a_100000735609_100012276601 [1,1,0,1,0,0|1,0,0]=4 43892 B10R1.126 CC(O)CCOCC1CC1 34a_100000211283_100012276601 [1,1,0,1,0,0|0,0,0]=3 43893 B10R1.126 CC(O)CCOC[C@@H]1CO1 34a_100000757423_100012276601 [1,1,0,1,0,0|1,0,0]=4 43894 B10R1.126 CC(O)CCSCC1CC1 62a_100000756562_100012276601 [1,1,0,1,0,0|0,1,0]=4 43895 B10R1.126 CC(O)CCSCC1CC1 62a_100012276601_100000742324 [1,1,0,1,0,0|0,1,0]=4 43896 B10R1.126 CC(O)CNCCC1CC1 2230a_100000210904_100000694398 [1,1,0,1,0,0|1,0,0]=4 43897 B10R1.126 CC(O)CNCCC1CC1 34a_100000210904_100000694398 [1,1,0,1,0,0|1,0,0]=4 43898 B10R1.126 CC(O)CNCCC1CC1 34a_100000764129_100011218427 [1,1,0,1,0,0|1,0,0]=4 43899 B10R1.126 CC(O)COCCC1CC1 34a_100000754188_100011218427 [1,1,0,1,0,0|0,0,0]=3 43900 B10R1.126 CC(O)COCCC1CC1 7a_100000754188_100011218427 [1,1,0,1,0,0|0,0,0]=3 43901 B10R1.126 CC(O)COCC[C@@H]1CO1 34a_100009820653_100011218427 [1,1,0,1,0,0|1,0,0]=4 43902 B10R1.126 CC(O)CSCCC1CC1 62a_100000764125_100011218427 [1,1,0,1,0,0|0,1,0]=4 43903 B10R1.126 CC(O)CSCCC1CC1 62a_100011218427_100000764125 [1,1,0,1,0,0|0,1,0]=4 43904 B10R1.126 C[C@@H](Cl)COCCC1CC1 34a_100016084084_100000694398 [1,1,0,1,0,0|0,0,0]=3 43905 B10R1.126 C[C@@H](Cl)COCCC1CO1 34a_100016084084_100000732470 [1,1,0,1,0,0|1,0,0]=4 43906 B10R1.126 C[C@@H](N)CCOCC1CC1 34a_100000706166_100000742324 [1,1,0,1,0,0|0,0,0]=3 43907 B10R1.126 C[C@@H](N)CCOCC1CO1 34a_100000706166_102125554688 [1,1,0,1,0,0|1,0,0]=4 43908 B10R1.126 C[C@@H](N)COCCC1CC1 34a_100000737577_100000694398 [1,1,0,1,0,0|0,0,0]=3 43909 B10R1.126 C[C@@H](N)COCCC1CO1 34a_100000737577_100000732470 [1,1,0,1,0,0|1,0,0]=4 43910 B10R1.126 C[C@@H](O)CNCCC1CC1 34a_100000764129_100009817552 [1,1,0,1,0,0|1,0,0]=4 43911 B10R1.126 C[C@@H](O)COCCC1CC1 34a_100000754188_100009817552 [1,1,0,1,0,0|0,0,0]=3 43912 B10R1.126 C[C@@H](O)COCCC1CC1 7a_100000754188_100009817552 [1,1,0,1,0,0|0,0,0]=3 43913 B10R1.126 C[C@@H](O)COCC[C@@H]1CO1 34a_100009820653_100009817552 [1,1,0,1,0,0|1,0,0]=4 43914 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100000764125_100009817552 [1,1,0,1,0,0|0,1,0]=4 43915 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100009817552_100000764125 [1,1,0,1,0,0|0,1,0]=4 43916 B10R1.126 FC(F)CCOCC1CC1 34a_100103093639_100000742324 [1,1,0,1,0,0|1,0,0]=4 43917 B10R1.126 FC(F)COCCC1CC1 34a_100000743014_100000694398 [1,1,0,1,0,0|1,0,0]=4 43918 B10R1.126 FC(F)COCCC1CC1 34a_100000754188_100011934356 [1,1,0,1,0,0|1,0,0]=4 43919 B10R1.126 FC(F)COCCC1CC1 7a_100000754188_100011934356 [1,1,0,1,0,0|1,0,0]=4 43920 B10R1.127 C=C(C)CCOC1CCC1 34a_100000748187_100000730704 [1,1,0,1,0,0|0,0,1]=4 43921 B10R1.127 C=C(C)CCOC1CCC1 34a_100000764851_100000749161 [1,1,0,1,0,0|0,0,1]=4 43922 B10R1.127 C=C(C)COCC1CCC1 34a_100000210245_100000763275 [1,1,0,1,0,0|0,0,1]=4 43923 B10R1.127 C=C(C)COCC1CCC1 34a_100000760304_100000748629 [1,1,0,1,0,0|0,0,1]=4 43924 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [1,1,0,1,0,0|0,0,1]=4 43925 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [1,1,0,1,0,0|0,0,1]=4 43926 B10R1.127 CC(Br)CCOC1CCC1 34a_100009893172_100000749161 [1,1,0,1,0,0|0,0,0]=3 43927 B10R1.127 CC(Br)CCOC1COC1 34a_100009893172_100009818527 [1,1,0,1,0,0|1,0,0]=4 43928 B10R1.127 CC(Br)COCC1CCC1 34a_100012180447_100000763275 [1,1,0,1,0,0|0,0,0]=3 43929 B10R1.127 CC(Br)COCC1CCO1 34a_100012180447_100000103362 [1,1,0,1,0,0|1,0,0]=4 43930 B10R1.127 CC(Br)COCC1COC1 34a_100012180447_100010264016 [1,1,0,1,0,0|1,0,0]=4 43931 B10R1.127 CC(C)CCCN1CCC1 269982a_100000754969_100011214892 [1,1,0,1,0,0|1,0,0]=4 43932 B10R1.127 CC(C)CCNC1CCC1 2230a_100000749019_100000210312 [1,1,0,1,0,0|1,0,0]=4 43933 B10R1.127 CC(C)CCNC1CCC1 269862a_100000749019_100000185833 [1,1,0,1,0,0|1,0,0]=4 43934 B10R1.127 CC(C)CCNC1CCC1 270004a_100000210545_100000241760 [1,1,0,1,0,0|1,0,0]=4 43935 B10R1.127 CC(C)CCNC1CCC1 34a_100000749019_100000210312 [1,1,0,1,0,0|1,0,0]=4 43936 B10R1.127 CC(C)CCOC1CCC1 34a_100000210254_100000749161 [1,1,0,1,0,0|0,0,0]=3 43937 B10R1.127 CC(C)CCOC1CCC1 34a_100000748187_100000210312 [1,1,0,1,0,0|0,0,0]=3 43938 B10R1.127 CC(C)CCOC1COC1 34a_100000210254_100009818527 [1,1,0,1,0,0|1,0,0]=4 43939 B10R1.127 CC(C)CCOC1COC1 7a_100000210254_100009818527 [1,1,0,1,0,0|1,0,0]=4 43940 B10R1.127 CC(C)CCOC1CSC1 7a_100000072292_100000210626 [1,1,0,1,0,0|1,0,0]=4 43941 B10R1.127 CC(C)CCSC1CCC1 62a_100000210312_100000749161 [1,1,0,1,0,0|0,1,0]=4 43942 B10R1.127 CC(C)CNCC1CCC1 2230a_100000210953_100000763275 [1,1,0,1,0,0|1,0,0]=4 43943 B10R1.127 CC(C)CNCC1CCC1 2230a_100000738700_100000210760 [1,1,0,1,0,0|1,0,0]=4 43944 B10R1.127 CC(C)CNCC1CCC1 269862a_100000210953_100000753134 [1,1,0,1,0,0|1,0,0]=4 43945 B10R1.127 CC(C)CNCC1CCC1 270004a_100000738700_100000210432 [1,1,0,1,0,0|1,0,0]=4 43946 B10R1.127 CC(C)CNCC1CCC1 34a_100000210953_100000763275 [1,1,0,1,0,0|1,0,0]=4 43947 B10R1.127 CC(C)CNCC1CCC1 34a_100000738700_100000210624 [1,1,0,1,0,0|1,0,0]=4 43948 B10R1.127 CC(C)COCC1CCC1 34a_100000210257_100000763275 [1,1,0,1,0,0|0,0,0]=3 43949 B10R1.127 CC(C)COCC1CCC1 34a_100000760304_100000210624 [1,1,0,1,0,0|0,0,0]=3 43950 B10R1.127 CC(C)COCC1CCO1 34a_100000039022_100000210624 [1,1,0,1,0,0|1,0,0]=4 43951 B10R1.127 CC(C)COCC1CCO1 34a_100000210257_100000103362 [1,1,0,1,0,0|1,0,0]=4 43952 B10R1.127 CC(C)COCC1CNC1 34a_100016987283_100000210624 [1,1,0,1,0,0|1,0,0]=4 43953 B10R1.127 CC(C)COCC1COC1 34a_100000060846_100000210624 [1,1,0,1,0,0|1,0,0]=4 43954 B10R1.127 CC(C)COCC1COC1 34a_100000210257_100010264016 [1,1,0,1,0,0|1,0,0]=4 43955 B10R1.127 CC(C)CSCC1CCC1 62a_100000210624_100000763275 [1,1,0,1,0,0|0,1,0]=4 43956 B10R1.127 CC(C)CSCC1CCC1 62a_100000763275_100000210760 [1,1,0,1,0,0|0,1,0]=4 43957 B10R1.127 CC(C)OCOC1CCC1 34a_100000748187_100000709892 [1,1,0,1,0,0|1,0,0]=4 43958 B10R1.127 CC(F)COCC1CCC1 34a_100015925927_100000763275 [1,1,0,1,0,0|0,0,0]=3 43959 B10R1.127 CC(F)COCC1CCO1 34a_100015925927_100000103362 [1,1,0,1,0,0|1,0,0]=4 43960 B10R1.127 CC(F)COCC1COC1 34a_100015925927_100010264016 [1,1,0,1,0,0|1,0,0]=4 43961 B10R1.127 CC(O)CCCN1CCC1 269982a_100000754969_200000718107 [1,1,0,1,0,0|1,0,0]=4 43962 B10R1.127 CC(O)CCNC1CCC1 2230a_100000749019_100012276601 [1,1,0,1,0,0|1,0,0]=4 43963 B10R1.127 CC(O)CCNC1CCC1 270004a_200000755665_100000241760 [1,1,0,1,0,0|1,0,0]=4 43964 B10R1.127 CC(O)CCNC1CCC1 34a_100000749019_100012276601 [1,1,0,1,0,0|1,0,0]=4 43965 B10R1.127 CC(O)CCOC1CCC1 34a_100000748187_100012276601 [1,1,0,1,0,0|0,0,0]=3 43966 B10R1.127 CC(O)CCOC1CSC1 7a_100000072292_100012276601 [1,1,0,1,0,0|1,0,0]=4 43967 B10R1.127 CC(O)CCSC1CCC1 62a_100012276601_100000749161 [1,1,0,1,0,0|0,1,0]=4 43968 B10R1.127 CC(O)CNCC1CCC1 2230a_100000210904_100000763275 [1,1,0,1,0,0|1,0,0]=4 43969 B10R1.127 CC(O)CNCC1CCC1 2230a_100000738700_100011218427 [1,1,0,1,0,0|1,0,0]=4 43970 B10R1.127 CC(O)CNCC1CCC1 269862a_100000210904_100000753134 [1,1,0,1,0,0|1,0,0]=4 43971 B10R1.127 CC(O)CNCC1CCC1 34a_100000210904_100000763275 [1,1,0,1,0,0|1,0,0]=4 43972 B10R1.127 CC(O)CNCC1CCC1 34a_100000738700_100011218427 [1,1,0,1,0,0|1,0,0]=4 43973 B10R1.127 CC(O)COCC1CCC1 34a_100000760304_100011218427 [1,1,0,1,0,0|0,0,0]=3 43974 B10R1.127 CC(O)COCC1CCO1 34a_100000039022_100011218427 [1,1,0,1,0,0|1,0,0]=4 43975 B10R1.127 CC(O)COCC1CNC1 34a_100016987283_100011218427 [1,1,0,1,0,0|1,0,0]=4 43976 B10R1.127 CC(O)COCC1COC1 34a_100000060846_100011218427 [1,1,0,1,0,0|1,0,0]=4 43977 B10R1.127 CC(O)CSCC1CCC1 62a_100000763275_100011218427 [1,1,0,1,0,0|0,1,0]=4 43978 B10R1.127 CC(O)CSCC1CCC1 62a_100011218427_100000763275 [1,1,0,1,0,0|0,1,0]=4 43979 B10R1.127 C[C@@H](Cl)COCC1CCC1 34a_100016084084_100000763275 [1,1,0,1,0,0|0,0,0]=3 43980 B10R1.127 C[C@@H](Cl)COCC1CCO1 34a_100016084084_100000103362 [1,1,0,1,0,0|1,0,0]=4 43981 B10R1.127 C[C@@H](Cl)COCC1COC1 34a_100016084084_100010264016 [1,1,0,1,0,0|1,0,0]=4 43982 B10R1.127 C[C@@H](N)CCOC1CCC1 34a_100000706166_100000749161 [1,1,0,1,0,0|0,0,0]=3 43983 B10R1.127 C[C@@H](N)CCOC1COC1 34a_100000706166_100009818527 [1,1,0,1,0,0|1,0,0]=4 43984 B10R1.127 C[C@@H](N)COCC1CCC1 34a_100000737577_100000763275 [1,1,0,1,0,0|0,0,0]=3 43985 B10R1.127 C[C@@H](N)COCC1CCO1 34a_100000737577_100000103362 [1,1,0,1,0,0|1,0,0]=4 43986 B10R1.127 C[C@@H](N)COCC1COC1 34a_100000737577_100010264016 [1,1,0,1,0,0|1,0,0]=4 43987 B10R1.127 C[C@@H](O)CNCC1CCC1 2230a_100000738700_100009817552 [1,1,0,1,0,0|1,0,0]=4 43988 B10R1.127 C[C@@H](O)CNCC1CCC1 34a_100000738700_100009817552 [1,1,0,1,0,0|1,0,0]=4 43989 B10R1.127 C[C@@H](O)COCC1CCC1 34a_100000760304_100009817552 [1,1,0,1,0,0|0,0,0]=3 43990 B10R1.127 C[C@@H](O)COCC1CCO1 34a_100000039022_100009817552 [1,1,0,1,0,0|1,0,0]=4 43991 B10R1.127 C[C@@H](O)COCC1CNC1 34a_100016987283_100009817552 [1,1,0,1,0,0|1,0,0]=4 43992 B10R1.127 C[C@@H](O)COCC1COC1 34a_100000060846_100009817552 [1,1,0,1,0,0|1,0,0]=4 43993 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100000763275_100009817552 [1,1,0,1,0,0|0,1,0]=4 43994 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100009817552_100000763275 [1,1,0,1,0,0|0,1,0]=4 43995 B10R1.127 FC(F)CCOC1CCC1 34a_100103093639_100000749161 [1,1,0,1,0,0|1,0,0]=4 43996 B10R1.127 FC(F)COCC1CCC1 34a_100000743014_100000763275 [1,1,0,1,0,0|1,0,0]=4 43997 B10R1.127 FC(F)COCC1CCC1 34a_100000760304_100011934356 [1,1,0,1,0,0|1,0,0]=4 43998 B10R1.133 CCCN1CCCC1(C)C 2230a_100000761399_100000210303 [1,1,0,1,0,0|1,0,0]=4 43999 B10R1.133 CCCN1CCCC1(C)C 269982a_100000761399_100000210303 [1,1,0,1,0,0|1,0,0]=4 44000 B10R1.133 CCCN1CCCC1(C)C 34a_100000761399_100000210303 [1,1,0,1,0,0|1,0,0]=4 44001 B10R1.133 CCCN1COCC1(C)C 2230a_100000043020_100000210303 [1,1,0,1,0,0|1,0,0]=4 44002 B10R1.133 CCCN1COCC1(C)C 269982a_100000043020_100000210303 [1,1,0,1,0,0|1,0,0]=4 44003 B10R1.133 CCNC1CCCC1(C)C 269862a_100015525214_100000065263 [1,1,0,1,0,0|1,0,0]=4 44004 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210202 [1,1,0,1,0,0|1,0,0]=4 44005 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210202 [1,1,0,1,0,0|1,0,0]=4 44006 B10R1.133 CCOC1CCCC1(C)C 34a_100000726220_100000210202 [1,1,0,1,0,0|1,0,0]=4 44007 B10R1.133 CCOC1CCCC1(C)C 7a_100000726220_100000210202 [1,1,0,1,0,0|1,0,0]=4 44008 B10R1.162 CCN1CCCCC(C1)O 2230a_100025706797_100000210202 [1,1,0,1,0,0|1,0,0]=4 44009 B10R1.162 CCN1CCCCC(C1)O 269982a_100025706797_100000204670 [1,1,0,1,0,0|1,0,0]=4 44010 B10R1.162 CCN1CCOC[C@@H](C1)O 2230a_100016073750_100000210202 [1,1,0,1,0,0|1,0,0]=4 44011 B10R1.162 CCN1CCOC[C@@H](C1)O 269982a_100016073750_100000204670 [1,1,0,1,0,0|1,0,0]=4 44012 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [1,1,0,1,0,0|0,0,1]=4 44013 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [1,1,0,1,0,0|0,0,1]=4 44014 B10R1.348 CC(C)N1CCCCCC1 2230a_100000185865_100000210206 [1,1,0,1,0,0|1,0,0]=4 44015 B10R1.348 CC(C)N1CCCCCC1 269982a_100000185865_100000210206 [1,1,0,1,0,0|1,0,0]=4 44016 B10R1.348 CC(C)N1CCCCCC1 34a_100000185865_100000210206 [1,1,0,1,0,0|1,0,0]=4 44017 B10R1.348 CC(C)N1CCCOCC1 2230a_100000685342_100000210206 [1,1,0,1,0,0|1,0,0]=4 44018 B10R1.348 CC(C)N1CCCOCC1 269982a_100000685342_100000210206 [1,1,0,1,0,0|1,0,0]=4 44019 B10R1.348 CC(C)N1CCCOCC1 34a_100000685342_100000210206 [1,1,0,1,0,0|1,0,0]=4 44020 B10R1.348 CN(C)C1CCCCCC1 2230a_100015185097_200000210301 [1,1,0,1,0,0|1,0,0]=4 44021 B10R1.348 CN(C)C1CCCCCC1 269982a_100015185097_200000210301 [1,1,0,1,0,0|1,0,0]=4 44022 B10R1.348 CN(C)C1CCCCCC1 269982a_100102631434_100011217769 [1,1,0,1,0,0|1,0,0]=4 44023 B10R1.348 CN(C)C1CCCCCC1 270004a_100102631434_100000210131 [1,1,0,1,0,0|1,0,0]=4 44024 B10R1.348 CN(C)C1CCCCCC1 34a_100015185097_200000210301 [1,1,0,1,0,0|1,0,0]=4 44025 B10R1.348 CN([13CH3])C1CCCCCC1 2230a_100015185097_200025704644 [1,1,0,1,0,0|1,0,0]=4 44026 B10R1.348 CN([13CH3])C1CCCCCC1 269982a_100015185097_200025704644 [1,1,0,1,0,0|1,0,0]=4 44027 B10R1.348 CN([13CH3])C1CCCCCC1 34a_100015185097_200025704644 [1,1,0,1,0,0|1,0,0]=4 44028 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [1,1,0,1,0,0|0,0,1]=4 44029 B10R1.375 CC1(CC1COCCF)C 34a_100000728257_100011217306 [1,1,0,1,0,0|1,0,0]=4 44030 B10R1.375 CC1(CC1COCCF)C 7a_100000728257_100011217306 [1,1,0,1,0,0|1,0,0]=4 44031 B10R1.375 CC1(CC1COCCO)C 34a_100000728257_100000211926 [1,1,0,1,0,0|1,0,0]=4 44032 B10R1.375 CC1(CC1COCCO)C 7a_100000728257_100000211926 [1,1,0,1,0,0|1,0,0]=4 44033 B10R1.375 CCCOCC1CC1(C)C 34a_100000728257_100000210303 [1,1,0,1,0,0|0,0,0]=3 44034 B10R1.375 CCCOCC1CC1(C)C 7a_100000728257_100000210303 [1,1,0,1,0,0|0,0,0]=3 44035 B10R1.375 CCCOCC1CC1(F)F 34a_100000056500_100000210303 [1,1,0,1,0,0|1,0,0]=4 44036 B10R1.375 CCCOCC1CC1(F)F 34a_100000210258_100009817841 [1,1,0,1,0,0|1,0,0]=4 44037 B10R1.375 CCCOCC1CC1(F)F 7a_100000056500_100000210303 [1,1,0,1,0,0|1,0,0]=4 44038 B10R1.375 CCCOCC1OC1(C)C 34a_200010283642_100000210303 [1,1,0,1,0,0|1,0,0]=4 44039 B10R1.375 CCCOCC1OC1(C)C 7a_200010283642_100000210303 [1,1,0,1,0,0|1,0,0]=4 44040 B10R1.375 CSCOCC1CC1(C)C 34a_100000728257_100011218213 [1,1,0,1,0,0|1,0,0]=4 44041 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [1,1,0,1,0,0|0,0,1]=4 44042 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [1,1,0,1,0,0|0,0,1]=4 44043 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [1,1,0,1,0,0|0,0,1]=4 44044 B10R1.11 CCCC(C)N1CCCC1 2230a_100000188435_100000766640 [1,1,0,1,0,0|1,0,0]=4 44045 B10R1.11 CCCC(C)N1CCCC1 269982a_100000188435_100000766640 [1,1,0,1,0,0|1,0,0]=4 44046 B10R1.11 CCCC(C)N1CCCC1 270004a_100000188435_100000211909 [1,1,0,1,0,0|1,0,0]=4 44047 B10R1.11 CCCN(C)C1CCCC1 2230a_100000201646_200000210301 [1,1,0,1,0,0|1,0,0]=4 44048 B10R1.11 CCCN(C)C1CCCC1 2230a_100000207505_100000210303 [1,1,0,1,0,0|1,0,0]=4 44049 B10R1.11 CCCN(C)C1CCCC1 2230a_100000747261_100000179811 [1,1,0,1,0,0|1,0,0]=4 44050 B10R1.11 CCCN(C)C1CCCC1 269982a_100000201646_200000210301 [1,1,0,1,0,0|1,0,0]=4 44051 B10R1.11 CCCN(C)C1CCCC1 269982a_100000207505_100000210303 [1,1,0,1,0,0|1,0,0]=4 44052 B10R1.11 CCCN(C)C1CCCC1 269982a_100000747261_100000179811 [1,1,0,1,0,0|1,0,0]=4 44053 B10R1.11 CCCN(C)C1CCCC1 270004a_100000747261_100000210133 [1,1,0,1,0,0|1,0,0]=4 44054 B10R1.11 CCCN(C)C1CCCC1 34a_100000201646_200000210301 [1,1,0,1,0,0|1,0,0]=4 44055 B10R1.11 CCCN(C)C1CCCC1 34a_100000207505_100000210303 [1,1,0,1,0,0|1,0,0]=4 44056 B10R1.11 CCCN([13CH3])C1CCCC1 2230a_100000201646_200025704644 [1,1,0,1,0,0|1,0,0]=4 44057 B10R1.11 CCCN([13CH3])C1CCCC1 269982a_100000201646_200025704644 [1,1,0,1,0,0|1,0,0]=4 44058 B10R1.11 CCCN([13CH3])C1CCCC1 34a_100000201646_200025704644 [1,1,0,1,0,0|1,0,0]=4 44059 B10R1.11 CCNC(C)C1CCCC1 2230a_100015185923_100000210202 [1,1,0,1,0,0|1,0,0]=4 44060 B10R1.11 CCNC(C)C1CCCC1 269862a_100015525214_100000749594 [1,1,0,1,0,0|1,0,0]=4 44061 B10R1.11 CCNC(C)C1CCCC1 270004a_100015525214_100000749594 [1,1,0,1,0,0|1,0,0]=4 44062 B10R1.11 CCNC(C)C1CCCC1 34a_100015185923_100000210202 [1,1,0,1,0,0|1,0,0]=4 44063 B10R1.11 CCNC(C)C1CCCO1 2230a_100025754208_100000210202 [1,1,0,1,0,0|1,0,0]=4 44064 B10R1.11 CCNC(C)C1CCCO1 34a_100025754208_100000210202 [1,1,0,1,0,0|1,0,0]=4 44065 B10R1.11 CCOC(C)C1CCCC1 34a_100011216366_100000210202 [1,1,0,1,0,0|1,0,0]=4 44066 B10R1.11 CCOC(C)C1CCCC1 7a_100011216366_100000210202 [1,1,0,1,0,0|1,0,0]=4 44067 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 34a_100011539931_200025704644 [1,1,0,1,0,0|1,0,0]=4 44068 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 7a_100011539931_200025704644 [1,1,0,1,0,0|1,0,0]=4 44069 B10R1.25 COC1CCC(CC1C)C 34a_100011539931_200000210301 [1,1,0,1,0,0|1,0,0]=4 44070 B10R1.25 COC1CCC(CC1C)C 7a_100011539931_200000210301 [1,1,0,1,0,0|1,0,0]=4 44071 B10R1.96 CCCC1CCC(C1)NC 270004a_106832991635_200012087856 [1,1,0,1,0,0|1,0,0]=4 44072 B10R1.96 CCNC1CCC(C1)CC 270004a_100015525214_100011218773 [1,1,0,1,0,0|1,0,0]=4 44073 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [1,1,0,1,0,0|0,0,1]=4 44074 B10R1.137 CC(CCBr)OC1CCC1 34a_100012276601_100000749161 [1,1,0,1,0,0|1,0,0]=4 44075 B10R1.137 CC(CCO)OC1CCC1 34a_100000748187_100009893172 [1,1,0,1,0,0|1,0,0]=4 44076 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [1,1,0,1,0,0|0,0,1]=4 44077 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [1,1,0,1,0,0|0,0,1]=4 44078 B10R1.137 CCCC(C)CN1CCC1 269982a_100000754969_100011216630 [1,1,0,1,0,0|1,0,0]=4 44079 B10R1.137 CCCC(C)NC1CCC1 2230a_100000749019_100000766640 [1,1,0,1,0,0|1,0,0]=4 44080 B10R1.137 CCCC(C)NC1CCC1 270004a_100000741246_100000241760 [1,1,0,1,0,0|1,0,0]=4 44081 B10R1.137 CCCC(C)NC1CCC1 34a_100000749019_100000766640 [1,1,0,1,0,0|1,0,0]=4 44082 B10R1.137 CCCC(C)OC1CCC1 34a_100000748187_100000766640 [1,1,0,1,0,0|0,0,0]=3 44083 B10R1.137 CCCC(C)OC1CCC1 34a_100000764384_100000749161 [1,1,0,1,0,0|0,0,0]=3 44084 B10R1.137 CCCC(C)OC1COC1 34a_100000764384_100009818527 [1,1,0,1,0,0|1,0,0]=4 44085 B10R1.137 CCCC(C)OC1COC1 7a_100000764384_100009818527 [1,1,0,1,0,0|1,0,0]=4 44086 B10R1.137 CCCC(C)OC1CSC1 7a_100000072292_100000766640 [1,1,0,1,0,0|1,0,0]=4 44087 B10R1.137 CCCC(C)SC1CCC1 62a_100000766640_100000749161 [1,1,0,1,0,0|0,1,0]=4 44088 B10R1.137 CCCN(C)CC1CCC1 2230a_100000747261_100000763275 [1,1,0,1,0,0|1,0,0]=4 44089 B10R1.137 CCCN(C)CC1CCC1 2230a_200000750244_100000210303 [1,1,0,1,0,0|1,0,0]=4 44090 B10R1.137 CCCN(C)CC1CCC1 269982a_100000747261_100000763275 [1,1,0,1,0,0|1,0,0]=4 44091 B10R1.137 CCCN(C)CC1CCC1 269982a_200000750244_100000210303 [1,1,0,1,0,0|1,0,0]=4 44092 B10R1.137 CCCN(C)CC1CCC1 34a_200000750244_100000210303 [1,1,0,1,0,0|1,0,0]=4 44093 B10R1.137 COCC(C)OC1CCC1 34a_100000748187_100000765312 [1,1,0,1,0,0|1,0,0]=4 44094 B10R1.137 COC[C@@H](C)OC1CCC1 34a_100011934205_100000749161 [1,1,0,1,0,0|1,0,0]=4 44095 B10R1.138 CC(CCBr)OCC1CC1 34a_100012276601_100000742324 [1,1,0,1,0,0|1,0,0]=4 44096 B10R1.138 CC(CCN)COC1CC1 34a_106354213184_100000211595 [1,1,0,1,0,0|1,0,0]=4 44097 B10R1.138 CC(CCO)OCC1CC1 34a_100000211283_100009893172 [1,1,0,1,0,0|1,0,0]=4 44098 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [1,1,0,1,0,0|0,0,1]=4 44099 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [1,1,0,1,0,0|0,0,1]=4 44100 B10R1.138 CCCC(C)CNC1CC1 34a_100000212008_100011216630 [1,1,0,1,0,0|1,0,0]=4 44101 B10R1.138 CCCC(C)COC1CC1 34a_100000688023_100000211595 [1,1,0,1,0,0|0,0,0]=3 44102 B10R1.138 CCCC(C)CSC1CC1 62a_100011216630_100000211595 [1,1,0,1,0,0|0,1,0]=4 44103 B10R1.138 CCCC(C)NCC1CC1 2230a_100000735609_100000766640 [1,1,0,1,0,0|1,0,0]=4 44104 B10R1.138 CCCC(C)NCC1CC1 2230a_100000741246_100000742324 [1,1,0,1,0,0|1,0,0]=4 44105 B10R1.138 CCCC(C)NCC1CC1 269862a_100000741246_100000741477 [1,1,0,1,0,0|1,0,0]=4 44106 B10R1.138 CCCC(C)NCC1CC1 270004a_100000735609_100000211909 [1,1,0,1,0,0|1,0,0]=4 44107 B10R1.138 CCCC(C)NCC1CC1 34a_100000735609_100000766640 [1,1,0,1,0,0|1,0,0]=4 44108 B10R1.138 CCCC(C)OCC1CC1 34a_100000211283_100000766640 [1,1,0,1,0,0|0,0,0]=3 44109 B10R1.138 CCCC(C)OCC1CC1 34a_100000764384_100000742324 [1,1,0,1,0,0|0,0,0]=3 44110 B10R1.138 CCCC(C)OCC1CC1 7a_100000764384_100000742324 [1,1,0,1,0,0|0,0,0]=3 44111 B10R1.138 CCCC(C)OCC1CO1 34a_100000764384_102125554688 [1,1,0,1,0,0|1,0,0]=4 44112 B10R1.138 CCCC(C)OCC1CO1 7a_100000764384_102125554688 [1,1,0,1,0,0|1,0,0]=4 44113 B10R1.138 CCCC(C)OCC1CS1 7a_100000764384_100000031435 [1,1,0,1,0,0|1,0,0]=4 44114 B10R1.138 CCCC(C)OC[C@@H]1CO1 34a_100000757423_100000766640 [1,1,0,1,0,0|1,0,0]=4 44115 B10R1.138 CCCC(C)OC[C@@H]1CO1 7a_100000764384_100000745022 [1,1,0,1,0,0|1,0,0]=4 44116 B10R1.138 CCCC(C)SCC1CC1 62a_100000756562_100000766640 [1,1,0,1,0,0|0,1,0]=4 44117 B10R1.138 CCCC(C)SCC1CC1 62a_100000766640_100000742324 [1,1,0,1,0,0|0,1,0]=4 44118 B10R1.138 CCCN(C)CCC1CC1 2230a_100000747261_100000694398 [1,1,0,1,0,0|1,0,0]=4 44119 B10R1.138 CCCN(C)CCC1CC1 269982a_100000747261_100000694398 [1,1,0,1,0,0|1,0,0]=4 44120 B10R1.138 CCC[C@H](N)COC1CC1 34a_100000732646_100000211595 [1,1,0,1,0,0|0,0,0]=3 44121 B10R1.138 COCC(C)OCC1CC1 34a_100000211283_100000765312 [1,1,0,1,0,0|1,0,0]=4 44122 B10R1.138 COCC(N)COC1CC1 34a_100000724102_100000211595 [1,1,0,1,0,0|1,0,0]=4 44123 B10R1.138 COC[C@@H](C)OCC1CC1 34a_100011934205_100000742324 [1,1,0,1,0,0|1,0,0]=4 44124 B10R1.139 CCCC(C)N1CCC1C 269982a_100000755817_100000766640 [1,1,0,1,0,0|1,0,0]=4 44125 B10R1.139 CCCC(C)N1CCC1C 34a_100000755817_100000766640 [1,1,0,1,0,0|1,0,0]=4 44126 B10R1.186 CC(OCCCF)C1CC1 34a_100000744524_100011934791 [1,1,0,1,0,0|1,0,0]=4 44127 B10R1.186 CC(OCCCF)C1CC1 7a_100000744524_100011934791 [1,1,0,1,0,0|1,0,0]=4 44128 B10R1.186 CC(OCCCO)C1CC1 34a_100000744524_100000230001 [1,1,0,1,0,0|1,0,0]=4 44129 B10R1.186 CC(OCCCO)C1CC1 7a_100000744524_100011215043 [1,1,0,1,0,0|1,0,0]=4 44130 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [1,1,0,1,0,0|0,0,1]=4 44131 B10R1.186 CCCCCN(C)C1CC1 2230a_100000226674_100000210326 [1,1,0,1,0,0|1,0,0]=4 44132 B10R1.186 CCCCCN(C)C1CC1 269982a_100000223495_100000211595 [1,1,0,1,0,0|1,0,0]=4 44133 B10R1.186 CCCCCN(C)C1CC1 269982a_100000226674_100000210215 [1,1,0,1,0,0|1,0,0]=4 44134 B10R1.186 CCCCNC(C)C1CC1 2230a_100000700016_100000210211 [1,1,0,1,0,0|1,0,0]=4 44135 B10R1.186 CCCCNC(C)C1CC1 269862a_100000102301_100000210639 [1,1,0,1,0,0|1,0,0]=4 44136 B10R1.186 CCCCNC(C)C1CC1 34a_100000700016_100000210210 [1,1,0,1,0,0|1,0,0]=4 44137 B10R1.186 CCCCOC(C)C1CC1 34a_100000744524_100000210210 [1,1,0,1,0,0|0,0,0]=3 44138 B10R1.186 CCCCOC(C)C1CC1 7a_100000744524_100000210211 [1,1,0,1,0,0|0,0,0]=3 44139 B10R1.186 CCCNCC(O)C1CC1 2230a_100000751198_100000210303 [1,1,0,1,0,0|1,0,0]=4 44140 B10R1.186 CCCNCC(O)C1CC1 34a_100000751198_100000210303 [1,1,0,1,0,0|1,0,0]=4 44141 B10R1.186 CCCOCC(=O)C1CC1 34a_100000210258_100000746382 [1,1,0,1,0,0|0,0,1]=4 44142 B10R1.186 CCCOCC(=O)C1CC1 34a_100000686663_100000210303 [1,1,0,1,0,0|0,0,1]=4 44143 B10R1.186 CCCOC[C@H](N)C1CC1 34a_100020623730_100000210303 [1,1,0,1,0,0|0,0,0]=3 44144 B10R1.186 COCCOC(C)C1CC1 34a_100000744524_100011201679 [1,1,0,1,0,0|1,0,0]=4 44145 B10R1.186 COCCOC(C)C1CC1 7a_100000744524_100000233755 [1,1,0,1,0,0|1,0,0]=4 44146 B10R1.186 CSCCOC(C)C1CC1 34a_100000744524_100000212216 [1,1,0,1,0,0|1,0,0]=4 44147 B10R1.186 CSCCOC(C)C1CC1 7a_100000744524_100000212216 [1,1,0,1,0,0|1,0,0]=4 44148 B10R1.186 CSCOC[C@H](N)C1CC1 34a_100020623730_100011218213 [1,1,0,1,0,0|1,0,0]=4 44149 B10R1.186 N[C@@H](COCCF)C1CC1 34a_100020623730_100011217306 [1,1,0,1,0,0|1,0,0]=4 44150 B10R1.186 N[C@@H](COCCO)C1CC1 34a_100020623730_100000211926 [1,1,0,1,0,0|1,0,0]=4 44151 B10R1.197 CCC1CCCN(CC1)C 2230a_100000757272_200000210301 [1,1,0,1,0,0|1,0,0]=4 44152 B10R1.197 CCC1CCCN(CC1)C 269982a_100000757272_200000210301 [1,1,0,1,0,0|1,0,0]=4 44153 B10R1.197 CCC1CCCN(CC1)C 34a_100000757272_200000210301 [1,1,0,1,0,0|1,0,0]=4 44154 B10R1.197 CCC1CCCN(CC1)[13CH3] 2230a_100000757272_200025704644 [1,1,0,1,0,0|1,0,0]=4 44155 B10R1.197 CCC1CCCN(CC1)[13CH3] 269982a_100000757272_200025704644 [1,1,0,1,0,0|1,0,0]=4 44156 B10R1.197 CCC1CCCN(CC1)[13CH3] 34a_100000757272_200025704644 [1,1,0,1,0,0|1,0,0]=4 44157 B10R1.197 CCN1CCCC(CC1)C 2230a_100025706717_100000210202 [1,1,0,1,0,0|1,0,0]=4 44158 B10R1.197 CCN1CCCC(CC1)C 269982a_100025706717_100000204670 [1,1,0,1,0,0|1,0,0]=4 44159 B10R1.197 CCN1CCCC(CC1)C 34a_100025706717_100000210202 [1,1,0,1,0,0|1,0,0]=4 44160 B10R1.197 CCN1CCCC(CC1)O 2230a_100015186869_100000210202 [1,1,0,1,0,0|1,0,0]=4 44161 B10R1.197 CCN1CCCC(CC1)O 269982a_100015186869_100000204670 [1,1,0,1,0,0|1,0,0]=4 44162 B10R1.245 CC1CCCC(C1O[13CH3])C 34a_100011218088_200025704644 [1,1,0,1,0,0|1,0,0]=4 44163 B10R1.245 CC1CCCC(C1O[13CH3])C 7a_100011218088_200025704644 [1,1,0,1,0,0|1,0,0]=4 44164 B10R1.245 CCN1C(CCCC1C)C 2230a_100000210447_100000210202 [1,1,0,1,0,0|1,0,0]=4 44165 B10R1.245 CCN1C(CCCC1C)C 269982a_100000210447_100000204670 [1,1,0,1,0,0|1,0,0]=4 44166 B10R1.245 CCN1C(CCCC1C)C 34a_100000210447_100000210202 [1,1,0,1,0,0|1,0,0]=4 44167 B10R1.245 CCN1[C@@H](COC[C@@H]1C)C 2230a_100103153222_100000210202 [1,1,0,1,0,0|1,0,0]=4 44168 B10R1.245 CCN1[C@@H](COC[C@@H]1C)C 269982a_100103153222_100000204670 [1,1,0,1,0,0|1,0,0]=4 44169 B10R1.245 CCN1[C@@H](COC[C@@H]1C)C 34a_100103153222_100000210202 [1,1,0,1,0,0|1,0,0]=4 44170 B10R1.245 CNC1C(CCCC1C)C 269862a_106832991636_100000211995 [1,1,0,1,0,0|1,0,0]=4 44171 B10R1.245 COC1C(CCCC1C)C 34a_100011218088_200000210301 [1,1,0,1,0,0|1,0,0]=4 44172 B10R1.245 COC1C(CCCC1C)C 7a_100011218088_200000210301 [1,1,0,1,0,0|1,0,0]=4 44173 B10R1.376 CC1(CCC1)COCCBr 34a_100000211926_100000726658 [1,1,0,1,0,0|1,0,0]=4 44174 B10R1.376 CC1(CCC1)COCCN 34a_100000210304_100000726658 [1,1,0,1,0,0|1,0,0]=4 44175 B10R1.376 CC1(CCC1)OCCCF 34a_100000759064_100011934791 [1,1,0,1,0,0|1,0,0]=4 44176 B10R1.376 CC1(CCC1)OCCCF 7a_100000759064_100011934791 [1,1,0,1,0,0|1,0,0]=4 44177 B10R1.376 CC1(CCC1)OCCCO 34a_100000759064_100000230001 [1,1,0,1,0,0|1,0,0]=4 44178 B10R1.376 CC1(CCC1)OCCCO 7a_100000759064_100011215043 [1,1,0,1,0,0|1,0,0]=4 44179 B10R1.376 CCCCNC1(CCC1)C 2230a_100000692455_100000210211 [1,1,0,1,0,0|1,0,0]=4 44180 B10R1.376 CCCCNC1(CCC1)C 34a_100000692455_100000210210 [1,1,0,1,0,0|1,0,0]=4 44181 B10R1.376 CCCCOC1(CCC1)C 34a_100000759064_100000210210 [1,1,0,1,0,0|0,0,0]=3 44182 B10R1.376 CCCCOC1(CCC1)C 7a_100000759064_100000210211 [1,1,0,1,0,0|0,0,0]=3 44183 B10R1.376 CCCCOC1(CSC1)C 7a_100016018533_100000210211 [1,1,0,1,0,0|1,0,0]=4 44184 B10R1.376 CCCNCC1(CCC1)C 2230a_100000706607_100000210303 [1,1,0,1,0,0|1,0,0]=4 44185 B10R1.376 CCCNCC1(CCC1)O 2230a_100000752638_100000210303 [1,1,0,1,0,0|1,0,0]=4 44186 B10R1.376 CCCOCC1(CCC1)C 34a_100000210258_100000726658 [1,1,0,1,0,0|0,0,0]=3 44187 B10R1.376 CCCOCC1(COC1)C 34a_100000210258_100009817586 [1,1,0,1,0,0|1,0,0]=4 44188 B10R1.376 CCCOCC1(CSC1)C 34a_100000732658_100000210303 [1,1,0,1,0,0|1,0,0]=4 44189 B10R1.376 CCCOCC1(CSC1)C 7a_100000732658_100000210303 [1,1,0,1,0,0|1,0,0]=4 44190 B10R1.376 CCCSCC1(CCC1)C 62a_100000210303_100000726658 [1,1,0,1,0,0|0,1,0]=4 44191 B10R1.376 CCCSCC1(CCC1)C 62a_100000726658_100000210303 [1,1,0,1,0,0|0,1,0]=4 44192 B10R1.376 COCCOC1(CCC1)C 34a_100000759064_100011201679 [1,1,0,1,0,0|1,0,0]=4 44193 B10R1.376 COCCOC1(CCC1)C 7a_100000759064_100000233755 [1,1,0,1,0,0|1,0,0]=4 44194 B10R1.376 CSCCOC1(CCC1)C 34a_100000759064_100000212216 [1,1,0,1,0,0|1,0,0]=4 44195 B10R1.376 CSCCOC1(CCC1)C 7a_100000759064_100000212216 [1,1,0,1,0,0|1,0,0]=4 44196 B10R1.377 CC1(CCCCC1)CN[13CH3] 2230a_100000706052_200025704644 [1,1,0,1,0,0|1,0,0]=4 44197 B10R1.377 CC1(CCCCC1)CN[13CH3] 34a_100000706052_200025704644 [1,1,0,1,0,0|1,0,0]=4 44198 B10R1.377 CC1(CCCCC1)CO[13CH3] 34a_100000688186_200025704644 [1,1,0,1,0,0|1,0,0]=4 44199 B10R1.377 CC1(CCCCC1)CO[13CH3] 7a_100000688186_200025704644 [1,1,0,1,0,0|1,0,0]=4 44200 B10R1.377 CCNC1(CCCCC1)C 2230a_100000741114_100000210202 [1,1,0,1,0,0|1,0,0]=4 44201 B10R1.377 CCNC1(CCCCC1)C 34a_100000741114_100000210202 [1,1,0,1,0,0|1,0,0]=4 44202 B10R1.377 CCOC1(CCCCC1)C 34a_100011215885_100000210202 [1,1,0,1,0,0|1,0,0]=4 44203 B10R1.377 CCOC1(CCCCC1)C 7a_100011215885_100000210202 [1,1,0,1,0,0|1,0,0]=4 44204 B10R1.377 CNCC1(CCCCC1)C 2230a_100000706052_200000210301 [1,1,0,1,0,0|1,0,0]=4 44205 B10R1.377 CNCC1(CCCCC1)C 269862a_106832991636_100011935227 [1,1,0,1,0,0|1,0,0]=4 44206 B10R1.377 CNCC1(CCCCC1)C 34a_100000706052_200000210301 [1,1,0,1,0,0|1,0,0]=4 44207 B10R1.377 CNCC1(CCCCC1)O 2230a_100000748649_200000210301 [1,1,0,1,0,0|1,0,0]=4 44208 B10R1.377 CNCC1(CCCCC1)O 34a_100000748649_200000210301 [1,1,0,1,0,0|1,0,0]=4 44209 B10R1.377 COCC1(CCCCC1)C 34a_100000688186_200000210301 [1,1,0,1,0,0|1,0,0]=4 44210 B10R1.377 COCC1(CCCCC1)C 7a_100000688186_200000210301 [1,1,0,1,0,0|1,0,0]=4 44211 B10R1.377 COCC1(CCCCC1)F 34a_100000090305_200000210301 [1,1,0,1,0,0|1,0,0]=4 44212 B10R1.377 COCC1(CCCCC1)F 7a_100000090305_200000210301 [1,1,0,1,0,0|1,0,0]=4 44213 B10R1.377 COCC1(CCCCC1)N 34a_100000740034_200000210301 [1,1,0,1,0,0|1,0,0]=4 44214 B10R1.377 [13CH3]NCC1(CCCCC1)O 2230a_100000748649_200025704644 [1,1,0,1,0,0|1,0,0]=4 44215 B10R1.377 [13CH3]NCC1(CCCCC1)O 34a_100000748649_200025704644 [1,1,0,1,0,0|1,0,0]=4 44216 B10R1.377 [13CH3]OCC1(CCCCC1)F 34a_100000090305_200025704644 [1,1,0,1,0,0|1,0,0]=4 44217 B10R1.377 [13CH3]OCC1(CCCCC1)F 7a_100000090305_200025704644 [1,1,0,1,0,0|1,0,0]=4 44218 B10R1.377 [13CH3]OCC1(CCCCC1)N 34a_100000740034_200025704644 [1,1,0,1,0,0|1,0,0]=4 44219 B10R1.30 CC1CCC(C(C1)O[13CH3])C 34a_100011217446_200025704644 [1,1,0,1,0,0|1,0,0]=4 44220 B10R1.30 CC1CCC(C(C1)O[13CH3])C 7a_100011217446_200025704644 [1,1,0,1,0,0|1,0,0]=4 44221 B10R1.30 CCN1C[C@H](OC[C@H]1C)C 2230a_100016991869_100000210202 [1,1,0,1,0,0|1,0,0]=4 44222 B10R1.30 CCN1C[C@H](OC[C@H]1C)C 269982a_100016991869_100000204670 [1,1,0,1,0,0|1,0,0]=4 44223 B10R1.30 CCN1C[C@H](OC[C@H]1C)C 34a_100016991869_100000210202 [1,1,0,1,0,0|1,0,0]=4 44224 B10R1.30 CNC1CC(CCC1C)C 269862a_106832991636_100000034887 [1,1,0,1,0,0|1,0,0]=4 44225 B10R1.30 CNC1CC(CCC1C)C 270004a_106832991635_100000034887 [1,1,0,1,0,0|1,0,0]=4 44226 B10R1.30 COC1CC(CCC1C)C 34a_100011217446_200000210301 [1,1,0,1,0,0|1,0,0]=4 44227 B10R1.30 COC1CC(CCC1C)C 7a_100011217446_200000210301 [1,1,0,1,0,0|1,0,0]=4 44228 B10R1.143 CCCCN1CC(C1)CC 2230a_100015205115_100000210211 [1,1,0,1,0,0|1,0,0]=4 44229 B10R1.143 CCCCN1CC(C1)CC 269982a_100015205115_100000210211 [1,1,0,1,0,0|1,0,0]=4 44230 B10R1.143 CCCOC1CN(C1)CC 269982a_200020626125_100000204670 [1,1,0,1,0,0|1,0,0]=4 44231 B10R1.143 CCCOC1CN(C1)CC 34a_200020626125_100000210202 [1,1,0,1,0,0|1,0,0]=4 44232 B10R1.178 CC(OCCF)C1CCC1 34a_100000766398_100011217306 [1,1,0,1,0,0|1,0,0]=4 44233 B10R1.178 CC(OCCF)C1CCC1 7a_100000766398_100011217306 [1,1,0,1,0,0|1,0,0]=4 44234 B10R1.178 CC(OCCO)C1CCC1 34a_100000766398_100000211926 [1,1,0,1,0,0|1,0,0]=4 44235 B10R1.178 CC(OCCO)C1CCC1 7a_100000766398_100000211926 [1,1,0,1,0,0|1,0,0]=4 44236 B10R1.178 CCCCC(=O)C1CCC1 1458a_100000209988_100000210211 [1,1,0,1,0,0|0,0,1]=4 44237 B10R1.178 CCCCC(=O)C1CCC1 1458a_100000210183_100000749161 [1,1,0,1,0,0|0,0,1]=4 44238 B10R1.178 CCCCC(C)N1CCC1 269982a_100000754969_200011215066 [1,1,0,1,0,0|1,0,0]=4 44239 B10R1.178 CCCCN(C)C1CCC1 2230a_100000758072_100000210211 [1,1,0,1,0,0|1,0,0]=4 44240 B10R1.178 CCCCN(C)C1CCC1 269982a_100000207549_100000749161 [1,1,0,1,0,0|1,0,0]=4 44241 B10R1.178 CCCCN(C)C1CCC1 269982a_100000758072_100000210211 [1,1,0,1,0,0|1,0,0]=4 44242 B10R1.178 CCCCN(C)C1CCC1 270004a_100000207549_100000241760 [1,1,0,1,0,0|1,0,0]=4 44243 B10R1.178 CCCCN(C)C1CCC1 34a_100000758072_100000210210 [1,1,0,1,0,0|1,0,0]=4 44244 B10R1.178 CCCNC(C)C1CCC1 2230a_100016994624_100000210303 [1,1,0,1,0,0|1,0,0]=4 44245 B10R1.178 CCCNC(C)C1CCC1 269862a_100020643023_100000760154 [1,1,0,1,0,0|1,0,0]=4 44246 B10R1.178 CCCNC(C)C1CCC1 34a_100016994624_100000210303 [1,1,0,1,0,0|1,0,0]=4 44247 B10R1.178 CCCOC(C)C1CCC1 34a_100000766398_100000210303 [1,1,0,1,0,0|0,0,0]=3 44248 B10R1.178 CCCOC(C)C1CCC1 7a_100000766398_100000210303 [1,1,0,1,0,0|0,0,0]=3 44249 B10R1.178 CSCOC(C)C1CCC1 34a_100000766398_100011218213 [1,1,0,1,0,0|1,0,0]=4 44250 B10R1.180 CC(CCCCl)OC1CC1 34a_200000718107_100000211595 [1,1,0,1,0,0|1,0,0]=4 44251 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000210183_100000742324 [1,1,0,1,0,0|0,0,1]=4 44252 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000738066_100000210211 [1,1,0,1,0,0|0,0,1]=4 44253 B10R1.180 CCCCC(C)NC1CC1 34a_100000212008_200011215066 [1,1,0,1,0,0|1,0,0]=4 44254 B10R1.180 CCCCC(C)OC1CC1 34a_100000687866_100000211595 [1,1,0,1,0,0|0,0,0]=3 44255 B10R1.180 CCCCC(C)SC1CC1 62a_200011215066_100000211595 [1,1,0,1,0,0|0,1,0]=4 44256 B10R1.180 CCCCN(C)CC1CC1 2230a_100000207549_100000742324 [1,1,0,1,0,0|1,0,0]=4 44257 B10R1.180 CCCCN(C)CC1CC1 2230a_100000741881_100000210211 [1,1,0,1,0,0|1,0,0]=4 44258 B10R1.180 CCCCN(C)CC1CC1 269982a_100000207549_100000756562 [1,1,0,1,0,0|1,0,0]=4 44259 B10R1.180 CCCCN(C)CC1CC1 269982a_100000741881_100000210211 [1,1,0,1,0,0|1,0,0]=4 44260 B10R1.180 CCCNC(C)CC1CC1 270004a_100020643023_200000686933 [1,1,0,1,0,0|1,0,0]=4 44261 B10R1.180 CCOCC(C)OC1CC1 34a_100000718985_100000211595 [1,1,0,1,0,0|1,0,0]=4 44262 B10R1.187 CCCN1C(CCC1C)C 2230a_100000687148_100000210303 [1,1,0,1,0,0|1,0,0]=4 44263 B10R1.187 CCCN1C(CCC1C)C 269982a_100000687148_100000210303 [1,1,0,1,0,0|1,0,0]=4 44264 B10R1.187 CCCN1C(CCC1C)C 34a_100000687148_100000210303 [1,1,0,1,0,0|1,0,0]=4 44265 B10R1.216 CC1(CCCC1)OCCF 34a_100000751722_100011217306 [1,1,0,1,0,0|1,0,0]=4 44266 B10R1.216 CC1(CCCC1)OCCF 7a_100000751722_100011217306 [1,1,0,1,0,0|1,0,0]=4 44267 B10R1.216 CC1(CCCC1)OCCO 34a_100000751722_100000211926 [1,1,0,1,0,0|1,0,0]=4 44268 B10R1.216 CC1(CCCC1)OCCO 7a_100000751722_100000211926 [1,1,0,1,0,0|1,0,0]=4 44269 B10R1.216 CCCOC1(CCCC1)C 34a_100000751722_100000210303 [1,1,0,1,0,0|0,0,0]=3 44270 B10R1.216 CCCOC1(CCCC1)C 7a_100000751722_100000210303 [1,1,0,1,0,0|0,0,0]=3 44271 B10R1.216 CCNCC1(CCCC1)O 2230a_100000737848_100000210202 [1,1,0,1,0,0|1,0,0]=4 44272 B10R1.216 CCOCC1(CCCC1)N 34a_100000749328_100000210202 [1,1,0,1,0,0|1,0,0]=4 44273 B10R1.216 CNCCC1(CCCC1)O 34a_100000719956_200000210301 [1,1,0,1,0,0|1,0,0]=4 44274 B10R1.216 CSCOC1(CCCC1)C 34a_100000751722_100011218213 [1,1,0,1,0,0|1,0,0]=4 44275 B10R1.216 [13CH3]NCCC1(CCCC1)O 34a_100000719956_200025704644 [1,1,0,1,0,0|1,0,0]=4 44276 B10R1.293 CCCCC(=O)C1CC1C 1458a_100000211227_100000210211 [1,1,0,1,0,0|0,0,1]=4 44277 B10R1.1 CC1CCC(CC1)CN[13CH3] 2230a_103436935547_200025704644 [1,1,0,1,0,0|1,0,0]=4 44278 B10R1.1 CC1CCC(CC1)CN[13CH3] 34a_103436935547_200025704644 [1,1,0,1,0,0|1,0,0]=4 44279 B10R1.1 CC1CCC(CC1)CO[13CH3] 34a_100000701341_200025704644 [1,1,0,1,0,0|1,0,0]=4 44280 B10R1.1 CCCC1CCN(CC1)C 2230a_100015355601_200000210301 [1,1,0,1,0,0|1,0,0]=4 44281 B10R1.1 CCCC1CCN(CC1)C 269982a_100015355601_200000210301 [1,1,0,1,0,0|1,0,0]=4 44282 B10R1.1 CCCC1CCN(CC1)C 34a_100015355601_200000210301 [1,1,0,1,0,0|1,0,0]=4 44283 B10R1.1 CCCC1CCN(CC1)[13CH3] 2230a_100015355601_200025704644 [1,1,0,1,0,0|1,0,0]=4 44284 B10R1.1 CCCC1CCN(CC1)[13CH3] 269982a_100015355601_200025704644 [1,1,0,1,0,0|1,0,0]=4 44285 B10R1.1 CCCC1CCN(CC1)[13CH3] 34a_100015355601_200025704644 [1,1,0,1,0,0|1,0,0]=4 44286 B10R1.1 CCCN1CCC(CC1)C 2230a_100000188429_100000210303 [1,1,0,1,0,0|1,0,0]=4 44287 B10R1.1 CCCN1CCC(CC1)C 269982a_100000188429_100000210303 [1,1,0,1,0,0|1,0,0]=4 44288 B10R1.1 CCCN1CCC(CC1)C 34a_100000188429_100000210303 [1,1,0,1,0,0|1,0,0]=4 44289 B10R1.1 CCCN1CCC(CC1)F 2230a_100015193889_100000210303 [1,1,0,1,0,0|1,0,0]=4 44290 B10R1.1 CCCN1CCC(CC1)F 269982a_100015193889_100000210303 [1,1,0,1,0,0|1,0,0]=4 44291 B10R1.1 CCCN1CCC(CC1)F 34a_100015193889_100000210303 [1,1,0,1,0,0|1,0,0]=4 44292 B10R1.1 CCCN1CCC(CC1)O 2230a_100025773856_100000210303 [1,1,0,1,0,0|1,0,0]=4 44293 B10R1.1 CCCN1CCC(CC1)O 269982a_100025773856_100000210303 [1,1,0,1,0,0|1,0,0]=4 44294 B10R1.1 CCNC1CCC(CC1)C 270004a_100015525214_100000185489 [1,1,0,1,0,0|1,0,0]=4 44295 B10R1.1 CCNC1CCC(CC1)O 270004a_100015525214_100000764474 [1,1,0,1,0,0|1,0,0]=4 44296 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210202 [1,1,0,1,0,0|1,0,0]=4 44297 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210202 [1,1,0,1,0,0|1,0,0]=4 44298 B10R1.1 CCOC1CCC(CC1)C 34a_100000210714_100000210202 [1,1,0,1,0,0|1,0,0]=4 44299 B10R1.1 CCOC1CCC(CC1)C 34a_100121572206_200011216234 [1,1,0,1,0,0|1,0,0]=4 44300 B10R1.1 CCOC1CCC(CC1)C 7a_100000210714_100000210202 [1,1,0,1,0,0|1,0,0]=4 44301 B10R1.1 CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210202 [1,1,0,1,0,0|1,0,0]=4 44302 B10R1.1 CCSC1CCC(CC1)C 62a_100000210202_200011216234 [1,1,0,1,0,0|1,0,0]=4 44303 B10R1.1 CNCC1CCC(CC1)C 2230a_103436935547_200000210301 [1,1,0,1,0,0|1,0,0]=4 44304 B10R1.1 CNCC1CCC(CC1)C 34a_103436935547_200000210301 [1,1,0,1,0,0|1,0,0]=4 44305 B10R1.1 COCC1CCC(CC1)C 34a_100000701341_200000210301 [1,1,0,1,0,0|1,0,0]=4 44306 B10R1.1 COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200000210301 [1,1,0,1,0,0|1,0,0]=4 44307 B10R1.1 [13CH3]OC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200025704644 [1,1,0,1,0,0|1,0,0]=4 44308 B10R1.2 CC1CCCC(C1C)N[13CH3] 2230a_100000211273_200025704644 [1,1,0,1,0,0|1,0,0]=4 44309 B10R1.2 CC1CCCC(C1C)N[13CH3] 34a_100000211273_200025704644 [1,1,0,1,0,0|1,0,0]=4 44310 B10R1.2 CC1CCCC(C1C)O[13CH3] 34a_100011217532_200025704644 [1,1,0,1,0,0|1,0,0]=4 44311 B10R1.2 CC1CCCC(C1C)O[13CH3] 7a_100011217532_200025704644 [1,1,0,1,0,0|1,0,0]=4 44312 B10R1.2 CNC1CCCC(C1C)C 2230a_100000211273_200000210301 [1,1,0,1,0,0|1,0,0]=4 44313 B10R1.2 CNC1CCCC(C1C)C 34a_100000211273_200000210301 [1,1,0,1,0,0|1,0,0]=4 44314 B10R1.2 COC1CCCC(C1C)C 34a_100011217532_200000210301 [1,1,0,1,0,0|1,0,0]=4 44315 B10R1.2 COC1CCCC(C1C)C 7a_100011217532_200000210301 [1,1,0,1,0,0|1,0,0]=4 44316 B10R1.15 CC(O[13CH3])C1CCCCC1 34a_100011216961_200025704644 [1,1,0,1,0,0|1,0,0]=4 44317 B10R1.15 CC(O[13CH3])C1CCCCC1 7a_100011216961_200025704644 [1,1,0,1,0,0|1,0,0]=4 44318 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [1,1,0,1,0,0|0,0,1]=4 44319 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [1,1,0,1,0,0|0,0,1]=4 44320 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [1,1,0,1,0,0|0,0,1]=4 44321 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [1,1,0,1,0,0|0,0,1]=4 44322 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [1,1,0,1,0,0|0,0,1]=4 44323 B10R1.15 CCC(C)N1CCCOC1 2230a_100000131196_100000758301 [1,1,0,1,0,0|1,0,0]=4 44324 B10R1.15 CCC(C)N1CCCOC1 269982a_100000131196_100000758301 [1,1,0,1,0,0|1,0,0]=4 44325 B10R1.15 CCC(C)N1CCCOC1 34a_100000131196_100011215416 [1,1,0,1,0,0|1,0,0]=4 44326 B10R1.15 CCN(C)C1CCCCC1 2230a_100000201195_200000210301 [1,1,0,1,0,0|1,0,0]=4 44327 B10R1.15 CCN(C)C1CCCCC1 2230a_100000207522_100000210202 [1,1,0,1,0,0|1,0,0]=4 44328 B10R1.15 CCN(C)C1CCCCC1 269982a_100000201195_200000210301 [1,1,0,1,0,0|1,0,0]=4 44329 B10R1.15 CCN(C)C1CCCCC1 269982a_100000207522_100000204670 [1,1,0,1,0,0|1,0,0]=4 44330 B10R1.15 CCN(C)C1CCCCC1 269982a_100000225621_100000210327 [1,1,0,1,0,0|1,0,0]=4 44331 B10R1.15 CCN(C)C1CCCCC1 34a_100000201195_200000210301 [1,1,0,1,0,0|1,0,0]=4 44332 B10R1.15 CCN(C)C1CCCCC1 34a_100000207522_100000210202 [1,1,0,1,0,0|1,0,0]=4 44333 B10R1.15 CCN(C)C1CCCOC1 269982a_100000225621_100000693364 [1,1,0,1,0,0|1,0,0]=4 44334 B10R1.15 CCN([13CH3])C1CCCCC1 2230a_100000201195_200025704644 [1,1,0,1,0,0|1,0,0]=4 44335 B10R1.15 CCN([13CH3])C1CCCCC1 269982a_100000201195_200025704644 [1,1,0,1,0,0|1,0,0]=4 44336 B10R1.15 CCN([13CH3])C1CCCCC1 34a_100000201195_200025704644 [1,1,0,1,0,0|1,0,0]=4 44337 B10R1.15 CNC(C)C1CCCCC1 269862a_106832991636_100000210989 [1,1,0,1,0,0|1,0,0]=4 44338 B10R1.15 CN[C@H](C)C1CCCCC1 2230a_100025707633_200000210301 [1,1,0,1,0,0|1,0,0]=4 44339 B10R1.15 CN[C@H](C)C1CCCCC1 34a_100025707633_200000210301 [1,1,0,1,0,0|1,0,0]=4 44340 B10R1.15 COC(C)C1CCCCC1 34a_100011216961_200000210301 [1,1,0,1,0,0|1,0,0]=4 44341 B10R1.15 COC(C)C1CCCCC1 7a_100011216961_200000210301 [1,1,0,1,0,0|1,0,0]=4 44342 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 2230a_100025707633_200025704644 [1,1,0,1,0,0|1,0,0]=4 44343 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 34a_100025707633_200025704644 [1,1,0,1,0,0|1,0,0]=4 44344 B10R1.27 CC(CF)OC1CCCC1 34a_100016041109_100000179811 [1,1,0,1,0,0|1,0,0]=4 44345 B10R1.27 CC(CF)OC1CCCC1 7a_100016041109_100000179811 [1,1,0,1,0,0|1,0,0]=4 44346 B10R1.27 CC(CN)OC1CCCC1 34a_100000210904_100000179811 [1,1,0,1,0,0|1,0,0]=4 44347 B10R1.27 CC(CO)OC1CCCC1 34a_100000210269_100012180447 [1,1,0,1,0,0|1,0,0]=4 44348 B10R1.27 CC(CO)OC1CCCC1 7a_100000210269_100012180447 [1,1,0,1,0,0|1,0,0]=4 44349 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [1,1,0,1,0,0|0,0,1]=4 44350 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [1,1,0,1,0,0|0,0,1]=4 44351 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [1,1,0,1,0,0|0,0,1]=4 44352 B10R1.27 CCC(C)CN1CCCC1 2230a_100000188435_100000748023 [1,1,0,1,0,0|1,0,0]=4 44353 B10R1.27 CCC(C)CN1CCCC1 269982a_100000188435_100000748023 [1,1,0,1,0,0|1,0,0]=4 44354 B10R1.27 CCC(C)CN1CCCC1 270004a_100000188435_100000243153 [1,1,0,1,0,0|1,0,0]=4 44355 B10R1.27 CCC(C)NC1CCCC1 2230a_100000209981_100000179811 [1,1,0,1,0,0|1,0,0]=4 44356 B10R1.27 CCC(C)NC1CCCC1 2230a_100000211070_100000758301 [1,1,0,1,0,0|1,0,0]=4 44357 B10R1.27 CCC(C)NC1CCCC1 270004a_100000209981_100000210133 [1,1,0,1,0,0|1,0,0]=4 44358 B10R1.27 CCC(C)NC1CCCC1 34a_100000211070_100011215416 [1,1,0,1,0,0|1,0,0]=4 44359 B10R1.27 CCC(C)OC1CCCC1 34a_100000210269_100011215416 [1,1,0,1,0,0|0,0,0]=3 44360 B10R1.27 CCC(C)OC1CCCC1 7a_100000210228_100000179811 [1,1,0,1,0,0|0,0,0]=3 44361 B10R1.27 CCC(C)OC1CCCC1 7a_100000210269_100000758301 [1,1,0,1,0,0|0,0,0]=3 44362 B10R1.27 CCC(C)OC1CCCO1 34a_100000085407_100011215416 [1,1,0,1,0,0|1,0,0]=4 44363 B10R1.27 CCC(C)OC1CCOC1 7a_100000210228_100000731011 [1,1,0,1,0,0|1,0,0]=4 44364 B10R1.27 CCC(C)OC1CCSC1 7a_100011232664_100000758301 [1,1,0,1,0,0|1,0,0]=4 44365 B10R1.27 CCC(C)O[C@H]1CCOC1 34a_100000717292_100011215416 [1,1,0,1,0,0|1,0,0]=4 44366 B10R1.27 CCC(C)SC1CCCC1 62a_100000758301_100000179811 [1,1,0,1,0,0|0,1,0]=4 44367 B10R1.27 CCC(C)SC1CCCC1 62a_100011217020_100000758301 [1,1,0,1,0,0|0,1,0]=4 44368 B10R1.27 CCC(O)CN1CCCC1 2230a_100000188435_100011218378 [1,1,0,1,0,0|1,0,0]=4 44369 B10R1.27 CCC(O)CN1CCCC1 269982a_100000188435_100011218378 [1,1,0,1,0,0|1,0,0]=4 44370 B10R1.27 CCN(C)CC1CCCC1 2230a_100000225621_100000740388 [1,1,0,1,0,0|1,0,0]=4 44371 B10R1.27 CCN(C)CC1CCCC1 269982a_100000225621_100000740388 [1,1,0,1,0,0|1,0,0]=4 44372 B10R1.27 CCN(C)CC1CCCO1 2230a_100000186375_200000210301 [1,1,0,1,0,0|1,0,0]=4 44373 B10R1.27 CCN(C)CC1CCCO1 2230a_100000225621_100000203698 [1,1,0,1,0,0|1,0,0]=4 44374 B10R1.27 CCN(C)CC1CCCO1 2230a_100102946541_100000210202 [1,1,0,1,0,0|1,0,0]=4 44375 B10R1.27 CCN(C)CC1CCCO1 269982a_100000186375_200000210301 [1,1,0,1,0,0|1,0,0]=4 44376 B10R1.27 CCN(C)CC1CCCO1 269982a_100000225621_100000183445 [1,1,0,1,0,0|1,0,0]=4 44377 B10R1.27 CCN(C)CC1CCCO1 269982a_100102946541_100000204670 [1,1,0,1,0,0|1,0,0]=4 44378 B10R1.27 CCN(C)CC1CCCO1 34a_100000186375_200000210301 [1,1,0,1,0,0|1,0,0]=4 44379 B10R1.27 CCN(C)CC1CCCO1 34a_100102946541_100000210202 [1,1,0,1,0,0|1,0,0]=4 44380 B10R1.27 CCN([13CH3])CC1CCCO1 2230a_100000186375_200025704644 [1,1,0,1,0,0|1,0,0]=4 44381 B10R1.27 CCN([13CH3])CC1CCCO1 269982a_100000186375_200025704644 [1,1,0,1,0,0|1,0,0]=4 44382 B10R1.27 CCN([13CH3])CC1CCCO1 34a_100000186375_200025704644 [1,1,0,1,0,0|1,0,0]=4 44383 B10R1.27 CC[C@H](C)CN1CCCC1 2230a_100000188435_100009816398 [1,1,0,1,0,0|1,0,0]=4 44384 B10R1.27 CC[C@H](C)CN1CCCC1 269982a_100000188435_100009816398 [1,1,0,1,0,0|1,0,0]=4 44385 B10R1.27 CNC(C)CC1CCCC1 270004a_106832991635_100000692464 [1,1,0,1,0,0|1,0,0]=4 44386 B10R1.70 CC1(CC1)COCCCF 7a_100000698024_100011934791 [1,1,0,1,0,0|1,0,0]=4 44387 B10R1.70 CC1(CC1)COCCCO 7a_100000698024_100011215043 [1,1,0,1,0,0|1,0,0]=4 44388 B10R1.70 CC1(CC1)OCCCCF 7a_100011725673_100000729493 [1,1,0,1,0,0|1,0,0]=4 44389 B10R1.70 CC1(CC1)OCCCCO 7a_100011725673_100000210776 [1,1,0,1,0,0|1,0,0]=4 44390 B10R1.70 CCCCCNC1(CC1)C 2230a_100000757604_100000210326 [1,1,0,1,0,0|1,0,0]=4 44391 B10R1.70 CCCCCOC1(CC1)C 7a_100011725673_100000210326 [1,1,0,1,0,0|0,0,0]=3 44392 B10R1.70 CCCCNCC1(CC1)C 2230a_100000766693_100000210211 [1,1,0,1,0,0|1,0,0]=4 44393 B10R1.70 CCCCNCC1(CC1)O 2230a_100011936951_100000210211 [1,1,0,1,0,0|1,0,0]=4 44394 B10R1.70 CCCCOCC1(CC1)C 7a_100000698024_100000210211 [1,1,0,1,0,0|0,0,0]=3 44395 B10R1.70 CCCCOCC1(CC1)F 34a_200000703853_100000210210 [1,1,0,1,0,0|0,0,0]=3 44396 B10R1.70 CCCCOCC1(CC1)F 7a_200000703853_100000210211 [1,1,0,1,0,0|0,0,0]=3 44397 B10R1.70 CCCCOCC1(CO1)C 34a_100000210227_100000760498 [1,1,0,1,0,0|1,0,0]=4 44398 B10R1.70 CCOCCOC1(CC1)C 7a_100011725673_100011215890 [1,1,0,1,0,0|1,0,0]=4 44399 B10R1.70 CCSCCOC1(CC1)C 7a_100011725673_100000757381 [1,1,0,1,0,0|1,0,0]=4 44400 B10R1.70 COCCCOC1(CC1)C 7a_100011725673_100000740836 [1,1,0,1,0,0|1,0,0]=4 44401 B10R1.70 COCCOCC1(CC1)C 7a_100000698024_100000233755 [1,1,0,1,0,0|1,0,0]=4 44402 B10R1.70 COCCOCC1(CC1)F 34a_200000703853_100011201679 [1,1,0,1,0,0|1,0,0]=4 44403 B10R1.70 COCCOCC1(CC1)F 7a_200000703853_100000233755 [1,1,0,1,0,0|1,0,0]=4 44404 B10R1.70 CSCCOCC1(CC1)C 7a_100000698024_100000212216 [1,1,0,1,0,0|1,0,0]=4 44405 B10R1.70 CSCCOCC1(CC1)F 34a_200000703853_100000212216 [1,1,0,1,0,0|1,0,0]=4 44406 B10R1.70 CSCCOCC1(CC1)F 7a_200000703853_100000212216 [1,1,0,1,0,0|1,0,0]=4 44407 B10R1.70 FCCCOCC1(CC1)F 34a_200000703853_100011934791 [1,1,0,1,0,0|1,0,0]=4 44408 B10R1.70 FCCCOCC1(CC1)F 7a_200000703853_100011934791 [1,1,0,1,0,0|1,0,0]=4 44409 B10R1.70 OCCCOCC1(CC1)F 34a_200000703853_100000230001 [1,1,0,1,0,0|1,0,0]=4 44410 B10R1.70 OCCCOCC1(CC1)F 7a_200000703853_100011215043 [1,1,0,1,0,0|1,0,0]=4 44411 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [1,1,0,1,0,0|0,0,1]=4 44412 B10R1.149 CCC(C)N1CCC[C@@H]1C 2230a_100020605311_100000758301 [1,1,0,1,0,0|1,0,0]=4 44413 B10R1.149 CCC(C)N1CCC[C@@H]1C 269982a_100020605311_100000758301 [1,1,0,1,0,0|1,0,0]=4 44414 B10R1.149 CCC(C)N1CCC[C@H]1C 2230a_100015189458_100000758301 [1,1,0,1,0,0|1,0,0]=4 44415 B10R1.149 CCC(C)N1CCC[C@H]1C 269982a_100015189458_100000758301 [1,1,0,1,0,0|1,0,0]=4 44416 B10R1.149 CCC(C)N1CCC[C@H]1C 34a_100015189458_100011215416 [1,1,0,1,0,0|1,0,0]=4 44417 B10R1.151 CC(CF)OCC1CCC1 34a_100016041109_100000763275 [1,1,0,1,0,0|1,0,0]=4 44418 B10R1.151 CC(CF)OCC1CCC1 7a_100016041109_100000763275 [1,1,0,1,0,0|1,0,0]=4 44419 B10R1.151 CC(CN)COC1CCC1 34a_100000744482_100000749161 [1,1,0,1,0,0|1,0,0]=4 44420 B10R1.151 CC(CN)OCC1CCC1 34a_100000210904_100000763275 [1,1,0,1,0,0|1,0,0]=4 44421 B10R1.151 CC(CO)OCC1CCC1 34a_100000760304_100012180447 [1,1,0,1,0,0|1,0,0]=4 44422 B10R1.151 CCC(=O)COC1CCC1 34a_100000725409_100000749161 [1,1,0,1,0,0|0,0,1]=4 44423 B10R1.151 CCC(C)CNC1CCC1 2230a_100000749019_100000748023 [1,1,0,1,0,0|1,0,0]=4 44424 B10R1.151 CCC(C)CNC1CCC1 270004a_100020588543_100000241760 [1,1,0,1,0,0|1,0,0]=4 44425 B10R1.151 CCC(C)CNC1CCC1 34a_100000749019_100000748023 [1,1,0,1,0,0|1,0,0]=4 44426 B10R1.151 CCC(C)COC1CCC1 34a_100000748187_100000748023 [1,1,0,1,0,0|0,0,0]=3 44427 B10R1.151 CCC(C)COC1CSC1 7a_100000072292_100000748023 [1,1,0,1,0,0|1,0,0]=4 44428 B10R1.151 CCC(C)CSC1CCC1 62a_100000748023_100000749161 [1,1,0,1,0,0|0,1,0]=4 44429 B10R1.151 CCC(C)NCC1CCC1 2230a_100000209981_100000763275 [1,1,0,1,0,0|1,0,0]=4 44430 B10R1.151 CCC(C)NCC1CCC1 2230a_100000738700_100000758301 [1,1,0,1,0,0|1,0,0]=4 44431 B10R1.151 CCC(C)NCC1CCC1 269862a_100000209981_100000753134 [1,1,0,1,0,0|1,0,0]=4 44432 B10R1.151 CCC(C)NCC1CCC1 34a_100000738700_100011215416 [1,1,0,1,0,0|1,0,0]=4 44433 B10R1.151 CCC(C)OCC1CCC1 34a_100000760304_100011215416 [1,1,0,1,0,0|0,0,0]=3 44434 B10R1.151 CCC(C)OCC1CCC1 7a_100000210228_100000763275 [1,1,0,1,0,0|0,0,0]=3 44435 B10R1.151 CCC(C)OCC1CCO1 34a_100000039022_100011215416 [1,1,0,1,0,0|1,0,0]=4 44436 B10R1.151 CCC(C)OCC1CCO1 7a_100000210228_100000103362 [1,1,0,1,0,0|1,0,0]=4 44437 B10R1.151 CCC(C)OCC1CNC1 34a_100016987283_100011215416 [1,1,0,1,0,0|1,0,0]=4 44438 B10R1.151 CCC(C)OCC1COC1 34a_100000060846_100011215416 [1,1,0,1,0,0|1,0,0]=4 44439 B10R1.151 CCC(C)OCC1COC1 7a_100000210228_100010264016 [1,1,0,1,0,0|1,0,0]=4 44440 B10R1.151 CCC(C)SCC1CCC1 62a_100000758301_100000763275 [1,1,0,1,0,0|0,1,0]=4 44441 B10R1.151 CCC(C)SCC1CCC1 62a_100000763275_100000758301 [1,1,0,1,0,0|0,1,0]=4 44442 B10R1.151 CCC(O)CNC1CCC1 2230a_100000749019_100011218378 [1,1,0,1,0,0|1,0,0]=4 44443 B10R1.151 CCC(O)CNC1CCC1 270004a_100011218483_100000241760 [1,1,0,1,0,0|1,0,0]=4 44444 B10R1.151 CCC(O)CNC1CCC1 34a_100000749019_100011218378 [1,1,0,1,0,0|1,0,0]=4 44445 B10R1.151 CCC(O)COC1CCC1 34a_100000748187_100011218378 [1,1,0,1,0,0|0,0,0]=3 44446 B10R1.151 CCC(O)COC1CSC1 7a_100000072292_100011218378 [1,1,0,1,0,0|1,0,0]=4 44447 B10R1.151 CCC(O)CSC1CCC1 62a_100011218378_100000749161 [1,1,0,1,0,0|0,1,0]=4 44448 B10R1.151 CC[C@H](C)CNC1CCC1 2230a_100000749019_100009816398 [1,1,0,1,0,0|1,0,0]=4 44449 B10R1.151 CC[C@H](C)CNC1CCC1 34a_100000749019_100009816398 [1,1,0,1,0,0|1,0,0]=4 44450 B10R1.151 CC[C@H](C)COC1CCC1 34a_100000748187_100009816398 [1,1,0,1,0,0|0,0,0]=3 44451 B10R1.151 CC[C@H](C)COC1COC1 7a_100009816381_100009818527 [1,1,0,1,0,0|1,0,0]=4 44452 B10R1.151 CC[C@H](C)COC1CSC1 7a_100000072292_100009816398 [1,1,0,1,0,0|1,0,0]=4 44453 B10R1.151 CC[C@H](C)CSC1CCC1 62a_100009816398_100000749161 [1,1,0,1,0,0|0,1,0]=4 44454 B10R1.151 COC(C)COC1CCC1 34a_100000690652_100000749161 [1,1,0,1,0,0|1,0,0]=4 44455 B10R1.151 C[C@@H](CO)COC1CCC1 34a_100000748187_100000059175 [1,1,0,1,0,0|1,0,0]=4 44456 B10R1.151 ClCC(Cl)COC1CCC1 34a_100000033668_100000749161 [1,1,0,1,0,0|1,0,0]=4 44457 B10R1.151 NC[C@@H](F)COC1CCC1 34a_100015665980_100000749161 [1,1,0,1,0,0|1,0,0]=4 44458 B10R1.151 OCC(O)COC1CCC1 34a_100000748187_100011219619 [1,1,0,1,0,0|1,0,0]=4 44459 B10R1.151 OC[C@H](O)COC1CCC1 34a_100000748187_100009815848 [1,1,0,1,0,0|1,0,0]=4 44460 B10R1.151 O[C@@H](CF)COC1CCC1 34a_100000748187_100015614560 [1,1,0,1,0,0|1,0,0]=4 44461 B10R1.153 CC(CF)OCCC1CC1 34a_100016041109_100000694398 [1,1,0,1,0,0|1,0,0]=4 44462 B10R1.153 CC(CF)OCCC1CC1 7a_100016041109_100000764125 [1,1,0,1,0,0|1,0,0]=4 44463 B10R1.153 CC(CN)COCC1CC1 34a_100000744482_100000742324 [1,1,0,1,0,0|1,0,0]=4 44464 B10R1.153 CC(CN)OCCC1CC1 34a_100000210904_100000694398 [1,1,0,1,0,0|1,0,0]=4 44465 B10R1.153 CC(CO)OCCC1CC1 34a_100000754188_100012180447 [1,1,0,1,0,0|1,0,0]=4 44466 B10R1.153 CC(CO)OCCC1CC1 7a_100000754188_100012180447 [1,1,0,1,0,0|1,0,0]=4 44467 B10R1.153 CCC(=O)COCC1CC1 34a_100000725409_100000742324 [1,1,0,1,0,0|0,0,1]=4 44468 B10R1.153 CCC(C)CNCC1CC1 2230a_100000735609_100000748023 [1,1,0,1,0,0|1,0,0]=4 44469 B10R1.153 CCC(C)CNCC1CC1 2230a_100020588543_100000742324 [1,1,0,1,0,0|1,0,0]=4 44470 B10R1.153 CCC(C)CNCC1CC1 269862a_100020588543_100000741477 [1,1,0,1,0,0|1,0,0]=4 44471 B10R1.153 CCC(C)CNCC1CC1 270004a_100000735609_100000243153 [1,1,0,1,0,0|1,0,0]=4 44472 B10R1.153 CCC(C)CNCC1CC1 34a_100000735609_100000748023 [1,1,0,1,0,0|1,0,0]=4 44473 B10R1.153 CCC(C)COCC1CC1 34a_100000211283_100000748023 [1,1,0,1,0,0|0,0,0]=3 44474 B10R1.153 CCC(C)COC[C@@H]1CO1 34a_100000757423_100000748023 [1,1,0,1,0,0|1,0,0]=4 44475 B10R1.153 CCC(C)CSCC1CC1 62a_100000748023_100000742324 [1,1,0,1,0,0|0,1,0]=4 44476 B10R1.153 CCC(C)CSCC1CC1 62a_100000756562_100000748023 [1,1,0,1,0,0|0,1,0]=4 44477 B10R1.153 CCC(C)NCCC1CC1 2230a_100000209981_100000694398 [1,1,0,1,0,0|1,0,0]=4 44478 B10R1.153 CCC(C)NCCC1CC1 34a_100000764129_100011215416 [1,1,0,1,0,0|1,0,0]=4 44479 B10R1.153 CCC(C)OCCC1CC1 34a_100000754188_100011215416 [1,1,0,1,0,0|0,0,0]=3 44480 B10R1.153 CCC(C)OCCC1CC1 7a_100000210228_100000764125 [1,1,0,1,0,0|0,0,0]=3 44481 B10R1.153 CCC(C)OCCC1CC1 7a_100000754188_100000758301 [1,1,0,1,0,0|0,0,0]=3 44482 B10R1.153 CCC(C)OCCC1CO1 7a_100000210228_100000732470 [1,1,0,1,0,0|1,0,0]=4 44483 B10R1.153 CCC(C)OCC[C@@H]1CO1 34a_100009820653_100011215416 [1,1,0,1,0,0|1,0,0]=4 44484 B10R1.153 CCC(C)SCCC1CC1 62a_100000758301_100000764125 [1,1,0,1,0,0|0,1,0]=4 44485 B10R1.153 CCC(C)SCCC1CC1 62a_100000764125_100000758301 [1,1,0,1,0,0|0,1,0]=4 44486 B10R1.153 CCC(O)CNCC1CC1 2230a_100000735609_100011218378 [1,1,0,1,0,0|1,0,0]=4 44487 B10R1.153 CCC(O)CNCC1CC1 2230a_100011218483_100000742324 [1,1,0,1,0,0|1,0,0]=4 44488 B10R1.153 CCC(O)CNCC1CC1 269862a_100011218483_100000741477 [1,1,0,1,0,0|1,0,0]=4 44489 B10R1.153 CCC(O)CNCC1CC1 34a_100000735609_100011218378 [1,1,0,1,0,0|1,0,0]=4 44490 B10R1.153 CCC(O)COCC1CC1 34a_100000211283_100011218378 [1,1,0,1,0,0|0,0,0]=3 44491 B10R1.153 CCC(O)COC[C@@H]1CO1 34a_100000757423_100011218378 [1,1,0,1,0,0|1,0,0]=4 44492 B10R1.153 CCC(O)CSCC1CC1 62a_100000756562_100011218378 [1,1,0,1,0,0|0,1,0]=4 44493 B10R1.153 CCC(O)CSCC1CC1 62a_100011218378_100000742324 [1,1,0,1,0,0|0,1,0]=4 44494 B10R1.153 CC[C@H](C)CNCC1CC1 2230a_100000735609_100009816398 [1,1,0,1,0,0|1,0,0]=4 44495 B10R1.153 CC[C@H](C)CNCC1CC1 34a_100000735609_100009816398 [1,1,0,1,0,0|1,0,0]=4 44496 B10R1.153 CC[C@H](C)COCC1CC1 34a_100000211283_100009816398 [1,1,0,1,0,0|0,0,0]=3 44497 B10R1.153 CC[C@H](C)COCC1CC1 7a_100009816381_100000742324 [1,1,0,1,0,0|0,0,0]=3 44498 B10R1.153 CC[C@H](C)COCC1CO1 7a_100009816381_102125554688 [1,1,0,1,0,0|1,0,0]=4 44499 B10R1.153 CC[C@H](C)COCC1CS1 7a_100009816381_100000031435 [1,1,0,1,0,0|1,0,0]=4 44500 B10R1.153 CC[C@H](C)COC[C@@H]1CO1 34a_100000757423_100009816398 [1,1,0,1,0,0|1,0,0]=4 44501 B10R1.153 CC[C@H](C)COC[C@@H]1CO1 7a_100009816381_100000745022 [1,1,0,1,0,0|1,0,0]=4 44502 B10R1.153 CC[C@H](C)CSCC1CC1 62a_100000756562_100009816398 [1,1,0,1,0,0|0,1,0]=4 44503 B10R1.153 CC[C@H](C)CSCC1CC1 62a_100009816398_100000742324 [1,1,0,1,0,0|0,1,0]=4 44504 B10R1.153 COC(C)COCC1CC1 34a_100000690652_100000742324 [1,1,0,1,0,0|1,0,0]=4 44505 B10R1.153 C[C@@H](CO)COCC1CC1 34a_100000211283_100000059175 [1,1,0,1,0,0|1,0,0]=4 44506 B10R1.153 ClCC(Cl)COCC1CC1 34a_100000033668_100000742324 [1,1,0,1,0,0|1,0,0]=4 44507 B10R1.153 NC[C@@H](F)COCC1CC1 34a_100015665980_100000742324 [1,1,0,1,0,0|1,0,0]=4 44508 B10R1.153 OCC(O)COCC1CC1 34a_100000211283_100011219619 [1,1,0,1,0,0|1,0,0]=4 44509 B10R1.153 OC[C@H](O)COCC1CC1 34a_100000211283_100009815848 [1,1,0,1,0,0|1,0,0]=4 44510 B10R1.153 O[C@@H](CF)COCC1CC1 34a_100000211283_100015614560 [1,1,0,1,0,0|1,0,0]=4 44511 B10R1.172 CCC1CCCC(C1)NC 270004a_106832991635_100000756783 [1,1,0,1,0,0|1,0,0]=4 44512 B10R1.172 CCC1CCCC(C1)OC 7a_100011985506_200000210301 [1,1,0,1,0,0|1,0,0]=4 44513 B10R1.172 CCC1CCCC(C1)O[13CH3] 7a_100011985506_200025704644 [1,1,0,1,0,0|1,0,0]=4 44514 B10R1.172 CCC1CN(CCO1)CC 2230a_100000736320_100000210202 [1,1,0,1,0,0|1,0,0]=4 44515 B10R1.172 CCC1CN(CCO1)CC 269982a_100000736320_100000204670 [1,1,0,1,0,0|1,0,0]=4 44516 B10R1.172 CCC1CN(CCO1)CC 34a_100000736320_100000210202 [1,1,0,1,0,0|1,0,0]=4 44517 B10R1.206 CC(CO)OCC1CC1C 34a_100000744939_100012180447 [1,1,0,1,0,0|1,0,0]=4 44518 B10R1.206 CC(CO)OCC1CC1C 7a_100000744939_100012180447 [1,1,0,1,0,0|1,0,0]=4 44519 B10R1.206 CCC(C)OCC1CC1C 34a_100000744939_100011215416 [1,1,0,1,0,0|0,0,0]=3 44520 B10R1.206 CCC(C)OCC1CC1C 7a_100000744939_100000758301 [1,1,0,1,0,0|0,0,0]=3 44521 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210211 [1,1,0,1,0,0|1,0,0]=4 44522 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210211 [1,1,0,1,0,0|1,0,0]=4 44523 B10R1.232 CC1(CCCCCC1)N[13CH3] 2230a_100000704638_200025704644 [1,1,0,1,0,0|1,0,0]=4 44524 B10R1.232 CC1(CCCCCC1)N[13CH3] 34a_100000704638_200025704644 [1,1,0,1,0,0|1,0,0]=4 44525 B10R1.232 CC1(CCCCCC1)O[13CH3] 34a_100000708895_200025704644 [1,1,0,1,0,0|1,0,0]=4 44526 B10R1.232 CC1(CCCCCC1)O[13CH3] 7a_100000708895_200025704644 [1,1,0,1,0,0|1,0,0]=4 44527 B10R1.232 CNC1(CCCCCC1)C 2230a_100000704638_200000210301 [1,1,0,1,0,0|1,0,0]=4 44528 B10R1.232 CNC1(CCCCCC1)C 34a_100000704638_200000210301 [1,1,0,1,0,0|1,0,0]=4 44529 B10R1.232 COC1(CCCCCC1)C 34a_100000708895_200000210301 [1,1,0,1,0,0|1,0,0]=4 44530 B10R1.232 COC1(CCCCCC1)C 7a_100000708895_200000210301 [1,1,0,1,0,0|1,0,0]=4 44531 B10R1.463 CCC(C)CN1CCC1C 269982a_100000755817_100000748023 [1,1,0,1,0,0|1,0,0]=4 44532 B10R1.463 CCC(C)CN1CCC1C 34a_100000755817_100000748023 [1,1,0,1,0,0|1,0,0]=4 44533 B10R1.463 CCC(O)CN1CCC1C 269982a_100000755817_100011218378 [1,1,0,1,0,0|1,0,0]=4 44534 B10R1.463 CCC(O)CN1CCC1C 34a_100000755817_100011218378 [1,1,0,1,0,0|1,0,0]=4 44535 B10R1.463 CC[C@H](C)CN1CCC1C 269982a_100000755817_100009816398 [1,1,0,1,0,0|1,0,0]=4 44536 B10R1.463 CC[C@H](C)CN1CCC1C 34a_100000755817_100009816398 [1,1,0,1,0,0|1,0,0]=4 44537 B10R2.6 C1COCN(C1)C2CC2 269982a_100000131196_100000211595 [1,0,0,2,0,0|1,0,0]=4 44538 B10R2.6 C1COCN(C1)C2CC2 34a_100000131196_100000211595 [1,0,0,2,0,0|1,0,0]=4 44539 B10R2.58 CCCN1CC2CC2C1 2230a_100000741873_100000210303 [1,0,0,2,0,0|1,0,0]=4 44540 B10R2.58 CCCN1CC2CC2C1 269982a_100000741873_100000210303 [1,0,0,2,0,0|1,0,0]=4 44541 B10R2.58 CCCN1CC2CC2C1 34a_100000741873_100000210303 [1,0,0,2,0,0|1,0,0]=4 44542 B10R2.58 CCNC1CC2CC2C1 270004a_100015525214_100010340937 [1,0,0,2,0,0|1,0,0]=4 44543 B10R2.62 CN1CC2CCC1CC2 2230a_100000750499_200000210301 [1,0,0,2,0,0|1,0,0]=4 44544 B10R2.62 CN1CC2CCC1CC2 269982a_100000750499_200000210301 [1,0,0,2,0,0|1,0,0]=4 44545 B10R2.62 CN1CC2CCC1CC2 34a_100000750499_200000210301 [1,0,0,2,0,0|1,0,0]=4 44546 B10R2.62 [13CH3]N1CC2CCC1CC2 2230a_100000750499_200025704644 [1,0,0,2,0,0|1,0,0]=4 44547 B10R2.62 [13CH3]N1CC2CCC1CC2 269982a_100000750499_200025704644 [1,0,0,2,0,0|1,0,0]=4 44548 B10R2.62 [13CH3]N1CC2CCC1CC2 34a_100000750499_200025704644 [1,0,0,2,0,0|1,0,0]=4 44549 B10R2.161 CCN1C2CCC1CC2 2230a_100000735658_100000210202 [1,0,0,2,0,0|1,0,0]=4 44550 B10R2.161 CCN1C2CCC1CC2 269982a_100000735658_100000204670 [1,0,0,2,0,0|1,0,0]=4 44551 B10R2.161 CCN1C2CCC1CC2 34a_100000735658_100000210202 [1,0,0,2,0,0|1,0,0]=4 44552 B10R2.161 CNC1C2CCC1CC2 34a_100102657272_100009813300 [1,0,0,2,0,0|1,0,0]=4 44553 B10R2.161 COC1C2CCC1CC2 34a_100138415774_100009813300 [1,0,0,2,0,0|1,0,0]=4 44554 B10R2.161 CSC1C2CCC1CC2 62a_100009813300_200000210301 [1,0,0,2,0,0|1,0,0]=4 44555 B10R2.161 CSC1C2CCC1CC2 62a_200000210301_100009813300 [1,0,0,2,0,0|1,0,0]=4 44556 B10R2.161 [13CH3]SC1C2CCC1CC2 62a_100009813300_200025704644 [1,0,0,2,0,0|1,0,0]=4 44557 B10R2.161 [13CH3]SC1C2CCC1CC2 62a_200025704644_100009813300 [1,0,0,2,0,0|1,0,0]=4 44558 B10R2.368 CCNC1CCC2C1C2 269862a_100015525214_100000692480 [1,0,0,2,0,0|1,0,0]=4 44559 B10R2.368 CCNC1CCC2C1C2 270004a_100015525214_100000692480 [1,0,0,2,0,0|1,0,0]=4 44560 B10R2.368 CCOC1CCC2C1C2 34a_200012295571_100000210202 [1,0,0,2,0,0|1,0,0]=4 44561 B10R2.99 CCN1CC2CCC1C2 2230a_100000743476_100000210202 [1,0,0,2,0,0|1,0,0]=4 44562 B10R2.99 CCN1CC2CCC1C2 269982a_100000743476_100000204670 [1,0,0,2,0,0|1,0,0]=4 44563 B10R2.99 CCN1CC2CCC1C2 34a_100000743476_100000210202 [1,0,0,2,0,0|1,0,0]=4 44564 B10R2.99 CCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000210202 [1,0,0,2,0,0|1,0,0]=4 44565 B10R2.99 CCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000204670 [1,0,0,2,0,0|1,0,0]=4 44566 B10R2.99 CCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000210202 [1,0,0,2,0,0|1,0,0]=4 44567 B10R2.99 CNC1CC2CCC1C2 2230a_100000758229_200000210301 [1,0,0,2,0,0|1,0,0]=4 44568 B10R2.99 CNC1CC2CCC1C2 269862a_106832991636_100000223372 [1,0,0,2,0,0|1,0,0]=4 44569 B10R2.99 CNC1CC2CCC1C2 270004a_106832991635_100000223372 [1,0,0,2,0,0|1,0,0]=4 44570 B10R2.99 CNC1CC2CCC1C2 34a_100000758229_200000210301 [1,0,0,2,0,0|1,0,0]=4 44571 B10R2.99 CNC1CC2CCC1C2 34a_100102657272_100000727232 [1,0,0,2,0,0|1,0,0]=4 44572 B10R2.99 COC1CC2CCC1C2 34a_100000211339_200000210301 [1,0,0,2,0,0|1,0,0]=4 44573 B10R2.99 COC1CC2CCC1C2 34a_100138415774_100000727232 [1,0,0,2,0,0|1,0,0]=4 44574 B10R2.99 CSC1CC2CCC1C2 62a_100000727232_200000210301 [1,0,0,2,0,0|1,0,0]=4 44575 B10R2.99 CSC1CC2CCC1C2 62a_200000210301_100000727232 [1,0,0,2,0,0|1,0,0]=4 44576 B10R2.99 [13CH3]NC1CC2CCC1C2 2230a_100000758229_200025704644 [1,0,0,2,0,0|1,0,0]=4 44577 B10R2.99 [13CH3]NC1CC2CCC1C2 34a_100000758229_200025704644 [1,0,0,2,0,0|1,0,0]=4 44578 B10R2.99 [13CH3]OC1CC2CCC1C2 34a_100000211339_200025704644 [1,0,0,2,0,0|1,0,0]=4 44579 B10R2.99 [13CH3]SC1CC2CCC1C2 62a_100000727232_200025704644 [1,0,0,2,0,0|1,0,0]=4 44580 B10R2.99 [13CH3]SC1CC2CCC1C2 62a_200025704644_100000727232 [1,0,0,2,0,0|1,0,0]=4 44581 B10R2.136 C1CC(C1)N2CCCC2 269982a_100000188435_100000749161 [1,0,0,2,0,0|1,0,0]=4 44582 B10R2.136 C1CC(C1)N2CCCC2 270004a_100000188435_100000241760 [1,0,0,2,0,0|1,0,0]=4 44583 B10R2.136 C1CCC(C1)N2CCC2 269982a_100000754969_100000179811 [1,0,0,2,0,0|1,0,0]=4 44584 B10R2.193 C1CCC(C1)NC2CC2 34a_100000211070_100000211595 [1,0,0,2,0,0|1,0,0]=4 44585 B10R2.193 C1CCC(C1)NC2CC2 34a_100000212008_100000179811 [1,0,0,2,0,0|1,0,0]=4 44586 B10R2.193 C1CCC(C1)OC2CC2 34a_100000210269_100000211595 [1,0,0,2,0,0|0,0,0]=3 44587 B10R2.193 C1CCC(C1)SC2CC2 62a_100011217020_100000211595 [1,0,0,2,0,0|0,1,0]=4 44588 B10R2.193 C1CCN(C1)CC2CC2 2230a_100000188435_100000742324 [1,0,0,2,0,0|1,0,0]=4 44589 B10R2.193 C1CCN(C1)CC2CC2 269982a_100000188435_100000756562 [1,0,0,2,0,0|1,0,0]=4 44590 B10R2.193 C1COC(C1)OC2CC2 34a_100000085407_100000211595 [1,0,0,2,0,0|1,0,0]=4 44591 B10R2.193 C1C[C@@H](CO1)OC2CC2 34a_100000717292_100000211595 [1,0,0,2,0,0|1,0,0]=4 44592 B10R2.8 CCN1CCCC12CC2 2230a_100020620911_100000210202 [1,0,0,2,0,0|1,0,0]=4 44593 B10R2.8 CCN1CCCC12CC2 269982a_100020620911_100000204670 [1,0,0,2,0,0|1,0,0]=4 44594 B10R2.8 CCN1CCCC12CC2 34a_100020620911_100000210202 [1,0,0,2,0,0|1,0,0]=4 44595 B10R2.8 CNC1CCCC12CC2 269862a_106832991636_100009881796 [1,0,0,2,0,0|1,0,0]=4 44596 B10R2.41 CN1C2CCC1COC2 2230a_100015205251_200000210301 [1,0,0,2,0,0|1,0,0]=4 44597 B10R2.41 CN1C2CCC1COC2 269982a_100015205251_200000210301 [1,0,0,2,0,0|1,0,0]=4 44598 B10R2.41 CN1C2CCC1COC2 34a_100015205251_200000210301 [1,0,0,2,0,0|1,0,0]=4 44599 B10R2.41 [13CH3]N1C2CCC1COC2 2230a_100015205251_200025704644 [1,0,0,2,0,0|1,0,0]=4 44600 B10R2.41 [13CH3]N1C2CCC1COC2 269982a_100015205251_200025704644 [1,0,0,2,0,0|1,0,0]=4 44601 B10R2.41 [13CH3]N1C2CCC1COC2 34a_100015205251_200025704644 [1,0,0,2,0,0|1,0,0]=4 44602 B10R2.402 CNC1CCCC2C1C2 269862a_106832991636_100000697651 [1,0,0,2,0,0|1,0,0]=4 44603 B10R2.75 CC1CC1COC2CC2 34a_100000744939_100000211595 [1,0,0,2,0,0|0,0,0]=3 44604 B10R2.192 C1CC(C1)CN2CCC2 269982a_100000754969_100000763275 [1,0,0,2,0,0|1,0,0]=4 44605 B10R2.192 C1CC(C1)NC2CCC2 34a_100000749019_100000749161 [1,0,0,2,0,0|1,0,0]=4 44606 B10R2.192 C1CC(C1)OC2CCC2 34a_100000748187_100000749161 [1,0,0,2,0,0|0,0,0]=3 44607 B10R2.192 C1CC(C1)OC2COC2 34a_100000748187_100009818527 [1,0,0,2,0,0|1,0,0]=4 44608 B10R2.324 CC1CCN1C2CCC2 269982a_100000755817_100000749161 [1,0,0,2,0,0|1,0,0]=4 44609 B10R2.324 CC1CCN1C2CCC2 34a_100000755817_100000749161 [1,0,0,2,0,0|1,0,0]=4 44610 B10R2.411 C1CC(C1)CNC2CC2 34a_100000212008_100000763275 [1,0,0,2,0,0|1,0,0]=4 44611 B10R2.411 C1CC(C1)CNC2CC2 34a_100000738700_100000211595 [1,0,0,2,0,0|1,0,0]=4 44612 B10R2.411 C1CC(C1)COC2CC2 34a_100000760304_100000211595 [1,0,0,2,0,0|0,0,0]=3 44613 B10R2.411 C1CC(C1)CSC2CC2 62a_100000763275_100000211595 [1,0,0,2,0,0|0,1,0]=4 44614 B10R2.411 C1CC(C1)NCC2CC2 2230a_100000749019_100000742324 [1,0,0,2,0,0|1,0,0]=4 44615 B10R2.411 C1CC(C1)NCC2CC2 269862a_100000749019_100000741477 [1,0,0,2,0,0|1,0,0]=4 44616 B10R2.411 C1CC(C1)NCC2CC2 270004a_100000735609_100000241760 [1,0,0,2,0,0|1,0,0]=4 44617 B10R2.411 C1CC(C1)NCC2CC2 34a_100000735609_100000749161 [1,0,0,2,0,0|1,0,0]=4 44618 B10R2.411 C1CC(C1)NCC2CC2 34a_100000749019_100000742324 [1,0,0,2,0,0|1,0,0]=4 44619 B10R2.411 C1CC(C1)OCC2CC2 34a_100000211283_100000749161 [1,0,0,2,0,0|0,0,0]=3 44620 B10R2.411 C1CC(C1)OCC2CC2 34a_100000748187_100000742324 [1,0,0,2,0,0|0,0,0]=3 44621 B10R2.411 C1CC(C1)OCC2CO2 34a_100000748187_102125554688 [1,0,0,2,0,0|1,0,0]=4 44622 B10R2.411 C1CC(C1)OC[C@@H]2CO2 34a_100000757423_100000749161 [1,0,0,2,0,0|1,0,0]=4 44623 B10R2.411 C1CC(C1)SCC2CC2 62a_100000756562_100000749161 [1,0,0,2,0,0|0,1,0]=4 44624 B10R2.411 C1CC(O1)COC2CC2 34a_100000039022_100000211595 [1,0,0,2,0,0|1,0,0]=4 44625 B10R2.411 C1CC1COC2COC2 34a_100000211283_100009818527 [1,0,0,2,0,0|1,0,0]=4 44626 B10R2.411 C1CC1COC2CSC2 7a_100000072292_100000742324 [1,0,0,2,0,0|1,0,0]=4 44627 B10R2.411 C1CN(C1)CCC2CC2 269982a_100000754969_100000694398 [1,0,0,2,0,0|1,0,0]=4 44628 B10R2.411 C1NCC1COC2CC2 34a_100016987283_100000211595 [1,0,0,2,0,0|1,0,0]=4 44629 B10R2.411 C1OCC1COC2CC2 34a_100000060846_100000211595 [1,0,0,2,0,0|1,0,0]=4 44630 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_200000210301 [1,0,0,2,0,0|1,0,0]=4 44631 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_200000210301 [1,0,0,2,0,0|1,0,0]=4 44632 B10R2.2 CN1C[C@H]2CCC[C@H]2C1 34a_100102946302_200000210301 [1,0,0,2,0,0|1,0,0]=4 44633 B10R2.2 CN1C[C@H]2COC[C@H]2C1 2230a_100000700037_200000210301 [1,0,0,2,0,0|1,0,0]=4 44634 B10R2.2 CN1C[C@H]2COC[C@H]2C1 269982a_100000700037_200000210301 [1,0,0,2,0,0|1,0,0]=4 44635 B10R2.2 CN1C[C@H]2COC[C@H]2C1 34a_100000700037_200000210301 [1,0,0,2,0,0|1,0,0]=4 44636 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 2230a_100102946302_200025704644 [1,0,0,2,0,0|1,0,0]=4 44637 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 269982a_100102946302_200025704644 [1,0,0,2,0,0|1,0,0]=4 44638 B10R2.2 [13CH3]N1C[C@H]2CCC[C@H]2C1 34a_100102946302_200025704644 [1,0,0,2,0,0|1,0,0]=4 44639 B10R2.2 [13CH3]N1C[C@H]2COC[C@H]2C1 2230a_100000700037_200025704644 [1,0,0,2,0,0|1,0,0]=4 44640 B10R2.2 [13CH3]N1C[C@H]2COC[C@H]2C1 269982a_100000700037_200025704644 [1,0,0,2,0,0|1,0,0]=4 44641 B10R2.2 [13CH3]N1C[C@H]2COC[C@H]2C1 34a_100000700037_200025704644 [1,0,0,2,0,0|1,0,0]=4 44642 B10R2.21 CN1CCCC1C2CC2 2230a_200000757794_200000210301 [1,0,0,2,0,0|1,0,0]=4 44643 B10R2.21 CN1CCCC1C2CC2 269982a_200000757794_200000210301 [1,0,0,2,0,0|1,0,0]=4 44644 B10R2.21 CN1CCCC1C2CC2 34a_200000757794_200000210301 [1,0,0,2,0,0|1,0,0]=4 44645 B10R2.21 C[C@@H]1CCCN1C2CC2 269982a_100015189458_100000211595 [1,0,0,2,0,0|1,0,0]=4 44646 B10R2.21 C[C@@H]1CCCN1C2CC2 34a_100015189458_100000211595 [1,0,0,2,0,0|1,0,0]=4 44647 B10R2.21 C[C@H]1CCCN1C2CC2 269982a_100020605311_100000211595 [1,0,0,2,0,0|1,0,0]=4 44648 B10R2.21 [13CH3]N1CCCC1C2CC2 2230a_200000757794_200025704644 [1,0,0,2,0,0|1,0,0]=4 44649 B10R2.21 [13CH3]N1CCCC1C2CC2 269982a_200000757794_200025704644 [1,0,0,2,0,0|1,0,0]=4 44650 B10R2.21 [13CH3]N1CCCC1C2CC2 34a_200000757794_200025704644 [1,0,0,2,0,0|1,0,0]=4 44651 B10R2.27 CC1CCN1CC2CC2 269982a_100000755817_100000756562 [1,0,0,2,0,0|1,0,0]=4 44652 B10R2.27 CC1CCN1CC2CC2 34a_100000755817_100000742324 [1,0,0,2,0,0|1,0,0]=4 44653 B10R2.410 C(CC1CC1)NC2CC2 34a_100000212008_100000694398 [1,0,0,2,0,0|1,0,0]=4 44654 B10R2.410 C(CC1CC1)NC2CC2 34a_100000764129_100000211595 [1,0,0,2,0,0|1,0,0]=4 44655 B10R2.410 C(CC1CC1)OC2CC2 34a_100000754188_100000211595 [1,0,0,2,0,0|0,0,0]=3 44656 B10R2.410 C(CC1CC1)SC2CC2 62a_100000764125_100000211595 [1,0,0,2,0,0|0,1,0]=4 44657 B10R2.410 C(C[C@@H]1CO1)OC2CC2 34a_100009820653_100000211595 [1,0,0,2,0,0|1,0,0]=4 44658 B10R2.410 C1CC1CNCC2CC2 2230a_100000735609_100000742324 [1,0,0,2,0,0|1,0,0]=4 44659 B10R2.410 C1CC1CNCC2CC2 34a_100000735609_100000742324 [1,0,0,2,0,0|1,0,0]=4 44660 B10R2.410 C1CC1COCC2CC2 34a_100000211283_100000742324 [1,0,0,2,0,0|0,0,0]=3 44661 B10R2.410 C1CC1COCC2CO2 34a_100000211283_102125554688 [1,0,0,2,0,0|1,0,0]=4 44662 B10R2.410 C1CC1COC[C@@H]2CO2 34a_100000757423_100000742324 [1,0,0,2,0,0|1,0,0]=4 44663 B10R2.410 C1CC1CSCC2CC2 62a_100000756562_100000742324 [1,0,0,2,0,0|0,1,0]=4 44664 B12R1.7 C#CCCCOC1CCC(C1)C 34a_100000698185_100000695029 [0,2,0,1,0,0|0,0,1]=4 44665 B12R1.7 C=CCCCOC1CCC(C1)C 34a_100000698185_100000757094 [0,2,0,1,0,0|0,0,1]=4 44666 B12R1.7 CC/C=C\COC1CCC(C1)C 34a_100000698185_100103147603 [0,2,0,1,0,0|0,0,1]=4 44667 B12R1.7 CC1CCC(C1)NCCCCO 270004a_100000750430_100011215218 [0,2,0,1,0,0|1,0,0]=4 44668 B12R1.7 CC1CCC(C1)OCCCCF 34a_100000698185_100000729493 [0,2,0,1,0,0|0,0,0]=3 44669 B12R1.7 CC1CCC(C1)OCCCCO 34a_100000698185_100011216708 [0,2,0,1,0,0|0,0,0]=3 44670 B12R1.7 CCC#CCOC1CCC(C1)C 34a_100000698185_100009813939 [0,2,0,1,0,0|0,0,1]=4 44671 B12R1.7 CCCCCCN1CCC(C1)O 2230a_100011215560_100000210314 [0,2,0,1,0,0|1,0,0]=4 44672 B12R1.7 CCCCCCN1CCC(C1)O 269982a_100011215560_100000210757 [0,2,0,1,0,0|1,0,0]=4 44673 B12R1.7 CCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210314 [0,2,0,1,0,0|1,0,0]=4 44674 B12R1.7 CCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210757 [0,2,0,1,0,0|1,0,0]=4 44675 B12R1.7 CCCCCCN1CC[C@@H](C1)F 34a_100015203821_100000210314 [0,2,0,1,0,0|1,0,0]=4 44676 B12R1.7 CCCCCCN1CC[C@H](C1)C 2230a_100016987628_100000210314 [0,2,0,1,0,0|1,0,0]=4 44677 B12R1.7 CCCCCCN1CC[C@H](C1)C 269982a_100016987628_100000210757 [0,2,0,1,0,0|1,0,0]=4 44678 B12R1.7 CCCCCCN1CC[C@H](C1)C 34a_100016987628_100000210314 [0,2,0,1,0,0|1,0,0]=4 44679 B12R1.7 CCCCCNC1CCC(C1)C 270004a_100000209983_100011215218 [0,2,0,1,0,0|1,0,0]=4 44680 B12R1.7 CCCCCNC1CCC(C1)O 270004a_100000209983_100012614533 [0,2,0,1,0,0|1,0,0]=4 44681 B12R1.7 CCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210326 [0,2,0,1,0,0|1,0,0]=4 44682 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [0,2,0,1,0,0|0,0,0]=3 44683 B12R1.7 CCCCCOC1CCC(C1)C 34a_100000698185_100000718602 [0,2,0,1,0,0|0,0,0]=3 44684 B12R1.7 CCCCCOC1CCN(C1)C 7a_100000210253_200012183744 [0,2,0,1,0,0|0,0,0]=3 44685 B12R1.7 CCCCCOC1CNC(=O)C1 34a_100000690082_100000718602 [0,2,0,1,0,0|0,0,1]=4 44686 B12R1.7 CCCCCSC1CCN(C1)C 62a_100000210326_200012183744 [0,2,0,1,0,0|0,1,0]=4 44687 B12R1.7 CCCCNCC1CCN(C1)C 7a_106832991798_200000690779 [0,2,0,1,0,0|1,0,0]=4 44688 B12R1.7 CCCCOCC1CCC(=O)N1 34a_100000737831_100000210210 [0,2,0,1,0,0|0,0,1]=4 44689 B12R1.7 CCCCOCC1CCN(C1)C 34a_100000210227_200000690779 [0,2,0,1,0,0|0,0,0]=3 44690 B12R1.7 CCCCOCC1CCN(C1)C 7a_100000210227_200000690779 [0,2,0,1,0,0|0,0,0]=3 44691 B12R1.7 CCCCOCC1CNC(=O)C1 34a_100016041077_100000210210 [0,2,0,1,0,0|0,0,1]=4 44692 B12R1.7 CCCCOCN1CCC(C1)O 2230a_100011215560_100011995733 [0,2,0,1,0,0|0,0,0]=3 44693 B12R1.7 CCCCOCN1CCC(C1)O 269982a_100011215560_100011995733 [0,2,0,1,0,0|0,0,0]=3 44694 B12R1.7 CCCCOCN1CC[C@@H](C1)F 2230a_100015203821_100011995733 [0,2,0,1,0,0|0,0,0]=3 44695 B12R1.7 CCCCOCN1CC[C@@H](C1)F 269982a_100015203821_100011995733 [0,2,0,1,0,0|0,0,0]=3 44696 B12R1.7 CCCCOCN1CC[C@@H](C1)F 34a_100015203821_100011995733 [0,2,0,1,0,0|0,0,0]=3 44697 B12R1.7 CCCCOCN1CC[C@H](C1)C 2230a_100016987628_100011995733 [0,2,0,1,0,0|0,0,0]=3 44698 B12R1.7 CCCCOCN1CC[C@H](C1)C 269982a_100016987628_100011995733 [0,2,0,1,0,0|0,0,0]=3 44699 B12R1.7 CCCCOCN1CC[C@H](C1)C 34a_100016987628_100011995733 [0,2,0,1,0,0|0,0,0]=3 44700 B12R1.7 CCCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000210210 [0,2,0,1,0,0|0,0,1]=4 44701 B12R1.7 CCCCOC[C@@H]1CCC(=O)N1 7a_100000210227_100015189358 [0,2,0,1,0,0|0,0,1]=4 44702 B12R1.7 CCCCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000210210 [0,2,0,1,0,0|0,0,0]=3 44703 B12R1.7 CCCCSCC1CCN(C1)C 62a_100000210211_200000690779 [0,2,0,1,0,0|0,1,0]=4 44704 B12R1.7 CCCCSCC1CCN(C1)C 62a_200000690779_100000210210 [0,2,0,1,0,0|0,1,0]=4 44705 B12R1.7 CCCOCCN1CCC(C1)O 2230a_100011215560_100011215938 [0,2,0,1,0,0|1,0,0]=4 44706 B12R1.7 CCCOCCN1CCC(C1)O 269982a_100011215560_100011215938 [0,2,0,1,0,0|1,0,0]=4 44707 B12R1.7 CCCOCCN1CC[C@@H](C1)F 2230a_100015203821_100011215938 [0,2,0,1,0,0|1,0,0]=4 44708 B12R1.7 CCCOCCN1CC[C@@H](C1)F 269982a_100015203821_100011215938 [0,2,0,1,0,0|1,0,0]=4 44709 B12R1.7 CCCOCCN1CC[C@@H](C1)F 34a_100015203821_100011215938 [0,2,0,1,0,0|1,0,0]=4 44710 B12R1.7 CCCOCCN1CC[C@H](C1)C 2230a_100016987628_100011215938 [0,2,0,1,0,0|1,0,0]=4 44711 B12R1.7 CCCOCCN1CC[C@H](C1)C 269982a_100016987628_100011215938 [0,2,0,1,0,0|1,0,0]=4 44712 B12R1.7 CCCOCCN1CC[C@H](C1)C 34a_100016987628_100011215938 [0,2,0,1,0,0|1,0,0]=4 44713 B12R1.7 CCOCCCN1CCC(C1)O 2230a_100011215560_100012232248 [0,2,0,1,0,0|1,0,0]=4 44714 B12R1.7 CCOCCCN1CCC(C1)O 269982a_100011215560_100012232248 [0,2,0,1,0,0|1,0,0]=4 44715 B12R1.7 CCOCCCN1CC[C@@H](C1)F 2230a_100015203821_100012232248 [0,2,0,1,0,0|1,0,0]=4 44716 B12R1.7 CCOCCCN1CC[C@@H](C1)F 269982a_100015203821_100012232248 [0,2,0,1,0,0|1,0,0]=4 44717 B12R1.7 CCOCCCN1CC[C@@H](C1)F 34a_100015203821_100012232248 [0,2,0,1,0,0|1,0,0]=4 44718 B12R1.7 CCOCCCN1CC[C@H](C1)C 2230a_100016987628_100012232248 [0,2,0,1,0,0|1,0,0]=4 44719 B12R1.7 CCOCCCN1CC[C@H](C1)C 269982a_100016987628_100012232248 [0,2,0,1,0,0|1,0,0]=4 44720 B12R1.7 CCOCCCN1CC[C@H](C1)C 34a_100016987628_100012232248 [0,2,0,1,0,0|1,0,0]=4 44721 B12R1.7 CCOCCNC1CCC(C1)C 270004a_102516460346_100011215218 [0,2,0,1,0,0|1,0,0]=4 44722 B12R1.7 CCOCCNC1CCC(C1)O 270004a_102516460346_100012614533 [0,2,0,1,0,0|1,0,0]=4 44723 B12R1.7 CCOCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011215890 [0,2,0,1,0,0|1,0,0]=4 44724 B12R1.7 CCOCCOC1CCC(=O)C1 34a_100012614533_100000210147 [0,2,0,1,0,0|0,0,1]=4 44725 B12R1.7 CCOCCOC1CCC(C1)C 34a_100000698185_100000210147 [0,2,0,1,0,0|0,0,0]=3 44726 B12R1.7 CCOCCOC1CCN(C1)C 7a_100000210136_200012183744 [0,2,0,1,0,0|1,0,0]=4 44727 B12R1.7 CCSCCNC1CCC(C1)C 270004a_100000106463_100011215218 [0,2,0,1,0,0|1,0,0]=4 44728 B12R1.7 CCSCCNC1CCC(C1)O 270004a_100000106463_100012614533 [0,2,0,1,0,0|1,0,0]=4 44729 B12R1.7 CCSCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000757381 [0,2,0,1,0,0|1,0,0]=4 44730 B12R1.7 CCSCCOC1CCC(=O)C1 34a_100012614533_100000757381 [0,2,0,1,0,0|0,0,1]=4 44731 B12R1.7 CCSCCOC1CCC(C1)C 34a_100000698185_100000757381 [0,2,0,1,0,0|0,0,0]=3 44732 B12R1.7 CCSCCOC1CCN(C1)C 7a_100000212035_200012183744 [0,2,0,1,0,0|1,0,0]=4 44733 B12R1.7 CN1CCC(C1)COCCCBr 34a_100011217188_200000690779 [0,2,0,1,0,0|1,0,0]=4 44734 B12R1.7 CN1CCC(C1)COCCCCl 34a_100000230001_200000690779 [0,2,0,1,0,0|1,0,0]=4 44735 B12R1.7 CN1CCC(C1)COCCCF 34a_100000759539_200000690779 [0,2,0,1,0,0|1,0,0]=4 44736 B12R1.7 CN1CCC(C1)COCCCN 34a_100000182051_200000690779 [0,2,0,1,0,0|1,0,0]=4 44737 B12R1.7 CN1CCC(C1)OCCCCCl 7a_100000210776_200012183744 [0,2,0,1,0,0|1,0,0]=4 44738 B12R1.7 CN1CCC(C1)OCCCCF 7a_100011995726_200012183744 [0,2,0,1,0,0|1,0,0]=4 44739 B12R1.7 COCCCCN1CCC(C1)O 2230a_100011215560_100000730899 [0,2,0,1,0,0|1,0,0]=4 44740 B12R1.7 COCCCCN1CCC(C1)O 269982a_100011215560_100000730899 [0,2,0,1,0,0|1,0,0]=4 44741 B12R1.7 COCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000730899 [0,2,0,1,0,0|1,0,0]=4 44742 B12R1.7 COCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000730899 [0,2,0,1,0,0|1,0,0]=4 44743 B12R1.7 COCCCCN1CC[C@@H](C1)F 34a_100015203821_100000755781 [0,2,0,1,0,0|1,0,0]=4 44744 B12R1.7 COCCCCN1CC[C@H](C1)C 2230a_100016987628_100000730899 [0,2,0,1,0,0|1,0,0]=4 44745 B12R1.7 COCCCCN1CC[C@H](C1)C 269982a_100016987628_100000730899 [0,2,0,1,0,0|1,0,0]=4 44746 B12R1.7 COCCCCN1CC[C@H](C1)C 34a_100016987628_100000755781 [0,2,0,1,0,0|1,0,0]=4 44747 B12R1.7 COCCCNC1CCC(C1)C 270004a_100150723488_100011215218 [0,2,0,1,0,0|1,0,0]=4 44748 B12R1.7 COCCCNC1CCC(C1)O 270004a_100150723488_100012614533 [0,2,0,1,0,0|1,0,0]=4 44749 B12R1.7 COCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000740836 [0,2,0,1,0,0|1,0,0]=4 44750 B12R1.7 COCCCOC1CCC(=O)C1 34a_100012614533_100000740836 [0,2,0,1,0,0|0,0,1]=4 44751 B12R1.7 COCCCOC1CCC(C1)C 34a_100000698185_100000740836 [0,2,0,1,0,0|0,0,0]=3 44752 B12R1.7 COCCOCC1CCN(C1)C 34a_100000210237_200000690779 [0,2,0,1,0,0|1,0,0]=4 44753 B12R1.7 COCCOCN1CCC(C1)O 2230a_100011215560_100000231047 [0,2,0,1,0,0|1,0,0]=4 44754 B12R1.7 COCCOCN1CCC(C1)O 269982a_100011215560_100000231047 [0,2,0,1,0,0|1,0,0]=4 44755 B12R1.7 COCCOCN1CC[C@@H](C1)F 2230a_100015203821_100000231047 [0,2,0,1,0,0|1,0,0]=4 44756 B12R1.7 COCCOCN1CC[C@@H](C1)F 269982a_100015203821_100000231047 [0,2,0,1,0,0|1,0,0]=4 44757 B12R1.7 COCCOCN1CC[C@H](C1)C 2230a_100016987628_100000231047 [0,2,0,1,0,0|1,0,0]=4 44758 B12R1.7 COCCOCN1CC[C@H](C1)C 269982a_100016987628_100000231047 [0,2,0,1,0,0|1,0,0]=4 44759 B12R1.7 COCCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100011201679 [0,2,0,1,0,0|1,0,0]=4 44760 B12R1.7 CSCCCNC1CCC(C1)C 270004a_100000749238_100011215218 [0,2,0,1,0,0|1,0,0]=4 44761 B12R1.7 CSCCCNC1CCC(C1)O 270004a_100000749238_100012614533 [0,2,0,1,0,0|1,0,0]=4 44762 B12R1.7 CSCCCOC1CCN(C1)C 7a_100000690336_200012183744 [0,2,0,1,0,0|1,0,0]=4 44763 B12R1.7 CSCCOCC1CCN(C1)C 34a_100000230434_200000690779 [0,2,0,1,0,0|1,0,0]=4 44764 B12R1.7 CSCCOCC1CCN(C1)C 7a_100000230434_200000690779 [0,2,0,1,0,0|1,0,0]=4 44765 B12R1.7 CSCCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000212216 [0,2,0,1,0,0|1,0,0]=4 44766 B12R1.7 C[C@@H]1CCN(C1)CCCCCF 2230a_100016987628_100000729378 [0,2,0,1,0,0|1,0,0]=4 44767 B12R1.7 C[C@@H]1CCN(C1)CCCCCF 269982a_100016987628_100000729378 [0,2,0,1,0,0|1,0,0]=4 44768 B12R1.7 C[C@@H]1CCN(C1)CCCCCF 34a_100016987628_100000729378 [0,2,0,1,0,0|1,0,0]=4 44769 B12R1.7 C[C@@H]1CCN(C1)CCCCCO 2230a_100016987628_100000746330 [0,2,0,1,0,0|1,0,0]=4 44770 B12R1.7 C[C@@H]1CCN(C1)CCCCCO 269982a_100016987628_100000746330 [0,2,0,1,0,0|1,0,0]=4 44771 B12R1.7 C[C@@H]1CCN(C1)CCCCCO 34a_100016987628_100000746330 [0,2,0,1,0,0|1,0,0]=4 44772 B12R1.7 FCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000729378 [0,2,0,1,0,0|1,0,0]=4 44773 B12R1.7 FCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000729378 [0,2,0,1,0,0|1,0,0]=4 44774 B12R1.7 FCCCCCN1CC[C@@H](C1)F 34a_100015203821_100000729378 [0,2,0,1,0,0|1,0,0]=4 44775 B12R1.7 FCCCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100011934791 [0,2,0,1,0,0|1,0,0]=4 44776 B12R1.7 O=C1CCC(C1)OCCCCF 34a_100012614533_100000729493 [0,2,0,1,0,0|0,0,1]=4 44777 B12R1.7 O=C1CCC(C1)OCCCCO 34a_100012614533_100011216708 [0,2,0,1,0,0|0,0,1]=4 44778 B12R1.7 OC1CCN(C1)CCCCCF 2230a_100011215560_100000729378 [0,2,0,1,0,0|1,0,0]=4 44779 B12R1.7 OC1CCN(C1)CCCCCF 269982a_100011215560_100000729378 [0,2,0,1,0,0|1,0,0]=4 44780 B12R1.7 OCCCCCN1CCC(C1)O 2230a_100011215560_100000746330 [0,2,0,1,0,0|1,0,0]=4 44781 B12R1.7 OCCCCCN1CCC(C1)O 269982a_100011215560_100000746330 [0,2,0,1,0,0|1,0,0]=4 44782 B12R1.7 OCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000746330 [0,2,0,1,0,0|1,0,0]=4 44783 B12R1.7 OCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000746330 [0,2,0,1,0,0|1,0,0]=4 44784 B12R1.7 OCCCCCN1CC[C@@H](C1)F 34a_100015203821_100000746330 [0,2,0,1,0,0|1,0,0]=4 44785 B12R1.7 OCCCCNC1CCC(C1)O 270004a_100000750430_100012614533 [0,2,0,1,0,0|1,0,0]=4 44786 B12R1.7 OCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210776 [0,2,0,1,0,0|1,0,0]=4 44787 B12R1.7 OCCCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000230001 [0,2,0,1,0,0|1,0,0]=4 44788 B12R1.7 O[C@@H]1CC[C@@H](C1)NCCCCF 2230a_100015195300_100000729493 [0,2,0,1,0,0|1,0,0]=4 44789 B12R1.100 CCCCN1CC(CC(C1)C)C 2230a_100000210448_100000210211 [0,2,0,1,0,0|1,0,0]=4 44790 B12R1.100 CCCCN1CC(CC(C1)C)C 269982a_100000210448_100000210211 [0,2,0,1,0,0|1,0,0]=4 44791 B12R1.100 CCCCN1CC(CC(C1)C)C 34a_100000210448_100000210210 [0,2,0,1,0,0|1,0,0]=4 44792 B12R1.107 CC(C)CC(=O)C1CCCCO1 1458a_100000748299_100000210624 [0,2,0,1,0,0|0,0,1]=4 44793 B12R1.107 CC(O)CC(=O)C1CCCCO1 1458a_100000748299_100011218427 [0,2,0,1,0,0|0,0,1]=4 44794 B12R1.142 CC(C)CC(C)OCC1CC1C 34a_100000744939_100000731052 [0,2,0,1,0,0|0,0,0]=3 44795 B12R1.142 CC(C)CC(C)OCC1CC1C 7a_100000744939_100000731052 [0,2,0,1,0,0|0,0,0]=3 44796 B12R1.144 CC(C)CC(C)N1CCC[C@@H]1C 2230a_100020605311_100000731052 [0,2,0,1,0,0|1,0,0]=4 44797 B12R1.144 CC(C)CC(C)N1CCC[C@@H]1C 269982a_100020605311_100000731052 [0,2,0,1,0,0|1,0,0]=4 44798 B12R1.144 CC(C)CC(C)N1CCC[C@H]1C 2230a_100015189458_100000731052 [0,2,0,1,0,0|1,0,0]=4 44799 B12R1.144 CC(C)CC(C)N1CCC[C@H]1C 269982a_100015189458_100000731052 [0,2,0,1,0,0|1,0,0]=4 44800 B12R1.144 CC(C)CC(C)N1CCC[C@H]1C 34a_100015189458_100000731052 [0,2,0,1,0,0|1,0,0]=4 44801 B12R1.260 CC(C)CC(C)NC1CCCC1 2230a_100000211070_100000731052 [0,2,0,1,0,0|1,0,0]=4 44802 B12R1.260 CC(C)CC(C)NC1CCCC1 2230a_100000692259_100000179811 [0,2,0,1,0,0|1,0,0]=4 44803 B12R1.260 CC(C)CC(C)NC1CCCC1 270004a_100000692259_100000210133 [0,2,0,1,0,0|1,0,0]=4 44804 B12R1.260 CC(C)CC(C)NC1CCCC1 34a_100000211070_100000731052 [0,2,0,1,0,0|1,0,0]=4 44805 B12R1.260 CC(C)CC(C)OC1CCCC1 34a_100000210269_100000731052 [0,2,0,1,0,0|0,0,0]=3 44806 B12R1.260 CC(C)CC(C)OC1CCCC1 34a_100000211805_100000179811 [0,2,0,1,0,0|0,0,0]=3 44807 B12R1.260 CC(C)CC(C)OC1CCCC1 7a_100000210269_100000731052 [0,2,0,1,0,0|0,0,0]=3 44808 B12R1.260 CC(C)CC(C)OC1CCCC1 7a_100000211805_100000179811 [0,2,0,1,0,0|0,0,0]=3 44809 B12R1.260 CC(C)CC(C)OC1CCCO1 34a_100000085407_100000731052 [0,2,0,1,0,0|1,0,0]=4 44810 B12R1.260 CC(C)CC(C)OC1CCOC1 34a_100000211805_100000690089 [0,2,0,1,0,0|1,0,0]=4 44811 B12R1.260 CC(C)CC(C)OC1CCOC1 7a_100000211805_100000731011 [0,2,0,1,0,0|1,0,0]=4 44812 B12R1.260 CC(C)CC(C)OC1CCSC1 7a_100011232664_100000731052 [0,2,0,1,0,0|1,0,0]=4 44813 B12R1.260 CC(C)CC(C)O[C@H]1CCOC1 34a_100000717292_100000731052 [0,2,0,1,0,0|1,0,0]=4 44814 B12R1.260 CC(C)CC(C)SC1CCCC1 62a_100000731052_100000179811 [0,2,0,1,0,0|0,1,0]=4 44815 B12R1.260 CC(C)CC(C)SC1CCCC1 62a_100011217020_100000731052 [0,2,0,1,0,0|0,1,0]=4 44816 B12R1.332 CCCCN1CC(C1)CC(C)C 2230a_214813039686_100000210211 [0,2,0,1,0,0|1,0,0]=4 44817 B12R1.332 CCCCN1CC(C1)CC(C)C 269982a_214813039686_100000210211 [0,2,0,1,0,0|1,0,0]=4 44818 B12R1.332 CCCCN1CC(C1)CC(C)C 34a_214813039686_100000210210 [0,2,0,1,0,0|1,0,0]=4 44819 B12R1.563 CC(CC1CC1)NCCCCO 270004a_100000750430_200000686933 [0,2,0,1,0,0|1,0,0]=4 44820 B12R1.563 CCCCCCC(=O)CC1CC1 1458a_100000738066_100000210757 [0,2,0,1,0,0|1,0,0]=4 44821 B12R1.563 CCCCCCC(=O)CC1CC1 1458a_100102632555_100000742324 [0,2,0,1,0,0|1,0,0]=4 44822 B12R1.563 CCCCCCC(C)NC1CC1 34a_100000210919_100000211595 [0,2,0,1,0,0|1,0,0]=4 44823 B12R1.563 CCCCCCC(C)NC1CC1 34a_100000212008_100011215978 [0,2,0,1,0,0|1,0,0]=4 44824 B12R1.563 CCCCCCC(C)OC1CC1 34a_100000210265_100000211595 [0,2,0,1,0,0|1,0,0]=4 44825 B12R1.563 CCCCCCC(C)SC1CC1 62a_100011215978_100000211595 [0,2,0,1,0,0|1,0,0]=4 44826 B12R1.563 CCCCCCN(C)CC1CC1 2230a_100000741881_100000210314 [0,2,0,1,0,0|1,0,0]=4 44827 B12R1.563 CCCCCCN(C)CC1CC1 2230a_106256046315_100000742324 [0,2,0,1,0,0|1,0,0]=4 44828 B12R1.563 CCCCCCN(C)CC1CC1 269982a_100000741881_100000210757 [0,2,0,1,0,0|1,0,0]=4 44829 B12R1.563 CCCCCCN(C)CC1CC1 269982a_106256046315_100000756562 [0,2,0,1,0,0|1,0,0]=4 44830 B12R1.563 CCCCCNC(=O)CC1CC1 11a_100000209983_100000738066 [0,2,0,1,0,0|1,0,0]=4 44831 B12R1.563 CCCCCNC(=O)CC1CC1 1626a_100000209983_100000738066 [0,2,0,1,0,0|1,0,0]=4 44832 B12R1.563 CCCCCNC(=O)CC1CC1 240690a_100000209983_100000738066 [0,2,0,1,0,0|1,0,0]=4 44833 B12R1.563 CCCCCNC(=O)CC1CC1 527a_100000209983_100000738066 [0,2,0,1,0,0|1,0,0]=4 44834 B12R1.563 CCCCCNC(C)CC1CC1 270004a_100000209983_200000686933 [0,2,0,1,0,0|1,0,0]=4 44835 B12R1.563 CCCCOCC(=O)CC1CC1 1458a_100000738066_100011995733 [0,2,0,1,0,0|0,0,0]=3 44836 B12R1.563 CCCCOCC(=O)CC1CC1 1458a_100000757543_100000742324 [0,2,0,1,0,0|0,0,0]=3 44837 B12R1.563 CCCCOCC(=O)CC1CO1 1458a_100000757543_100011216344 [0,2,0,1,0,0|0,0,1]=4 44838 B12R1.563 CCCCOCC(=O)CC1CS1 1458a_100000757543_100000031435 [0,2,0,1,0,0|0,0,1]=4 44839 B12R1.563 CCCCOCC(=O)C[C@@H]1CO1 1458a_100000757543_100000745022 [0,2,0,1,0,0|0,0,1]=4 44840 B12R1.563 CCCCOCC(=O)NC1CC1 1626a_100000212008_100000757543 [0,2,0,1,0,0|0,0,1]=4 44841 B12R1.563 CCCCOCC(=O)NC1CC1 240690a_100000212008_100000757543 [0,2,0,1,0,0|0,0,1]=4 44842 B12R1.563 CCCCOCC(=O)NC1CC1 34a_100000210227_100000182950 [0,2,0,1,0,0|0,0,1]=4 44843 B12R1.563 CCCCOCC(=O)NC1CC1 527a_100000212008_100000757543 [0,2,0,1,0,0|0,0,1]=4 44844 B12R1.563 CCCCOCC(=O)NC1CC1 7a_100000210227_100000182950 [0,2,0,1,0,0|0,0,1]=4 44845 B12R1.563 CCCCOCC(C)OC1CC1 34a_100011217071_100000211595 [0,2,0,1,0,0|0,0,0]=3 44846 B12R1.563 CCCCOCN(C)CC1CC1 2230a_100000741881_100011995733 [0,2,0,1,0,0|0,0,0]=3 44847 B12R1.563 CCCCOCN(C)CC1CC1 269982a_100000741881_100011995733 [0,2,0,1,0,0|0,0,0]=3 44848 B12R1.563 CCCCSCC(=O)CC1CC1 1458a_100000191162_100000742324 [0,2,0,1,0,0|0,1,0]=4 44849 B12R1.563 CCCOCCC(=O)CC1CC1 1458a_100000738066_100011215938 [0,2,0,1,0,0|1,0,0]=4 44850 B12R1.563 CCCOCCN(C)CC1CC1 2230a_100000741881_100011215938 [0,2,0,1,0,0|1,0,0]=4 44851 B12R1.563 CCCOCCN(C)CC1CC1 269982a_100000741881_100011215938 [0,2,0,1,0,0|1,0,0]=4 44852 B12R1.563 CCOCCCC(=O)CC1CC1 1458a_100000738066_100012232248 [0,2,0,1,0,0|1,0,0]=4 44853 B12R1.563 CCOCCCN(C)CC1CC1 2230a_100000741881_100012232248 [0,2,0,1,0,0|1,0,0]=4 44854 B12R1.563 CCOCCCN(C)CC1CC1 269982a_100000741881_100012232248 [0,2,0,1,0,0|1,0,0]=4 44855 B12R1.563 CCOCCNC(C)CC1CC1 270004a_102516460346_200000686933 [0,2,0,1,0,0|1,0,0]=4 44856 B12R1.563 CCSCCNC(C)CC1CC1 270004a_100000106463_200000686933 [0,2,0,1,0,0|1,0,0]=4 44857 B12R1.563 CN(CCCCCF)CC1CC1 2230a_100000741881_100000729378 [0,2,0,1,0,0|1,0,0]=4 44858 B12R1.563 CN(CCCCCF)CC1CC1 269982a_100000741881_100000729378 [0,2,0,1,0,0|1,0,0]=4 44859 B12R1.563 CN(CCCCCO)CC1CC1 2230a_100000722520_100000742324 [0,2,0,1,0,0|1,0,0]=4 44860 B12R1.563 CN(CCCCCO)CC1CC1 2230a_100000741881_100000746330 [0,2,0,1,0,0|1,0,0]=4 44861 B12R1.563 CN(CCCCCO)CC1CC1 269982a_100000722520_100000756562 [0,2,0,1,0,0|1,0,0]=4 44862 B12R1.563 CN(CCCCCO)CC1CC1 269982a_100000741881_100000746330 [0,2,0,1,0,0|1,0,0]=4 44863 B12R1.563 COCCCCC(=O)CC1CC1 1458a_100000738066_100000755781 [0,2,0,1,0,0|1,0,0]=4 44864 B12R1.563 COCCCCN(C)CC1CC1 2230a_100000741881_100000730899 [0,2,0,1,0,0|1,0,0]=4 44865 B12R1.563 COCCCCN(C)CC1CC1 269982a_100000741881_100000730899 [0,2,0,1,0,0|1,0,0]=4 44866 B12R1.563 COCCCNC(C)CC1CC1 270004a_100150723488_200000686933 [0,2,0,1,0,0|1,0,0]=4 44867 B12R1.563 COCCOCC(=O)CC1CC1 1458a_100000211095_100000742324 [0,2,0,1,0,0|1,0,0]=4 44868 B12R1.563 COCCOCN(C)CC1CC1 2230a_100000741881_100000231047 [0,2,0,1,0,0|1,0,0]=4 44869 B12R1.563 COCCOCN(C)CC1CC1 269982a_100000741881_100000231047 [0,2,0,1,0,0|1,0,0]=4 44870 B12R1.563 CSCCCNC(C)CC1CC1 270004a_100000749238_200000686933 [0,2,0,1,0,0|1,0,0]=4 44871 B12R1.563 O=C(CCCCCF)CC1CC1 1458a_100000738066_100000729378 [0,2,0,1,0,0|1,0,0]=4 44872 B12R1.563 O=C(CCCCCO)CC1CC1 1458a_100000738066_100000746330 [0,2,0,1,0,0|1,0,0]=4 44873 B12R1.563 O=C(CCCCCO)CC1CC1 1458a_100102619762_100000742324 [0,2,0,1,0,0|1,0,0]=4 44874 B12R1.971 CCCCOCC1(CC1(F)F)C 7a_100011028592_100000210211 [0,2,0,1,0,0|1,0,0]=4 44875 B12R1.1376 CC(C)CC(C)NCC1CCC1 2230a_100000692259_100000763275 [0,2,0,1,0,0|1,0,0]=4 44876 B12R1.1376 CC(C)CC(C)NCC1CCC1 2230a_100000738700_100000731052 [0,2,0,1,0,0|1,0,0]=4 44877 B12R1.1376 CC(C)CC(C)NCC1CCC1 269862a_100000692259_100000753134 [0,2,0,1,0,0|1,0,0]=4 44878 B12R1.1376 CC(C)CC(C)NCC1CCC1 34a_100000738700_100000731052 [0,2,0,1,0,0|1,0,0]=4 44879 B12R1.1376 CC(C)CC(C)OCC1CCC1 34a_100000211805_100000763275 [0,2,0,1,0,0|0,0,0]=3 44880 B12R1.1376 CC(C)CC(C)OCC1CCC1 34a_100000760304_100000731052 [0,2,0,1,0,0|0,0,0]=3 44881 B12R1.1376 CC(C)CC(C)OCC1CCC1 7a_100000211805_100000763275 [0,2,0,1,0,0|0,0,0]=3 44882 B12R1.1376 CC(C)CC(C)OCC1CCO1 34a_100000039022_100000731052 [0,2,0,1,0,0|1,0,0]=4 44883 B12R1.1376 CC(C)CC(C)OCC1CCO1 34a_100000211805_100000103362 [0,2,0,1,0,0|1,0,0]=4 44884 B12R1.1376 CC(C)CC(C)OCC1CCO1 7a_100000211805_100000103362 [0,2,0,1,0,0|1,0,0]=4 44885 B12R1.1376 CC(C)CC(C)OCC1CNC1 34a_100016987283_100000731052 [0,2,0,1,0,0|1,0,0]=4 44886 B12R1.1376 CC(C)CC(C)OCC1COC1 34a_100000060846_100000731052 [0,2,0,1,0,0|1,0,0]=4 44887 B12R1.1376 CC(C)CC(C)OCC1COC1 34a_100000211805_100010264016 [0,2,0,1,0,0|1,0,0]=4 44888 B12R1.1376 CC(C)CC(C)OCC1COC1 7a_100000211805_100010264016 [0,2,0,1,0,0|1,0,0]=4 44889 B12R1.1376 CC(C)CC(C)SCC1CCC1 62a_100000731052_100000763275 [0,2,0,1,0,0|0,1,0]=4 44890 B12R1.1376 CC(C)CC(C)SCC1CCC1 62a_100000763275_100000731052 [0,2,0,1,0,0|0,1,0]=4 44891 B12R1.1376 CC(C)C[C@H](N)COC1CCC1 34a_100011830311_100000749161 [0,2,0,1,0,0|0,0,0]=3 44892 B12R1.1376 CC(C)C[C@H](N)COC1COC1 34a_100011830311_100009818527 [0,2,0,1,0,0|1,0,0]=4 44893 B12R1.1377 CC(C)CC(C)NCCC1CC1 2230a_100000692259_100000694398 [0,2,0,1,0,0|1,0,0]=4 44894 B12R1.1377 CC(C)CC(C)NCCC1CC1 34a_100000764129_100000731052 [0,2,0,1,0,0|1,0,0]=4 44895 B12R1.1377 CC(C)CC(C)OCCC1CC1 34a_100000211805_100000694398 [0,2,0,1,0,0|0,0,0]=3 44896 B12R1.1377 CC(C)CC(C)OCCC1CC1 34a_100000754188_100000731052 [0,2,0,1,0,0|0,0,0]=3 44897 B12R1.1377 CC(C)CC(C)OCCC1CC1 7a_100000211805_100000764125 [0,2,0,1,0,0|0,0,0]=3 44898 B12R1.1377 CC(C)CC(C)OCCC1CC1 7a_100000754188_100000731052 [0,2,0,1,0,0|0,0,0]=3 44899 B12R1.1377 CC(C)CC(C)OCCC1CO1 34a_100000211805_100000732470 [0,2,0,1,0,0|1,0,0]=4 44900 B12R1.1377 CC(C)CC(C)OCCC1CO1 7a_100000211805_100000732470 [0,2,0,1,0,0|1,0,0]=4 44901 B12R1.1377 CC(C)CC(C)OCC[C@@H]1CO1 34a_100009820653_100000731052 [0,2,0,1,0,0|1,0,0]=4 44902 B12R1.1377 CC(C)CC(C)SCCC1CC1 62a_100000731052_100000764125 [0,2,0,1,0,0|0,1,0]=4 44903 B12R1.1377 CC(C)CC(C)SCCC1CC1 62a_100000764125_100000731052 [0,2,0,1,0,0|0,1,0]=4 44904 B12R1.1377 CC(C)C[C@H](N)COCC1CC1 34a_100011830311_100000742324 [0,2,0,1,0,0|0,0,0]=3 44905 B12R1.1377 CC(C)C[C@H](N)COCC1CO1 34a_100011830311_102125554688 [0,2,0,1,0,0|1,0,0]=4 44906 B12R1.1392 CC(C)CN1CCCCCCC1 2230a_100000211400_100000210760 [0,2,0,1,0,0|1,0,0]=4 44907 B12R1.1392 CC(C)CN1CCCCCCC1 269982a_100000211400_100000210624 [0,2,0,1,0,0|1,0,0]=4 44908 B12R1.1392 CC(C)CN1CCCCCCC1 270004a_100000211400_100000210432 [0,2,0,1,0,0|1,0,0]=4 44909 B12R1.1392 CC(C)CN1CCCCCCC1 34a_100000211400_100000210624 [0,2,0,1,0,0|1,0,0]=4 44910 B12R1.1392 CC(C)NC1CCCCCCC1 2230a_100000211152_100000210206 [0,2,0,1,0,0|1,0,0]=4 44911 B12R1.1392 CC(C)NC1CCCCCCC1 34a_100000211152_100000210206 [0,2,0,1,0,0|1,0,0]=4 44912 B12R1.1392 CC(C)OC1CCCCCCC1 34a_100000210054_100000210206 [0,2,0,1,0,0|1,0,0]=4 44913 B12R1.1392 CC(C)OC1CCCCCCC1 7a_100000210054_100000210206 [0,2,0,1,0,0|1,0,0]=4 44914 B12R1.1392 CC(O)CN1CCCCCCC1 2230a_100000211400_100011218427 [0,2,0,1,0,0|1,0,0]=4 44915 B12R1.1392 CC(O)CN1CCCCCCC1 269982a_100000211400_100011218427 [0,2,0,1,0,0|1,0,0]=4 44916 B12R1.1392 CC(O)CN1CCCCCCC1 34a_100000211400_100011218427 [0,2,0,1,0,0|1,0,0]=4 44917 B12R1.1392 C[C@@H](O)CN1CCCCCCC1 2230a_100000211400_100009817552 [0,2,0,1,0,0|1,0,0]=4 44918 B12R1.1392 C[C@@H](O)CN1CCCCCCC1 269982a_100000211400_100009817552 [0,2,0,1,0,0|1,0,0]=4 44919 B12R1.1392 C[C@@H](O)CN1CCCCCCC1 34a_100000211400_100009817552 [0,2,0,1,0,0|1,0,0]=4 44920 B12R1.1760 CCCCCNC1CC(C1)(F)F 2230a_100000756238_100000210326 [0,2,0,1,0,0|1,0,0]=4 44921 B12R1.1760 CCCCCNC1CC(C1)(F)F 270004a_100000209983_100000144187 [0,2,0,1,0,0|1,0,0]=4 44922 B12R1.1760 CCCCCN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000210326 [0,2,0,1,0,0|1,0,0]=4 44923 B12R1.1760 CCCCCOC1CC(C1)(F)F 34a_100000144188_100000718602 [0,2,0,1,0,0|0,0,0]=3 44924 B12R1.1760 CCCCCOC1CC(C1)(F)F 34a_100000210253_100010741680 [0,2,0,1,0,0|0,0,0]=3 44925 B12R1.1760 CCCCCOC1CC(C1)(F)F 7a_100000210253_100010741680 [0,2,0,1,0,0|0,0,0]=3 44926 B12R1.1760 CCCCCOC1CS(=O)(=O)C1 34a_100000072295_100000718602 [0,2,0,1,0,0|1,0,0]=4 44927 B12R1.1760 CCCCCOC1CS(=O)(=O)C1 7a_100000072295_100000210326 [0,2,0,1,0,0|1,0,0]=4 44928 B12R1.1760 CCCCCSC1CC(C1)(F)F 62a_100010741680_100000210326 [0,2,0,1,0,0|0,1,0]=4 44929 B12R1.1760 CCCCNCC1CC(C1)(F)F 2230a_100000102301_100009886855 [0,2,0,1,0,0|1,0,0]=4 44930 B12R1.1760 CCCCNCC1CC(C1)(F)F 2230a_100000734121_100000210211 [0,2,0,1,0,0|1,0,0]=4 44931 B12R1.1760 CCCCNCC1CC(C1)(F)F 34a_100000734121_100000210210 [0,2,0,1,0,0|1,0,0]=4 44932 B12R1.1760 CCCCNCC1CC(C1)(F)F 7a_106832991798_100009886855 [0,2,0,1,0,0|1,0,0]=4 44933 B12R1.1760 CCCCNC[C@H]1C[C@@](C1)(C)O 2230a_100015257651_100000210211 [0,2,0,1,0,0|1,0,0]=4 44934 B12R1.1760 CCCCOCC1CC(C1)(F)F 34a_100000060036_100000210210 [0,2,0,1,0,0|0,0,0]=3 44935 B12R1.1760 CCCCOCC1CC(C1)(F)F 34a_100000210227_100009886855 [0,2,0,1,0,0|0,0,0]=3 44936 B12R1.1760 CCCCOCC1CC(C1)(F)F 7a_100000210227_100009886855 [0,2,0,1,0,0|0,0,0]=3 44937 B12R1.1760 CCCCOCN1CC(C1)(C)C 2230a_100000753659_100011995733 [0,2,0,1,0,0|1,0,0]=4 44938 B12R1.1760 CCCCOCN1CC(C1)(C)C 269982a_100000753659_100011995733 [0,2,0,1,0,0|1,0,0]=4 44939 B12R1.1760 CCCCOCN1CC(C1)(C)F 2230a_100000696199_100011995733 [0,2,0,1,0,0|1,0,0]=4 44940 B12R1.1760 CCCCOCN1CC(C1)(C)F 269982a_100000696199_100011995733 [0,2,0,1,0,0|1,0,0]=4 44941 B12R1.1760 CCCCOCN1CC(C1)(C)O 2230a_100000718560_100011995733 [0,2,0,1,0,0|1,0,0]=4 44942 B12R1.1760 CCCCOCN1CC(C1)(C)O 269982a_100000718560_100011995733 [0,2,0,1,0,0|1,0,0]=4 44943 B12R1.1760 CCCCOCN1CC(C1)(F)F 2230a_100000684464_100011995733 [0,2,0,1,0,0|1,0,0]=4 44944 B12R1.1760 CCCCOCN1CC(C1)(F)F 269982a_100000684464_100011995733 [0,2,0,1,0,0|1,0,0]=4 44945 B12R1.1760 CCCCSCC1CC(C1)(F)F 62a_100000210211_100009886855 [0,2,0,1,0,0|0,1,0]=4 44946 B12R1.1760 CCCCSCC1CC(C1)(F)F 62a_100009886855_100000210210 [0,2,0,1,0,0|0,1,0]=4 44947 B12R1.1760 CCOCCOC1CC(C1)(F)F 34a_100000144188_100000210147 [0,2,0,1,0,0|1,0,0]=4 44948 B12R1.1760 CCOCCOC1CC(C1)(F)F 34a_100000210136_100010741680 [0,2,0,1,0,0|1,0,0]=4 44949 B12R1.1760 CCOCCOC1CC(C1)(F)F 7a_100000210136_100010741680 [0,2,0,1,0,0|1,0,0]=4 44950 B12R1.1760 CCSCCOC1CC(C1)(F)F 34a_100000144188_100000757381 [0,2,0,1,0,0|1,0,0]=4 44951 B12R1.1760 CCSCCOC1CC(C1)(F)F 34a_100000212035_100010741680 [0,2,0,1,0,0|1,0,0]=4 44952 B12R1.1760 CCSCCOC1CC(C1)(F)F 7a_100000212035_100010741680 [0,2,0,1,0,0|1,0,0]=4 44953 B12R1.1760 CNCCCOC1CC(C1)(F)F 34a_100000213112_100010741680 [0,2,0,1,0,0|1,0,0]=4 44954 B12R1.1760 COCCCOC1CC(C1)(F)F 34a_100000144188_100000740836 [0,2,0,1,0,0|1,0,0]=4 44955 B12R1.1760 COCCCOC1CC(C1)(F)F 34a_100000740835_100010741680 [0,2,0,1,0,0|1,0,0]=4 44956 B12R1.1760 COCCOCC1CC(C1)(F)F 34a_100000060036_100011201679 [0,2,0,1,0,0|1,0,0]=4 44957 B12R1.1760 COCCOCC1CC(C1)(F)F 34a_100000210237_100009886855 [0,2,0,1,0,0|1,0,0]=4 44958 B12R1.1760 CSCCCOC1CC(C1)(F)F 34a_100000690336_100010741680 [0,2,0,1,0,0|1,0,0]=4 44959 B12R1.1760 CSCCCOC1CC(C1)(F)F 7a_100000690336_100010741680 [0,2,0,1,0,0|1,0,0]=4 44960 B12R1.1760 CSCCOCC1CC(C1)(F)F 34a_100000060036_100000212216 [0,2,0,1,0,0|1,0,0]=4 44961 B12R1.1760 CSCCOCC1CC(C1)(F)F 34a_100000230434_100009886855 [0,2,0,1,0,0|1,0,0]=4 44962 B12R1.1760 CSCCOCC1CC(C1)(F)F 7a_100000230434_100009886855 [0,2,0,1,0,0|1,0,0]=4 44963 B12R1.1760 FC1(CC(C1)COCCCBr)F 34a_100011217188_100009886855 [0,2,0,1,0,0|1,0,0]=4 44964 B12R1.1760 FC1(CC(C1)COCCCCl)F 34a_100000230001_100009886855 [0,2,0,1,0,0|1,0,0]=4 44965 B12R1.1760 FC1(CC(C1)OCCCCBr)F 34a_100011216708_100010741680 [0,2,0,1,0,0|1,0,0]=4 44966 B12R1.1760 FC1(CC(C1)OCCCCCl)F 34a_100000210776_100010741680 [0,2,0,1,0,0|1,0,0]=4 44967 B12R1.1760 FC1(CC(C1)OCCCCCl)F 7a_100000210776_100010741680 [0,2,0,1,0,0|1,0,0]=4 44968 B12R1.1760 FC1(CC(C1)OCCCCI)F 34a_200012148704_100010741680 [0,2,0,1,0,0|1,0,0]=4 44969 B12R1.1760 FCCCCOC1CC(C1)(F)F 34a_100000144188_100000729493 [0,2,0,1,0,0|1,0,0]=4 44970 B12R1.1760 FCCCCOC1CC(C1)(F)F 34a_100011995726_100010741680 [0,2,0,1,0,0|1,0,0]=4 44971 B12R1.1760 FCCCCOC1CC(C1)(F)F 7a_100011995726_100010741680 [0,2,0,1,0,0|1,0,0]=4 44972 B12R1.1760 FCCCOCC1CC(C1)(F)F 34a_100000060036_100011934791 [0,2,0,1,0,0|1,0,0]=4 44973 B12R1.1760 FCCCOCC1CC(C1)(F)F 34a_100000759539_100009886855 [0,2,0,1,0,0|1,0,0]=4 44974 B12R1.1760 NCCCCOC1CC(C1)(F)F 34a_100000750430_100010741680 [0,2,0,1,0,0|1,0,0]=4 44975 B12R1.1760 NCCCOCC1CC(C1)(F)F 34a_100000182051_100009886855 [0,2,0,1,0,0|1,0,0]=4 44976 B12R1.1760 OCCCCOC1CC(C1)(F)F 34a_100000144188_100011216708 [0,2,0,1,0,0|1,0,0]=4 44977 B12R1.1760 OCCCOCC1CC(C1)(F)F 34a_100000060036_100000230001 [0,2,0,1,0,0|1,0,0]=4 44978 B12R1.2563 CC1CC1C(=O)CCCCCF 1458a_100000211227_100000729378 [0,2,0,1,0,0|1,0,0]=4 44979 B12R1.2563 CC1CC1C(=O)CCCCCO 1458a_100000211227_100000746330 [0,2,0,1,0,0|1,0,0]=4 44980 B12R1.2563 CCCCCCC(=O)C1CC1C 1458a_100000211227_100000210757 [0,2,0,1,0,0|1,0,0]=4 44981 B12R1.2563 CCCCCNC(=O)C1CC1C 11a_100000209983_100000211227 [0,2,0,1,0,0|1,0,0]=4 44982 B12R1.2563 CCCCCNC(=O)C1CC1C 1626a_100000209983_100000211227 [0,2,0,1,0,0|1,0,0]=4 44983 B12R1.2563 CCCCCNC(=O)C1CC1C 527a_100000209983_100000211227 [0,2,0,1,0,0|1,0,0]=4 44984 B12R1.2563 CCCCOCC(=O)C1CC1C 1458a_100000211227_100011995733 [0,2,0,1,0,0|0,0,0]=3 44985 B12R1.2563 CCCCOCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011995733 [0,2,0,1,0,0|0,0,1]=4 44986 B12R1.2563 CCCOCCC(=O)C1CC1C 1458a_100000211227_100011215938 [0,2,0,1,0,0|1,0,0]=4 44987 B12R1.2563 CCOCCCC(=O)C1CC1C 1458a_100000211227_100012232248 [0,2,0,1,0,0|1,0,0]=4 44988 B12R1.2563 COCCCCC(=O)C1CC1C 1458a_100000211227_100000755781 [0,2,0,1,0,0|1,0,0]=4 44989 B12R1.28 CC1=CC(CCC1)OCCCF 34a_100011218613_100011934791 [0,2,0,1,0,0|1,0,0]=4 44990 B12R1.28 CC1=CC(CCC1)OCCCO 34a_100011218613_100000230001 [0,2,0,1,0,0|1,0,0]=4 44991 B12R1.28 CC1CC(CCO1)OCCCF 34a_100011986385_100011934791 [0,2,0,1,0,0|1,0,0]=4 44992 B12R1.28 CC1CC(CCO1)OCCCF 7a_100011986385_100011934791 [0,2,0,1,0,0|1,0,0]=4 44993 B12R1.28 CC1CC(CCO1)OCCCO 34a_100011986385_100000230001 [0,2,0,1,0,0|1,0,0]=4 44994 B12R1.28 CC1CC(CCO1)OCCCO 7a_100011986385_100011215043 [0,2,0,1,0,0|1,0,0]=4 44995 B12R1.28 CC1CCCC(C1)OCCCF 34a_100000211399_100011934791 [0,2,0,1,0,0|1,0,0]=4 44996 B12R1.28 CC1CCCC(C1)OCCCO 34a_100000211399_100000230001 [0,2,0,1,0,0|1,0,0]=4 44997 B12R1.28 CCCCCN1CCCC(C1)F 2230a_100000697950_100000210326 [0,2,0,1,0,0|1,0,0]=4 44998 B12R1.28 CCCCCN1CCCC(C1)F 269982a_100000697950_100000210215 [0,2,0,1,0,0|1,0,0]=4 44999 B12R1.28 CCCCCN1CCCC(C1)F 34a_100000697950_100000718602 [0,2,0,1,0,0|1,0,0]=4 45000 B12R1.28 CCCCCN1CCCC(C1)O 2230a_100000211013_100000210326 [0,2,0,1,0,0|1,0,0]=4 45001 B12R1.28 CCCCCN1CCCC(C1)O 269982a_100000211013_100000210215 [0,2,0,1,0,0|1,0,0]=4 45002 B12R1.28 CCCCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210326 [0,2,0,1,0,0|1,0,0]=4 45003 B12R1.28 CCCCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210215 [0,2,0,1,0,0|1,0,0]=4 45004 B12R1.28 CCCCCN1CCC[C@@H](C1)C 34a_100000717927_100000718602 [0,2,0,1,0,0|1,0,0]=4 45005 B12R1.28 CCCCCN1CCOC(C1)C 2230a_100000729577_100000210326 [0,2,0,1,0,0|1,0,0]=4 45006 B12R1.28 CCCCCN1CCOC(C1)C 269982a_100000729577_100000210215 [0,2,0,1,0,0|1,0,0]=4 45007 B12R1.28 CCCCCN1CCOC(C1)C 34a_100000729577_100000718602 [0,2,0,1,0,0|1,0,0]=4 45008 B12R1.28 CCCCCN1CCOC(C1)O 2230a_100000688207_100000210326 [0,2,0,1,0,0|1,0,0]=4 45009 B12R1.28 CCCCCN1CCOC(C1)O 269982a_100000688207_100000210215 [0,2,0,1,0,0|1,0,0]=4 45010 B12R1.28 CCCCNC1CCCC(C1)C 2230a_100011194320_100000210211 [0,2,0,1,0,0|1,0,0]=4 45011 B12R1.28 CCCCNC1CCCC(C1)C 270004a_100000102301_100000183594 [0,2,0,1,0,0|1,0,0]=4 45012 B12R1.28 CCCCNC1CCCC(C1)C 34a_100011194320_100000210210 [0,2,0,1,0,0|1,0,0]=4 45013 B12R1.28 CCCCNC1CCCC(C1)O 2230a_100015190357_100000210211 [0,2,0,1,0,0|1,0,0]=4 45014 B12R1.28 CCCCNC1CCCC(C1)O 270004a_100000102301_100012613340 [0,2,0,1,0,0|1,0,0]=4 45015 B12R1.28 CCCCNC1CCN[C@@H](C1)C 270004a_100000102301_100016994030 [0,2,0,1,0,0|1,0,0]=4 45016 B12R1.28 CCCCNC1CCOC(C1)C 270004a_100000102301_100000755752 [0,2,0,1,0,0|1,0,0]=4 45017 B12R1.28 CCCCOC1C=C(CCC1)C 34a_100011218613_100000210210 [0,2,0,1,0,0|0,0,0]=3 45018 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [0,2,0,1,0,0|0,0,0]=3 45019 B12R1.28 CCCCOC1CCCC(C1)C 34a_100000211399_100000210210 [0,2,0,1,0,0|0,0,0]=3 45020 B12R1.28 CCCCOC1CCOC(C1)C 34a_100011986385_100000210210 [0,2,0,1,0,0|0,0,0]=3 45021 B12R1.28 CCCCOC1CCOC(C1)C 7a_100011986385_100000210211 [0,2,0,1,0,0|0,0,0]=3 45022 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210210 [0,2,0,1,0,0|0,0,1]=4 45023 B12R1.28 CCCNCC1CCCC(C1)O 2230a_100011254705_100000210303 [0,2,0,1,0,0|1,0,0]=4 45024 B12R1.28 CCNCCN1CCCC(C1)C 2230a_100000739826_100000210202 [0,2,0,1,0,0|1,0,0]=4 45025 B12R1.28 CCNCCN1CCCC(C1)C 2230a_100015525214_100000766211 [0,2,0,1,0,0|1,0,0]=4 45026 B12R1.28 CCOCCN1CCCC(C1)C 34a_100121572206_100000766211 [0,2,0,1,0,0|1,0,0]=4 45027 B12R1.28 CCOCCN1CCCC(C1)F 2230a_100000697950_100011215890 [0,2,0,1,0,0|1,0,0]=4 45028 B12R1.28 CCOCCN1CCCC(C1)F 269982a_100000697950_100011215890 [0,2,0,1,0,0|1,0,0]=4 45029 B12R1.28 CCOCCN1CCCC(C1)F 34a_100000697950_100000210147 [0,2,0,1,0,0|1,0,0]=4 45030 B12R1.28 CCOCCN1CCCC(C1)O 2230a_100000211013_100011215890 [0,2,0,1,0,0|1,0,0]=4 45031 B12R1.28 CCOCCN1CCCC(C1)O 269982a_100000211013_100011215890 [0,2,0,1,0,0|1,0,0]=4 45032 B12R1.28 CCOCCN1CCC[C@@H](C1)C 2230a_100000717927_100011215890 [0,2,0,1,0,0|1,0,0]=4 45033 B12R1.28 CCOCCN1CCC[C@@H](C1)C 269982a_100000717927_100011215890 [0,2,0,1,0,0|1,0,0]=4 45034 B12R1.28 CCOCCN1CCC[C@@H](C1)C 34a_100000717927_100000210147 [0,2,0,1,0,0|1,0,0]=4 45035 B12R1.28 CCSCCN1CCCC(C1)C 62a_100000210202_100000766211 [0,2,0,1,0,0|1,0,0]=4 45036 B12R1.28 CCSCCN1CCCC(C1)F 2230a_100000697950_100000757381 [0,2,0,1,0,0|1,0,0]=4 45037 B12R1.28 CCSCCN1CCCC(C1)F 269982a_100000697950_100000757381 [0,2,0,1,0,0|1,0,0]=4 45038 B12R1.28 CCSCCN1CCCC(C1)F 34a_100000697950_100000757381 [0,2,0,1,0,0|1,0,0]=4 45039 B12R1.28 CCSCCN1CCCC(C1)O 2230a_100000211013_100000757381 [0,2,0,1,0,0|1,0,0]=4 45040 B12R1.28 CCSCCN1CCCC(C1)O 269982a_100000211013_100000757381 [0,2,0,1,0,0|1,0,0]=4 45041 B12R1.28 CCSCCN1CCC[C@@H](C1)C 2230a_100000717927_100000757381 [0,2,0,1,0,0|1,0,0]=4 45042 B12R1.28 CCSCCN1CCC[C@@H](C1)C 269982a_100000717927_100000757381 [0,2,0,1,0,0|1,0,0]=4 45043 B12R1.28 CCSCCN1CCC[C@@H](C1)C 34a_100000717927_100000757381 [0,2,0,1,0,0|1,0,0]=4 45044 B12R1.28 COCCCN1CCCC(C1)F 2230a_100000697950_100000740836 [0,2,0,1,0,0|1,0,0]=4 45045 B12R1.28 COCCCN1CCCC(C1)F 269982a_100000697950_100000740836 [0,2,0,1,0,0|1,0,0]=4 45046 B12R1.28 COCCCN1CCCC(C1)F 34a_100000697950_100000740836 [0,2,0,1,0,0|1,0,0]=4 45047 B12R1.28 COCCCN1CCCC(C1)O 2230a_100000211013_100000740836 [0,2,0,1,0,0|1,0,0]=4 45048 B12R1.28 COCCCN1CCCC(C1)O 269982a_100000211013_100000740836 [0,2,0,1,0,0|1,0,0]=4 45049 B12R1.28 COCCCN1CCC[C@@H](C1)C 2230a_100000717927_100000740836 [0,2,0,1,0,0|1,0,0]=4 45050 B12R1.28 COCCCN1CCC[C@@H](C1)C 269982a_100000717927_100000740836 [0,2,0,1,0,0|1,0,0]=4 45051 B12R1.28 COCCCN1CCC[C@@H](C1)C 34a_100000717927_100000740836 [0,2,0,1,0,0|1,0,0]=4 45052 B12R1.28 COCCOC1C=C(CCC1)C 34a_100011218613_100011201679 [0,2,0,1,0,0|1,0,0]=4 45053 B12R1.28 COCCOC1CCCC(=O)C1 34a_100012613340_100011201679 [0,2,0,1,0,0|1,0,0]=4 45054 B12R1.28 COCCOC1CCCC(C1)C 34a_100000211399_100011201679 [0,2,0,1,0,0|1,0,0]=4 45055 B12R1.28 COCCOC1CCOC(C1)C 34a_100011986385_100011201679 [0,2,0,1,0,0|1,0,0]=4 45056 B12R1.28 COCCOC1CCOC(C1)C 7a_100011986385_100000233755 [0,2,0,1,0,0|1,0,0]=4 45057 B12R1.28 CSCCOC1C=C(CCC1)C 34a_100011218613_100000212216 [0,2,0,1,0,0|1,0,0]=4 45058 B12R1.28 CSCCOC1CCCC(=O)C1 34a_100012613340_100000212216 [0,2,0,1,0,0|1,0,0]=4 45059 B12R1.28 CSCCOC1CCCC(C1)C 34a_100000211399_100000212216 [0,2,0,1,0,0|1,0,0]=4 45060 B12R1.28 CSCCOC1CCOC(C1)C 34a_100011986385_100000212216 [0,2,0,1,0,0|1,0,0]=4 45061 B12R1.28 CSCCOC1CCOC(C1)C 7a_100011986385_100000212216 [0,2,0,1,0,0|1,0,0]=4 45062 B12R1.28 C[C@H]1CCCN(C1)CCCCF 2230a_100000717927_100000729493 [0,2,0,1,0,0|1,0,0]=4 45063 B12R1.28 C[C@H]1CCCN(C1)CCCCF 269982a_100000717927_100000729493 [0,2,0,1,0,0|1,0,0]=4 45064 B12R1.28 C[C@H]1CCCN(C1)CCCCF 34a_100000717927_100000729493 [0,2,0,1,0,0|1,0,0]=4 45065 B12R1.28 C[C@H]1CCCN(C1)CCCCO 2230a_100000717927_100000210776 [0,2,0,1,0,0|1,0,0]=4 45066 B12R1.28 C[C@H]1CCCN(C1)CCCCO 269982a_100000717927_100000210776 [0,2,0,1,0,0|1,0,0]=4 45067 B12R1.28 C[C@H]1CCCN(C1)CCCCO 34a_100000717927_100011216708 [0,2,0,1,0,0|1,0,0]=4 45068 B12R1.28 FCCCCN1CCCC(C1)F 2230a_100000697950_100000729493 [0,2,0,1,0,0|1,0,0]=4 45069 B12R1.28 FCCCCN1CCCC(C1)F 269982a_100000697950_100000729493 [0,2,0,1,0,0|1,0,0]=4 45070 B12R1.28 FCCCCN1CCCC(C1)F 34a_100000697950_100000729493 [0,2,0,1,0,0|1,0,0]=4 45071 B12R1.28 O=C1CCCC(C1)OCCCF 34a_100012613340_100011934791 [0,2,0,1,0,0|1,0,0]=4 45072 B12R1.28 O=C1CCCC(C1)OCCCO 34a_100012613340_100000230001 [0,2,0,1,0,0|1,0,0]=4 45073 B12R1.28 OC1CCCN(C1)CCCCF 2230a_100000211013_100000729493 [0,2,0,1,0,0|1,0,0]=4 45074 B12R1.28 OC1CCCN(C1)CCCCF 269982a_100000211013_100000729493 [0,2,0,1,0,0|1,0,0]=4 45075 B12R1.28 OCCCCN1CCCC(C1)F 2230a_100000697950_100000210776 [0,2,0,1,0,0|1,0,0]=4 45076 B12R1.28 OCCCCN1CCCC(C1)F 269982a_100000697950_100000210776 [0,2,0,1,0,0|1,0,0]=4 45077 B12R1.28 OCCCCN1CCCC(C1)F 34a_100000697950_100011216708 [0,2,0,1,0,0|1,0,0]=4 45078 B12R1.28 OCCCCN1CCCC(C1)O 2230a_100000211013_100000210776 [0,2,0,1,0,0|1,0,0]=4 45079 B12R1.28 OCCCCN1CCCC(C1)O 269982a_100000211013_100000210776 [0,2,0,1,0,0|1,0,0]=4 45080 B12R1.32 CC(CCBr)OC1CCCCC1 34a_100012276601_100000210327 [0,2,0,1,0,0|1,0,0]=4 45081 B12R1.32 CC(CCBr)OC1CCCOC1 34a_100012276601_100000693364 [0,2,0,1,0,0|1,0,0]=4 45082 B12R1.32 CC(CCBr)OC1CCSCC1 34a_100012276601_100000069128 [0,2,0,1,0,0|1,0,0]=4 45083 B12R1.32 CC(CCO)OC1CCCCC1 34a_100000210231_100009893172 [0,2,0,1,0,0|1,0,0]=4 45084 B12R1.32 CC(CCO)OC1CCCCC1 7a_100000210231_100009893172 [0,2,0,1,0,0|1,0,0]=4 45085 B12R1.32 CC(CCO)OC1CCCCO1 34a_100000033831_100009893172 [0,2,0,1,0,0|1,0,0]=4 45086 B12R1.32 CC(CCO)OC1CCCOC1 34a_100000754041_100009893172 [0,2,0,1,0,0|1,0,0]=4 45087 B12R1.32 CC(CCO)OC1CCCSC1 7a_100015962668_100009893172 [0,2,0,1,0,0|1,0,0]=4 45088 B12R1.32 CC(CCO)OC1CCOCC1 34a_100000744328_100009893172 [0,2,0,1,0,0|1,0,0]=4 45089 B12R1.32 CC(CCO)OC1CCSCC1 34a_100000731022_100009893172 [0,2,0,1,0,0|1,0,0]=4 45090 B12R1.32 CC(CCO)OC1CCSCC1 7a_100000731022_100009893172 [0,2,0,1,0,0|1,0,0]=4 45091 B12R1.32 CC(CO[13CH3])CN1CCCCC1 34a_200011934647_200025704644 [0,2,0,1,0,0|1,0,0]=4 45092 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211666_100000210303 [0,2,0,1,0,0|1,0,0]=4 45093 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211992_100000211423 [0,2,0,1,0,0|1,0,0]=4 45094 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000211992_100000211543 [0,2,0,1,0,0|0,0,0]=3 45095 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000238585_100000210303 [0,2,0,1,0,0|0,0,0]=3 45096 B12R1.32 CCCC(=O)CN1CCCCC1 1458a_100000740322_100000210303 [0,2,0,1,0,0|1,0,0]=4 45097 B12R1.32 CCCC(C)CN1CCCOC1 2230a_100000131196_100011216630 [0,2,0,1,0,0|1,0,0]=4 45098 B12R1.32 CCCC(C)CN1CCCOC1 269982a_100000131196_100011216630 [0,2,0,1,0,0|1,0,0]=4 45099 B12R1.32 CCCC(C)CN1CCCOC1 270004a_100000131196_100000243154 [0,2,0,1,0,0|1,0,0]=4 45100 B12R1.32 CCCC(C)CN1CCCOC1 34a_100000131196_100011216630 [0,2,0,1,0,0|1,0,0]=4 45101 B12R1.32 CCCC(C)CN1CCOCC1 2230a_100015191051_100011216630 [0,2,0,1,0,0|1,0,0]=4 45102 B12R1.32 CCCC(C)CN1CCOCC1 269982a_100015191051_100011216630 [0,2,0,1,0,0|1,0,0]=4 45103 B12R1.32 CCCC(C)CN1CCOCC1 270004a_100015191051_100000243154 [0,2,0,1,0,0|1,0,0]=4 45104 B12R1.32 CCCC(C)CN1CCOCC1 34a_100015191051_100011216630 [0,2,0,1,0,0|1,0,0]=4 45105 B12R1.32 CCCC(C)CN1CCSCC1 2230a_100000737611_100011216630 [0,2,0,1,0,0|1,0,0]=4 45106 B12R1.32 CCCC(C)CN1CCSCC1 269982a_100000737611_100011216630 [0,2,0,1,0,0|1,0,0]=4 45107 B12R1.32 CCCC(C)CN1CCSCC1 270004a_100000737611_100000243154 [0,2,0,1,0,0|1,0,0]=4 45108 B12R1.32 CCCC(C)NC1CCCCC1 2230a_100000182618_100000766640 [0,2,0,1,0,0|1,0,0]=4 45109 B12R1.32 CCCC(C)NC1CCCCC1 270004a_100000182618_100000211909 [0,2,0,1,0,0|1,0,0]=4 45110 B12R1.32 CCCC(C)NC1CCCCC1 270004a_100000741246_100000210434 [0,2,0,1,0,0|1,0,0]=4 45111 B12R1.32 CCCC(C)NC1CCCCC1 34a_100000182618_100000766640 [0,2,0,1,0,0|1,0,0]=4 45112 B12R1.32 CCCC(C)NC1CCCOC1 2230a_100000719290_100000766640 [0,2,0,1,0,0|1,0,0]=4 45113 B12R1.32 CCCC(C)NC1CCCOC1 270004a_100000719290_100000211909 [0,2,0,1,0,0|1,0,0]=4 45114 B12R1.32 CCCC(C)NC1CCCOC1 270004a_100000741246_100000753404 [0,2,0,1,0,0|1,0,0]=4 45115 B12R1.32 CCCC(C)NC1CCCOC1 34a_100000719290_100000766640 [0,2,0,1,0,0|1,0,0]=4 45116 B12R1.32 CCCC(C)NC1CCCSC1 270004a_100000741246_100000057913 [0,2,0,1,0,0|1,0,0]=4 45117 B12R1.32 CCCC(C)NC1CCNCC1 270004a_100000741246_100015192401 [0,2,0,1,0,0|1,0,0]=4 45118 B12R1.32 CCCC(C)NC1CCOCC1 2230a_100000741149_100000766640 [0,2,0,1,0,0|1,0,0]=4 45119 B12R1.32 CCCC(C)NC1CCOCC1 270004a_100000741149_100000211909 [0,2,0,1,0,0|1,0,0]=4 45120 B12R1.32 CCCC(C)NC1CCOCC1 270004a_100000741246_100011217826 [0,2,0,1,0,0|1,0,0]=4 45121 B12R1.32 CCCC(C)NC1CCOCC1 34a_100000741149_100000766640 [0,2,0,1,0,0|1,0,0]=4 45122 B12R1.32 CCCC(C)NC1CCSCC1 2230a_100000748639_100000766640 [0,2,0,1,0,0|1,0,0]=4 45123 B12R1.32 CCCC(C)NC1CCSCC1 270004a_100000741246_100000203788 [0,2,0,1,0,0|1,0,0]=4 45124 B12R1.32 CCCC(C)NC1CCSCC1 270004a_100000748639_100000211909 [0,2,0,1,0,0|1,0,0]=4 45125 B12R1.32 CCCC(C)NC1CCSCC1 34a_100000748639_100000766640 [0,2,0,1,0,0|1,0,0]=4 45126 B12R1.32 CCCC(C)OC1C=CCCC1 34a_100011215024_100000766640 [0,2,0,1,0,0|0,0,1]=4 45127 B12R1.32 CCCC(C)OC1C=CCCC1 7a_100000764384_100000751183 [0,2,0,1,0,0|0,0,1]=4 45128 B12R1.32 CCCC(C)OC1CC=CCC1 34a_100000073881_100000766640 [0,2,0,1,0,0|0,0,1]=4 45129 B12R1.32 CCCC(C)OC1CCCCC1 34a_100000210231_100000766640 [0,2,0,1,0,0|0,0,0]=3 45130 B12R1.32 CCCC(C)OC1CCCCC1 34a_100000764384_100000210327 [0,2,0,1,0,0|0,0,0]=3 45131 B12R1.32 CCCC(C)OC1CCCCC1 7a_100000210231_100000766640 [0,2,0,1,0,0|0,0,0]=3 45132 B12R1.32 CCCC(C)OC1CCCCC1 7a_100000764384_100000210327 [0,2,0,1,0,0|0,0,0]=3 45133 B12R1.32 CCCC(C)OC1CCCCO1 34a_100000033831_100000766640 [0,2,0,1,0,0|0,0,0]=3 45134 B12R1.32 CCCC(C)OC1CCCOC1 34a_100000754041_100000766640 [0,2,0,1,0,0|0,0,0]=3 45135 B12R1.32 CCCC(C)OC1CCCOC1 34a_100000764384_100000693364 [0,2,0,1,0,0|0,0,0]=3 45136 B12R1.32 CCCC(C)OC1CCCOC1 7a_100000764384_100000693364 [0,2,0,1,0,0|0,0,0]=3 45137 B12R1.32 CCCC(C)OC1CCCSC1 7a_100015962668_100000766640 [0,2,0,1,0,0|0,0,0]=3 45138 B12R1.32 CCCC(C)OC1CCOCC1 34a_100000744328_100000766640 [0,2,0,1,0,0|0,0,0]=3 45139 B12R1.32 CCCC(C)OC1CCOCC1 7a_100000764384_100000686592 [0,2,0,1,0,0|0,0,0]=3 45140 B12R1.32 CCCC(C)OC1CCSCC1 34a_100000731022_100000766640 [0,2,0,1,0,0|0,0,0]=3 45141 B12R1.32 CCCC(C)OC1CCSCC1 34a_100000764384_100000069128 [0,2,0,1,0,0|0,0,0]=3 45142 B12R1.32 CCCC(C)OC1CCSCC1 7a_100000731022_100000766640 [0,2,0,1,0,0|0,0,0]=3 45143 B12R1.32 CCCC(C)OC1CCSCC1 7a_100000764384_100011500858 [0,2,0,1,0,0|0,0,0]=3 45144 B12R1.32 CCCC(C)SC1CCCCC1 62a_100000210327_100000766640 [0,2,0,1,0,0|0,1,0]=4 45145 B12R1.32 CCCC(C)SC1CCCCC1 62a_100000766640_100000210327 [0,2,0,1,0,0|0,1,0]=4 45146 B12R1.32 CCCC(C)SC1CCCOC1 62a_100000766640_100000693364 [0,2,0,1,0,0|0,1,0]=4 45147 B12R1.32 CCCC(C)SC1CCOCC1 62a_100000766640_100011324220 [0,2,0,1,0,0|0,1,0]=4 45148 B12R1.32 CCCC(C)SC1CCSCC1 62a_100000766640_100000069128 [0,2,0,1,0,0|0,1,0]=4 45149 B12R1.32 CCCN(C)CC1CCCCC1 2230a_100000736448_100000210303 [0,2,0,1,0,0|1,0,0]=4 45150 B12R1.32 CCCN(C)CC1CCCCC1 2230a_100000743638_200000210301 [0,2,0,1,0,0|1,0,0]=4 45151 B12R1.32 CCCN(C)CC1CCCCC1 2230a_100000747261_100000211423 [0,2,0,1,0,0|1,0,0]=4 45152 B12R1.32 CCCN(C)CC1CCCCC1 269982a_100000736448_100000210303 [0,2,0,1,0,0|1,0,0]=4 45153 B12R1.32 CCCN(C)CC1CCCCC1 269982a_100000743638_200000210301 [0,2,0,1,0,0|1,0,0]=4 45154 B12R1.32 CCCN(C)CC1CCCCC1 269982a_100000747261_100000211423 [0,2,0,1,0,0|1,0,0]=4 45155 B12R1.32 CCCN(C)CC1CCCCC1 34a_100000736448_100000210303 [0,2,0,1,0,0|1,0,0]=4 45156 B12R1.32 CCCN(C)CC1CCCCC1 34a_100000743638_200000210301 [0,2,0,1,0,0|1,0,0]=4 45157 B12R1.32 CCCN(C)CC1CCCCO1 2230a_100000225654_100000210303 [0,2,0,1,0,0|0,0,0]=3 45158 B12R1.32 CCCN(C)CC1CCCCO1 2230a_100000747261_100000211543 [0,2,0,1,0,0|0,0,0]=3 45159 B12R1.32 CCCN(C)CC1CCCCO1 269982a_100000225654_100000210303 [0,2,0,1,0,0|0,0,0]=3 45160 B12R1.32 CCCN(C)CC1CCCCO1 269982a_100000747261_100000211543 [0,2,0,1,0,0|0,0,0]=3 45161 B12R1.32 CCCN(C)CC1CCCCO1 34a_100000225654_100000210303 [0,2,0,1,0,0|0,0,0]=3 45162 B12R1.32 CCCN(C)CC1COCCO1 2230a_100011398995_100000210303 [0,2,0,1,0,0|1,0,0]=4 45163 B12R1.32 CCCN(C)CC1COCCO1 269982a_100011398995_100000210303 [0,2,0,1,0,0|1,0,0]=4 45164 B12R1.32 CCCN(C)CC1COCCO1 34a_100011398995_100000210303 [0,2,0,1,0,0|1,0,0]=4 45165 B12R1.32 CCCN([13CH3])CC1CCCCC1 2230a_100000743638_200025704644 [0,2,0,1,0,0|1,0,0]=4 45166 B12R1.32 CCCN([13CH3])CC1CCCCC1 269982a_100000743638_200025704644 [0,2,0,1,0,0|1,0,0]=4 45167 B12R1.32 CCCN([13CH3])CC1CCCCC1 34a_100000743638_200025704644 [0,2,0,1,0,0|1,0,0]=4 45168 B12R1.32 CCNC(=O)CC1CCCCO1 11a_100015525214_100000238585 [0,2,0,1,0,0|0,0,1]=4 45169 B12R1.32 CCNC(=O)CC1CCCCO1 240690a_100015525214_100000238585 [0,2,0,1,0,0|0,0,1]=4 45170 B12R1.32 CCNC(=O)CC1CCCCO1 527a_100015525214_100000238585 [0,2,0,1,0,0|0,0,1]=4 45171 B12R1.32 CCNC(C)CC1CCCCC1 270004a_100015525214_100011215996 [0,2,0,1,0,0|1,0,0]=4 45172 B12R1.32 CCNC(C)CN1CCCCC1 2230a_100000738326_100000210202 [0,2,0,1,0,0|1,0,0]=4 45173 B12R1.32 CCSC(C)CN1CCCCC1 62a_100000210202_100009831500 [0,2,0,1,0,0|1,0,0]=4 45174 B12R1.32 CCSC(C)CN1CCCCC1 62a_100009831500_100000210202 [0,2,0,1,0,0|1,0,0]=4 45175 B12R1.32 CN(CCF)CC1CCCCO1 2230a_100000225654_100011217306 [0,2,0,1,0,0|1,0,0]=4 45176 B12R1.32 CN(CCF)CC1CCCCO1 269982a_100000225654_100011217306 [0,2,0,1,0,0|1,0,0]=4 45177 B12R1.32 CN(CCF)CC1CCCCO1 34a_100000225654_100011217306 [0,2,0,1,0,0|1,0,0]=4 45178 B12R1.32 CN(CCO)CC1CCCCO1 2230a_100000210263_100000211543 [0,2,0,1,0,0|1,0,0]=4 45179 B12R1.32 CN(CCO)CC1CCCCO1 2230a_100000225654_100000211926 [0,2,0,1,0,0|1,0,0]=4 45180 B12R1.32 CN(CCO)CC1CCCCO1 269982a_100000210263_100000211543 [0,2,0,1,0,0|1,0,0]=4 45181 B12R1.32 CN(CCO)CC1CCCCO1 269982a_100000225654_100000211926 [0,2,0,1,0,0|1,0,0]=4 45182 B12R1.32 CN(CCO)CC1CCCCO1 34a_100000225654_100000211926 [0,2,0,1,0,0|1,0,0]=4 45183 B12R1.32 CNC[C@H](O)CN1CCCCC1 2230a_100015205997_200000210301 [0,2,0,1,0,0|1,0,0]=4 45184 B12R1.32 COCC(=O)CC1CCCCO1 1458a_100000210968_100000211543 [0,2,0,1,0,0|0,0,1]=4 45185 B12R1.32 COCC(C)CN1CCCCC1 34a_200011934647_200000210301 [0,2,0,1,0,0|1,0,0]=4 45186 B12R1.32 COCC(C)OC1CCCCC1 34a_100000210231_100000765312 [0,2,0,1,0,0|1,0,0]=4 45187 B12R1.32 COCC(C)OC1CCCCC1 7a_100000210231_100000765312 [0,2,0,1,0,0|1,0,0]=4 45188 B12R1.32 COCC(C)OC1CCCCO1 34a_100000033831_100000765312 [0,2,0,1,0,0|1,0,0]=4 45189 B12R1.32 COCC(C)OC1CCCOC1 34a_100000754041_100000765312 [0,2,0,1,0,0|1,0,0]=4 45190 B12R1.32 COCC(C)OC1CCCSC1 7a_100015962668_100000765312 [0,2,0,1,0,0|1,0,0]=4 45191 B12R1.32 COCC(C)OC1CCOCC1 34a_100000744328_100000765312 [0,2,0,1,0,0|1,0,0]=4 45192 B12R1.32 COCC(C)OC1CCSCC1 34a_100000731022_100000765312 [0,2,0,1,0,0|1,0,0]=4 45193 B12R1.32 COCC(C)OC1CCSCC1 7a_100000731022_100000765312 [0,2,0,1,0,0|1,0,0]=4 45194 B12R1.32 COCN(C)CC1CCCCO1 2230a_100000225654_100000766300 [0,2,0,1,0,0|1,0,0]=4 45195 B12R1.32 COCN(C)CC1CCCCO1 269982a_100000225654_100000766300 [0,2,0,1,0,0|1,0,0]=4 45196 B12R1.32 COC[C@@H](C)OC1CCCCC1 34a_100011934205_100000210327 [0,2,0,1,0,0|1,0,0]=4 45197 B12R1.32 COC[C@@H](C)OC1CCCOC1 34a_100011934205_100000693364 [0,2,0,1,0,0|1,0,0]=4 45198 B12R1.32 COC[C@@H](C)OC1CCSCC1 34a_100011934205_100000069128 [0,2,0,1,0,0|1,0,0]=4 45199 B12R1.32 COC[C@@H](N)CC1CCCCC1 34a_100015184289_200000210301 [0,2,0,1,0,0|1,0,0]=4 45200 B12R1.32 CSCC(=O)CC1CCCCO1 1458a_100000184570_100000211543 [0,2,0,1,0,0|0,0,1]=4 45201 B12R1.32 CSCN(C)CC1CCCCO1 2230a_100000225654_100011218213 [0,2,0,1,0,0|1,0,0]=4 45202 B12R1.32 CSCN(C)CC1CCCCO1 269982a_100000225654_100011218213 [0,2,0,1,0,0|1,0,0]=4 45203 B12R1.32 CSCN(C)CC1CCCCO1 34a_100000225654_100011218213 [0,2,0,1,0,0|1,0,0]=4 45204 B12R1.32 O=C(CCF)CC1CCCCO1 1458a_100000238585_100011217306 [0,2,0,1,0,0|0,0,1]=4 45205 B12R1.32 O=C(CCO)CC1CCCCO1 1458a_100000238585_100000211926 [0,2,0,1,0,0|0,0,1]=4 45206 B12R1.32 O=C(CCO)CC1CCCCO1 1458a_100011216618_100000211543 [0,2,0,1,0,0|0,0,1]=4 45207 B12R1.32 [13CH3]NC[C@H](O)CN1CCCCC1 2230a_100015205997_200025704644 [0,2,0,1,0,0|1,0,0]=4 45208 B12R1.32 [13CH3]OC[C@@H](N)CC1CCCCC1 34a_100015184289_200025704644 [0,2,0,1,0,0|1,0,0]=4 45209 B12R1.37 BrCCCCCOC1CCCC1 34a_100000746331_100000179811 [0,2,0,1,0,0|0,0,0]=3 45210 B12R1.37 BrCCCCCOC1CCCC1 7a_100000746331_100000179811 [0,2,0,1,0,0|0,0,0]=3 45211 B12R1.37 BrCCCCCOC1CCOC1 34a_100000746331_100000690089 [0,2,0,1,0,0|0,0,0]=3 45212 B12R1.37 BrCCCCCOC1CCOC1 7a_100000746331_100000731011 [0,2,0,1,0,0|0,0,0]=3 45213 B12R1.37 BrCCCCOCC1CCCC1 34a_100011216708_100000740388 [0,2,0,1,0,0|0,0,0]=3 45214 B12R1.37 BrCCCCOCC1CCOC1 34a_100011216708_100011261433 [0,2,0,1,0,0|0,0,0]=3 45215 B12R1.37 BrCCCCOCC1OCCO1 34a_100011216708_100000755774 [0,2,0,1,0,0|1,0,0]=4 45216 B12R1.37 BrCCCOCCC1CCCC1 34a_100011217188_100000760354 [0,2,0,1,0,0|1,0,0]=4 45217 B12R1.37 BrCCCOCCC1OCCO1 34a_100011217188_100000740749 [0,2,0,1,0,0|1,0,0]=4 45218 B12R1.37 BrCCOCCCC1CCCC1 34a_100000211926_100011713738 [0,2,0,1,0,0|1,0,0]=4 45219 B12R1.37 BrCCOCCCN1CCCC1 34a_100000211926_100016991639 [0,2,0,1,0,0|1,0,0]=4 45220 B12R1.37 BrCCOCCOC1CCCC1 34a_100000692535_100000179811 [0,2,0,1,0,0|0,0,0]=3 45221 B12R1.37 BrCCOCCOC1CCCC1 7a_100000692535_100000179811 [0,2,0,1,0,0|0,0,0]=3 45222 B12R1.37 BrCCOCCOC1CCOC1 34a_100000692535_100000690089 [0,2,0,1,0,0|1,0,0]=4 45223 B12R1.37 BrCCOCCOC1CCOC1 7a_100000692535_100000731011 [0,2,0,1,0,0|1,0,0]=4 45224 B12R1.37 C#CCCCCCN1CCCC1 2230a_100000188435_100012094781 [0,2,0,1,0,0|1,0,0]=4 45225 B12R1.37 C#CCCCCCN1CCCC1 269982a_100000188435_100012094781 [0,2,0,1,0,0|1,0,0]=4 45226 B12R1.37 C#CCCCCNC1CCCC1 2230a_100000211070_100010269958 [0,2,0,1,0,0|1,0,0]=4 45227 B12R1.37 C#CCCCCNC1CCCC1 2230a_100000706060_100000179811 [0,2,0,1,0,0|1,0,0]=4 45228 B12R1.37 C#CCCCCNC1CCCC1 34a_100000211070_100010269958 [0,2,0,1,0,0|1,0,0]=4 45229 B12R1.37 C#CCCCCNC1CCCC1 34a_100000706060_100000179811 [0,2,0,1,0,0|1,0,0]=4 45230 B12R1.37 C#CCCCCOC1CCCC1 34a_100000210269_100010269958 [0,2,0,1,0,0|0,0,0]=3 45231 B12R1.37 C#CCCCCOC1CCCC1 34a_100000766709_100000179811 [0,2,0,1,0,0|0,0,0]=3 45232 B12R1.37 C#CCCCCOC1CCCC1 7a_100000210269_100010269958 [0,2,0,1,0,0|0,0,0]=3 45233 B12R1.37 C#CCCCCOC1CCCC1 7a_100000766709_100000179811 [0,2,0,1,0,0|0,0,0]=3 45234 B12R1.37 C#CCCCCOC1CCCO1 34a_100000085407_100010269958 [0,2,0,1,0,0|0,0,1]=4 45235 B12R1.37 C#CCCCCOC1CCOC1 34a_100000766709_100000690089 [0,2,0,1,0,0|0,0,1]=4 45236 B12R1.37 C#CCCCCOC1CCOC1 7a_100000766709_100000731011 [0,2,0,1,0,0|0,0,1]=4 45237 B12R1.37 C#CCCCCOC1CCSC1 7a_100011232664_100010269958 [0,2,0,1,0,0|0,0,1]=4 45238 B12R1.37 C#CCCCCO[C@H]1CCOC1 34a_100000717292_100010269958 [0,2,0,1,0,0|0,0,1]=4 45239 B12R1.37 C#CCCCCSC1CCCC1 62a_100010269958_100000179811 [0,2,0,1,0,0|0,1,0]=4 45240 B12R1.37 C#CCCCCSC1CCCC1 62a_100011217020_100010269958 [0,2,0,1,0,0|0,1,0]=4 45241 B12R1.37 C#CCCCOCC1CCCC1 34a_100000215630_100000740388 [0,2,0,1,0,0|0,0,1]=4 45242 B12R1.37 C#CCCCOCC1CCCC1 34a_100000742336_100000695029 [0,2,0,1,0,0|0,0,1]=4 45243 B12R1.37 C#CCCCOCC1CCCC1 7a_100000215630_100000740388 [0,2,0,1,0,0|0,0,1]=4 45244 B12R1.37 C#CCCCOCC1CCCC1 7a_100000742336_100011215417 [0,2,0,1,0,0|0,0,1]=4 45245 B12R1.37 C#CCCCOCC1CCCO1 34a_100000210270_100000695029 [0,2,0,1,0,0|0,0,1]=4 45246 B12R1.37 C#CCCCOCC1CCCO1 7a_100000210270_100011215417 [0,2,0,1,0,0|0,0,1]=4 45247 B12R1.37 C#CCCCOCC1CCCO1 7a_100000215630_100000203698 [0,2,0,1,0,0|0,0,1]=4 45248 B12R1.37 C#CCCCOCC1CCNC1 34a_100000748654_100000695029 [0,2,0,1,0,0|0,0,1]=4 45249 B12R1.37 C#CCCCOCC1CCOC1 34a_100000215630_100011261433 [0,2,0,1,0,0|0,0,1]=4 45250 B12R1.37 C#CCCCOCC1CCOC1 34a_100000740260_100000695029 [0,2,0,1,0,0|0,0,1]=4 45251 B12R1.37 C#CCCCOCC1CCOC1 7a_100000215630_100000702531 [0,2,0,1,0,0|0,0,1]=4 45252 B12R1.37 C#CCCCOC[C@H]1CCCN1 34a_100000745186_100000695029 [0,2,0,1,0,0|0,0,1]=4 45253 B12R1.37 C#CCNCCOC1CCCC1 34a_100000741755_100000184674 [0,2,0,1,0,0|0,0,1]=4 45254 B12R1.37 C#CCOCCOC1CCCC1 34a_100000054580_100000179811 [0,2,0,1,0,0|0,0,1]=4 45255 B12R1.37 C#CCOCCOC1CCCC1 34a_100000210269_100010402529 [0,2,0,1,0,0|0,0,1]=4 45256 B12R1.37 C#CCOCCOC1CCCC1 34a_100000738311_100000184674 [0,2,0,1,0,0|0,0,1]=4 45257 B12R1.37 C#CCOCCOC1CCCC1 7a_100000054580_100000179811 [0,2,0,1,0,0|0,0,1]=4 45258 B12R1.37 C#CCOCCOC1CCCC1 7a_100000210269_100010402529 [0,2,0,1,0,0|0,0,1]=4 45259 B12R1.37 C#CCOCCOC1CCCC1 7a_100000738311_100000038162 [0,2,0,1,0,0|0,0,1]=4 45260 B12R1.37 C/C=C/CCOCC1CCCC1 34a_100016278192_100000740388 [0,2,0,1,0,0|0,0,1]=4 45261 B12R1.37 C/C=C/CCOCC1CCOC1 34a_100016278192_100011261433 [0,2,0,1,0,0|0,0,1]=4 45262 B12R1.37 C=CCCCCCN1CCCC1 2230a_100000188435_100000700193 [0,2,0,1,0,0|1,0,0]=4 45263 B12R1.37 C=CCCCCCN1CCCC1 269982a_100000188435_100000700193 [0,2,0,1,0,0|1,0,0]=4 45264 B12R1.37 C=CCCCCNC1CCCC1 2230a_100000211070_100011215482 [0,2,0,1,0,0|1,0,0]=4 45265 B12R1.37 C=CCCCCNC1CCCC1 2230a_100000703577_100000179811 [0,2,0,1,0,0|1,0,0]=4 45266 B12R1.37 C=CCCCCNC1CCCC1 270004a_100000703577_100000210133 [0,2,0,1,0,0|1,0,0]=4 45267 B12R1.37 C=CCCCCNC1CCCC1 34a_100000211070_100011215482 [0,2,0,1,0,0|1,0,0]=4 45268 B12R1.37 C=CCCCCNC1CCCC1 34a_100000703577_100000179811 [0,2,0,1,0,0|1,0,0]=4 45269 B12R1.37 C=CCCCCOC1CCCC1 34a_100000210269_100011215482 [0,2,0,1,0,0|0,0,0]=3 45270 B12R1.37 C=CCCCCOC1CCCC1 34a_100000766645_100000179811 [0,2,0,1,0,0|0,0,0]=3 45271 B12R1.37 C=CCCCCOC1CCCC1 7a_100000210269_100011215482 [0,2,0,1,0,0|0,0,0]=3 45272 B12R1.37 C=CCCCCOC1CCCC1 7a_100000766645_100000179811 [0,2,0,1,0,0|0,0,0]=3 45273 B12R1.37 C=CCCCCOC1CCCO1 34a_100000085407_100011215482 [0,2,0,1,0,0|0,0,1]=4 45274 B12R1.37 C=CCCCCOC1CCOC1 34a_100000766645_100000690089 [0,2,0,1,0,0|0,0,1]=4 45275 B12R1.37 C=CCCCCOC1CCOC1 7a_100000766645_100000731011 [0,2,0,1,0,0|0,0,1]=4 45276 B12R1.37 C=CCCCCOC1CCSC1 7a_100011232664_100011215482 [0,2,0,1,0,0|0,0,1]=4 45277 B12R1.37 C=CCCCCO[C@H]1CCOC1 34a_100000717292_100011215482 [0,2,0,1,0,0|0,0,1]=4 45278 B12R1.37 C=CCCCCSC1CCCC1 62a_100011215482_100000179811 [0,2,0,1,0,0|0,1,0]=4 45279 B12R1.37 C=CCCCCSC1CCCC1 62a_100011217020_100011215482 [0,2,0,1,0,0|0,1,0]=4 45280 B12R1.37 C=CCCCOCC1CCCC1 34a_100000742336_100000757094 [0,2,0,1,0,0|0,0,1]=4 45281 B12R1.37 C=CCCCOCC1CCCC1 34a_100000758997_100000740388 [0,2,0,1,0,0|0,0,1]=4 45282 B12R1.37 C=CCCCOCC1CCCC1 7a_100000742336_100000757094 [0,2,0,1,0,0|0,0,1]=4 45283 B12R1.37 C=CCCCOCC1CCCC1 7a_100000758997_100000740388 [0,2,0,1,0,0|0,0,1]=4 45284 B12R1.37 C=CCCCOCC1CCCO1 34a_100000210270_100000757094 [0,2,0,1,0,0|0,0,1]=4 45285 B12R1.37 C=CCCCOCC1CCCO1 7a_100000210270_100000757094 [0,2,0,1,0,0|0,0,1]=4 45286 B12R1.37 C=CCCCOCC1CCCO1 7a_100000758997_100000203698 [0,2,0,1,0,0|0,0,1]=4 45287 B12R1.37 C=CCCCOCC1CCNC1 34a_100000748654_100000757094 [0,2,0,1,0,0|0,0,1]=4 45288 B12R1.37 C=CCCCOCC1CCOC1 34a_100000740260_100000757094 [0,2,0,1,0,0|0,0,1]=4 45289 B12R1.37 C=CCCCOCC1CCOC1 34a_100000758997_100011261433 [0,2,0,1,0,0|0,0,1]=4 45290 B12R1.37 C=CCCCOCC1CCOC1 7a_100000758997_100000702531 [0,2,0,1,0,0|0,0,1]=4 45291 B12R1.37 C=CCCCOC[C@H]1CCCN1 34a_100000745186_100000757094 [0,2,0,1,0,0|0,0,1]=4 45292 B12R1.37 C=CCNCCOC1CCCC1 34a_100000741755_100015514636 [0,2,0,1,0,0|0,0,1]=4 45293 B12R1.37 C=CCOCCOC1CCCC1 34a_100000037705_100000179811 [0,2,0,1,0,0|0,0,1]=4 45294 B12R1.37 C=CCOCCOC1CCCC1 34a_100000738311_100015514636 [0,2,0,1,0,0|0,0,1]=4 45295 B12R1.37 C=CCOCCOC1CCCC1 7a_100000037705_100000179811 [0,2,0,1,0,0|0,0,1]=4 45296 B12R1.37 C=CCOCCOC1CCCC1 7a_100000738311_100015514636 [0,2,0,1,0,0|0,0,1]=4 45297 B12R1.37 CC#CCCOCC1CCCC1 34a_100000750427_100000740388 [0,2,0,1,0,0|0,0,1]=4 45298 B12R1.37 CC#CCCOCC1CCOC1 34a_100000750427_100011261433 [0,2,0,1,0,0|0,0,1]=4 45299 B12R1.37 CC/C=C\CCNC1CCCC1 2230a_100000211070_100015370543 [0,2,0,1,0,0|1,0,0]=4 45300 B12R1.37 CC/C=C\CCNC1CCCC1 34a_100000211070_100015370543 [0,2,0,1,0,0|1,0,0]=4 45301 B12R1.37 CC/C=C\CCOC1CCCC1 34a_100000210269_100015370543 [0,2,0,1,0,0|0,0,0]=3 45302 B12R1.37 CC/C=C\CCOC1CCCC1 34a_100016288707_100000179811 [0,2,0,1,0,0|0,0,0]=3 45303 B12R1.37 CC/C=C\CCOC1CCCC1 7a_100000210269_100015370543 [0,2,0,1,0,0|0,0,0]=3 45304 B12R1.37 CC/C=C\CCOC1CCCC1 7a_100016288707_100000179811 [0,2,0,1,0,0|0,0,0]=3 45305 B12R1.37 CC/C=C\CCOC1CCCO1 34a_100000085407_100015370543 [0,2,0,1,0,0|0,0,1]=4 45306 B12R1.37 CC/C=C\CCOC1CCOC1 34a_100016288707_100000690089 [0,2,0,1,0,0|0,0,1]=4 45307 B12R1.37 CC/C=C\CCOC1CCOC1 7a_100016288707_100000731011 [0,2,0,1,0,0|0,0,1]=4 45308 B12R1.37 CC/C=C\CCOC1CCSC1 7a_100011232664_100015370543 [0,2,0,1,0,0|0,0,1]=4 45309 B12R1.37 CC/C=C\CCO[C@H]1CCOC1 34a_100000717292_100015370543 [0,2,0,1,0,0|0,0,1]=4 45310 B12R1.37 CC/C=C\CCSC1CCCC1 62a_100011217020_100015370543 [0,2,0,1,0,0|0,1,0]=4 45311 B12R1.37 CC/C=C\CCSC1CCCC1 62a_100015370543_100000179811 [0,2,0,1,0,0|0,1,0]=4 45312 B12R1.37 CC/C=C\COCC1CCCC1 34a_100000742336_100103147603 [0,2,0,1,0,0|0,0,1]=4 45313 B12R1.37 CC/C=C\COCC1CCCC1 34a_100016268518_100000740388 [0,2,0,1,0,0|0,0,1]=4 45314 B12R1.37 CC/C=C\COCC1CCCC1 7a_100000742336_100103147603 [0,2,0,1,0,0|0,0,1]=4 45315 B12R1.37 CC/C=C\COCC1CCCO1 34a_100000210270_100103147603 [0,2,0,1,0,0|0,0,1]=4 45316 B12R1.37 CC/C=C\COCC1CCCO1 7a_100000210270_100103147603 [0,2,0,1,0,0|0,0,1]=4 45317 B12R1.37 CC/C=C\COCC1CCNC1 34a_100000748654_100103147603 [0,2,0,1,0,0|0,0,1]=4 45318 B12R1.37 CC/C=C\COCC1CCOC1 34a_100000740260_100103147603 [0,2,0,1,0,0|0,0,1]=4 45319 B12R1.37 CC/C=C\COCC1CCOC1 34a_100016268518_100011261433 [0,2,0,1,0,0|0,0,1]=4 45320 B12R1.37 CC/C=C\COC[C@H]1CCCN1 34a_100000745186_100103147603 [0,2,0,1,0,0|0,0,1]=4 45321 B12R1.37 CC=C=CCCOC1CCCC1 34a_100011020354_100000179811 [0,2,0,1,0,0|0,0,1]=4 45322 B12R1.37 CC=CCCCOC1CCCC1 34a_100020645299_100000179811 [0,2,0,1,0,0|0,0,0]=3 45323 B12R1.37 CC=CCCCOC1CCOC1 34a_100020645299_100000690089 [0,2,0,1,0,0|0,0,1]=4 45324 B12R1.37 CCC#CCCOC1CCCC1 34a_100000036655_100000179811 [0,2,0,1,0,0|0,0,0]=3 45325 B12R1.37 CCC#CCCOC1CCCC1 7a_100000036655_100000179811 [0,2,0,1,0,0|0,0,0]=3 45326 B12R1.37 CCC#CCCOC1CCOC1 34a_100000036655_100000690089 [0,2,0,1,0,0|0,0,1]=4 45327 B12R1.37 CCC#CCCOC1CCOC1 7a_100000036655_100000731011 [0,2,0,1,0,0|0,0,1]=4 45328 B12R1.37 CCC#CCOCC1CCCC1 34a_100000032950_100000740388 [0,2,0,1,0,0|0,0,1]=4 45329 B12R1.37 CCC#CCOCC1CCCC1 34a_100000742336_100009813939 [0,2,0,1,0,0|0,0,1]=4 45330 B12R1.37 CCC#CCOCC1CCCC1 7a_100000742336_100009813939 [0,2,0,1,0,0|0,0,1]=4 45331 B12R1.37 CCC#CCOCC1CCCO1 34a_100000210270_100009813939 [0,2,0,1,0,0|0,0,1]=4 45332 B12R1.37 CCC#CCOCC1CCCO1 7a_100000210270_100009813939 [0,2,0,1,0,0|0,0,1]=4 45333 B12R1.37 CCC#CCOCC1CCNC1 34a_100000748654_100009813939 [0,2,0,1,0,0|0,0,1]=4 45334 B12R1.37 CCC#CCOCC1CCOC1 34a_100000032950_100011261433 [0,2,0,1,0,0|0,0,1]=4 45335 B12R1.37 CCC#CCOCC1CCOC1 34a_100000740260_100009813939 [0,2,0,1,0,0|0,0,1]=4 45336 B12R1.37 CCC#CCOC[C@H]1CCCN1 34a_100000745186_100009813939 [0,2,0,1,0,0|0,0,1]=4 45337 B12R1.37 CCC/C=C/COC1CCCC1 34a_100016278788_100000179811 [0,2,0,1,0,0|0,0,0]=3 45338 B12R1.37 CCC/C=C/COC1CCCC1 7a_100016278788_100000179811 [0,2,0,1,0,0|0,0,0]=3 45339 B12R1.37 CCC/C=C/COC1CCOC1 34a_100016278788_100000690089 [0,2,0,1,0,0|0,0,1]=4 45340 B12R1.37 CCC/C=C/COC1CCOC1 7a_100016278788_100000731011 [0,2,0,1,0,0|0,0,1]=4 45341 B12R1.37 CCCC#CCOC1CCCC1 34a_100000034806_100000179811 [0,2,0,1,0,0|0,0,0]=3 45342 B12R1.37 CCCC#CCOC1CCCC1 7a_100000034806_100000179811 [0,2,0,1,0,0|0,0,0]=3 45343 B12R1.37 CCCC#CCOC1CCOC1 34a_100000034806_100000690089 [0,2,0,1,0,0|0,0,1]=4 45344 B12R1.37 CCCC#CCOC1CCOC1 7a_100000034806_100000731011 [0,2,0,1,0,0|0,0,1]=4 45345 B12R1.37 CCCCC=NNC1CCCC1 4a_100000737850_100000210104 [0,2,0,1,0,0|1,0,0]=4 45346 B12R1.37 CCCCCCCN1CCCC1 2230a_100000188435_100000210681 [0,2,0,1,0,0|1,0,0]=4 45347 B12R1.37 CCCCCCCN1CCCC1 269982a_100000188435_100000210681 [0,2,0,1,0,0|1,0,0]=4 45348 B12R1.37 CCCCCCCN1CCSC1 2230a_100011215254_100000210681 [0,2,0,1,0,0|1,0,0]=4 45349 B12R1.37 CCCCCCCN1CCSC1 269982a_100011215254_100000210681 [0,2,0,1,0,0|1,0,0]=4 45350 B12R1.37 CCCCCCNC1CCCC1 2230a_100000210581_100000179811 [0,2,0,1,0,0|1,0,0]=4 45351 B12R1.37 CCCCCCNC1CCCC1 2230a_100000211070_100000210314 [0,2,0,1,0,0|1,0,0]=4 45352 B12R1.37 CCCCCCNC1CCCC1 270004a_100000210581_100000210133 [0,2,0,1,0,0|1,0,0]=4 45353 B12R1.37 CCCCCCNC1CCCC1 34a_100000211070_100000210314 [0,2,0,1,0,0|1,0,0]=4 45354 B12R1.37 CCCCCCNC1CCOC1 2230a_100000210581_100000731011 [0,2,0,1,0,0|1,0,0]=4 45355 B12R1.37 CCCCCCNC1CCOC1 270004a_100000210581_100000752484 [0,2,0,1,0,0|1,0,0]=4 45356 B12R1.37 CCCCCCNC1CCSC1 270004a_100000210581_100000212027 [0,2,0,1,0,0|1,0,0]=4 45357 B12R1.37 CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210314 [0,2,0,1,0,0|1,0,0]=4 45358 B12R1.37 CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000210314 [0,2,0,1,0,0|1,0,0]=4 45359 B12R1.37 CCCCCCN[C@H]1CCOC1 34a_100015188467_100000210314 [0,2,0,1,0,0|1,0,0]=4 45360 B12R1.37 CCCCCCOC1CCCC1 34a_100000210259_100000179811 [0,2,0,1,0,0|0,0,0]=3 45361 B12R1.37 CCCCCCOC1CCCC1 34a_100000210269_100000210314 [0,2,0,1,0,0|0,0,0]=3 45362 B12R1.37 CCCCCCOC1CCCC1 7a_100000210259_100000179811 [0,2,0,1,0,0|0,0,0]=3 45363 B12R1.37 CCCCCCOC1CCCC1 7a_100000210269_100000210314 [0,2,0,1,0,0|0,0,0]=3 45364 B12R1.37 CCCCCCOC1CCCO1 34a_100000085407_100000210314 [0,2,0,1,0,0|0,0,0]=3 45365 B12R1.37 CCCCCCOC1CCOC1 34a_100000210259_100000690089 [0,2,0,1,0,0|0,0,0]=3 45366 B12R1.37 CCCCCCOC1CCOC1 7a_100000210259_100000731011 [0,2,0,1,0,0|0,0,0]=3 45367 B12R1.37 CCCCCCOC1CCSC1 7a_100011232664_100000210314 [0,2,0,1,0,0|0,0,0]=3 45368 B12R1.37 CCCCCCO[C@H]1CCOC1 34a_100000717292_100000210314 [0,2,0,1,0,0|0,0,0]=3 45369 B12R1.37 CCCCCCSC1CCCC1 62a_100000210314_100000179811 [0,2,0,1,0,0|0,1,0]=4 45370 B12R1.37 CCCCCCSC1CCCC1 62a_100011217020_100000210757 [0,2,0,1,0,0|0,1,0]=4 45371 B12R1.37 CCCCCCSC1CCOC1 62a_100000210314_100000690089 [0,2,0,1,0,0|0,1,0]=4 45372 B12R1.37 CCCCCNCC1CCCC1 2230a_100000209983_100000740388 [0,2,0,1,0,0|1,0,0]=4 45373 B12R1.37 CCCCCNCC1CCCC1 2230a_100000737975_100000210326 [0,2,0,1,0,0|1,0,0]=4 45374 B12R1.37 CCCCCNCC1CCCC1 269862a_100000209983_100000746403 [0,2,0,1,0,0|1,0,0]=4 45375 B12R1.37 CCCCCNCC1CCCC1 34a_100000737975_100000718602 [0,2,0,1,0,0|1,0,0]=4 45376 B12R1.37 CCCCCNCC1CCCO1 2230a_100000209983_100000203698 [0,2,0,1,0,0|1,0,0]=4 45377 B12R1.37 CCCCCNCC1CCOC1 2230a_100000209983_100000702531 [0,2,0,1,0,0|1,0,0]=4 45378 B12R1.37 CCCCCNCC1CCOC1 2230a_100000737293_100000210326 [0,2,0,1,0,0|1,0,0]=4 45379 B12R1.37 CCCCCNCC1CCOC1 34a_100000737293_100000718602 [0,2,0,1,0,0|1,0,0]=4 45380 B12R1.37 CCCCCNCC1OCCO1 2230a_100000036311_100000210326 [0,2,0,1,0,0|1,0,0]=4 45381 B12R1.37 CCCCCNCC1OCCO1 2230a_100000209983_100000755774 [0,2,0,1,0,0|1,0,0]=4 45382 B12R1.37 CCCCCNCC1OCCO1 34a_100000036311_100000718602 [0,2,0,1,0,0|1,0,0]=4 45383 B12R1.37 CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210326 [0,2,0,1,0,0|1,0,0]=4 45384 B12R1.37 CCCCCNC[C@@H]1CCCO1 34a_100020590478_100000718602 [0,2,0,1,0,0|1,0,0]=4 45385 B12R1.37 CCCCCNN=C1CCCC1 4a_100000694160_100000210133 [0,2,0,1,0,0|1,0,0]=4 45386 B12R1.37 CCCCCOCC1=NCCN1 34a_100000210253_100000737910 [0,2,0,1,0,0|0,0,1]=4 45387 B12R1.37 CCCCCOCC1=NCCN1 7a_100000210253_100000737910 [0,2,0,1,0,0|0,0,1]=4 45388 B12R1.37 CCCCCOCC1CC=CC1 34a_100000688395_100000718602 [0,2,0,1,0,0|0,0,0]=3 45389 B12R1.37 CCCCCOCC1CCCC1 34a_100000210253_100000740388 [0,2,0,1,0,0|0,0,0]=3 45390 B12R1.37 CCCCCOCC1CCCC1 34a_100000742336_100000718602 [0,2,0,1,0,0|0,0,0]=3 45391 B12R1.37 CCCCCOCC1CCCC1 7a_100000210253_100000740388 [0,2,0,1,0,0|0,0,0]=3 45392 B12R1.37 CCCCCOCC1CCCC1 7a_100000742336_100000210326 [0,2,0,1,0,0|0,0,0]=3 45393 B12R1.37 CCCCCOCC1CCCO1 34a_100000210270_100000718602 [0,2,0,1,0,0|0,0,0]=3 45394 B12R1.37 CCCCCOCC1CCCO1 7a_100000210253_100000203698 [0,2,0,1,0,0|0,0,0]=3 45395 B12R1.37 CCCCCOCC1CCCO1 7a_100000210270_100000210326 [0,2,0,1,0,0|0,0,0]=3 45396 B12R1.37 CCCCCOCC1CCNC1 34a_100000748654_100000718602 [0,2,0,1,0,0|0,0,0]=3 45397 B12R1.37 CCCCCOCC1CCOC1 34a_100000210253_100011261433 [0,2,0,1,0,0|0,0,0]=3 45398 B12R1.37 CCCCCOCC1CCOC1 34a_100000740260_100000718602 [0,2,0,1,0,0|0,0,0]=3 45399 B12R1.37 CCCCCOCC1CCOC1 7a_100000210253_100000702531 [0,2,0,1,0,0|0,0,0]=3 45400 B12R1.37 CCCCCOCC1COCO1 34a_100011216627_100000718602 [0,2,0,1,0,0|0,0,0]=3 45401 B12R1.37 CCCCCOCC1OCCO1 34a_100000087154_100000718602 [0,2,0,1,0,0|0,0,0]=3 45402 B12R1.37 CCCCCOCC1OCCO1 34a_100000210253_100000755774 [0,2,0,1,0,0|0,0,0]=3 45403 B12R1.37 CCCCCOCC1OCCO1 7a_100000210253_100000755774 [0,2,0,1,0,0|0,0,0]=3 45404 B12R1.37 CCCCCOC[C@H]1CCCN1 34a_100000745186_100000718602 [0,2,0,1,0,0|0,0,0]=3 45405 B12R1.37 CCCCCSCC1CCCC1 62a_100000210326_100000740388 [0,2,0,1,0,0|0,1,0]=4 45406 B12R1.37 CCCCCSCC1CCCC1 62a_100000740388_100000210326 [0,2,0,1,0,0|0,1,0]=4 45407 B12R1.37 CCCCCSCC1CCCO1 62a_100000203698_100000210326 [0,2,0,1,0,0|0,1,0]=4 45408 B12R1.37 CCCCCSCC1CCCO1 62a_100000210326_100000203698 [0,2,0,1,0,0|0,1,0]=4 45409 B12R1.37 CCCCCSCC1CCOC1 62a_100000210326_100000702531 [0,2,0,1,0,0|0,1,0]=4 45410 B12R1.37 CCCCCSCC1CCOC1 62a_100000702531_100000210326 [0,2,0,1,0,0|0,1,0]=4 45411 B12R1.37 CCCCCSCC1OCCO1 62a_100000210326_100000755774 [0,2,0,1,0,0|0,1,0]=4 45412 B12R1.37 CCCCCSCC1OCCO1 62a_100000755774_100000210326 [0,2,0,1,0,0|0,1,0]=4 45413 B12R1.37 CCCCNCCC1CCCC1 2230a_100000102301_100000760354 [0,2,0,1,0,0|1,0,0]=4 45414 B12R1.37 CCCCNCCC1CCCC1 2230a_100000739158_100000210211 [0,2,0,1,0,0|1,0,0]=4 45415 B12R1.37 CCCCNCCC1CCCC1 34a_100000739158_100000210210 [0,2,0,1,0,0|1,0,0]=4 45416 B12R1.37 CCCCNCCC1CCCC1 7a_106832991798_100000760354 [0,2,0,1,0,0|1,0,0]=4 45417 B12R1.37 CCCCNCCC1OCCO1 2230a_100000034215_100000210211 [0,2,0,1,0,0|1,0,0]=4 45418 B12R1.37 CCCCNCCC1OCCO1 2230a_100000102301_100000740749 [0,2,0,1,0,0|1,0,0]=4 45419 B12R1.37 CCCCNCCC1OCCO1 34a_100000034215_100000210210 [0,2,0,1,0,0|1,0,0]=4 45420 B12R1.37 CCCCNCCC1OCCO1 7a_106832991798_100000740749 [0,2,0,1,0,0|1,0,0]=4 45421 B12R1.37 CCCCNCCN1CCCC1 7a_106832991798_100000004467 [0,2,0,1,0,0|1,0,0]=4 45422 B12R1.37 CCCCNN=CC1CCCC1 4a_100025702795_100000746403 [0,2,0,1,0,0|1,0,0]=4 45423 B12R1.37 CCCCOCCC1CCCC1 34a_100000210227_100000760354 [0,2,0,1,0,0|0,0,0]=3 45424 B12R1.37 CCCCOCCC1CCCC1 34a_100000749090_100000210210 [0,2,0,1,0,0|0,0,0]=3 45425 B12R1.37 CCCCOCCC1CCCC1 7a_100000210227_100000760354 [0,2,0,1,0,0|0,0,0]=3 45426 B12R1.37 CCCCOCCC1CCCC1 7a_100000749090_100000210211 [0,2,0,1,0,0|0,0,0]=3 45427 B12R1.37 CCCCOCCC1CCNC1 34a_100016987287_100000210210 [0,2,0,1,0,0|0,0,0]=3 45428 B12R1.37 CCCCOCCC1CCOC1 34a_100011879284_100000210210 [0,2,0,1,0,0|0,0,0]=3 45429 B12R1.37 CCCCOCCC1OCCO1 34a_100000210227_100000740749 [0,2,0,1,0,0|0,0,0]=3 45430 B12R1.37 CCCCOCCC1OCCO1 7a_100000210227_100000740749 [0,2,0,1,0,0|0,0,0]=3 45431 B12R1.37 CCCCOCCN1CC=CC1 269982a_100015195280_100000743108 [0,2,0,1,0,0|0,0,1]=4 45432 B12R1.37 CCCCOCCN1CCCC1 2230a_100000188435_100000743108 [0,2,0,1,0,0|0,0,0]=3 45433 B12R1.37 CCCCOCCN1CCCC1 269982a_100000188435_100000743108 [0,2,0,1,0,0|0,0,0]=3 45434 B12R1.37 CCCCOCCN1CCCC1 7a_100000210227_100000004467 [0,2,0,1,0,0|0,0,0]=3 45435 B12R1.37 CCCCOCCN1CCSC1 2230a_100011215254_100000743108 [0,2,0,1,0,0|0,0,0]=3 45436 B12R1.37 CCCCOCCN1CCSC1 269982a_100011215254_100000743108 [0,2,0,1,0,0|0,0,0]=3 45437 B12R1.37 CCCCOCNC1CC=CC1 2230a_100015188752_100011995733 [0,2,0,1,0,0|0,0,1]=4 45438 B12R1.37 CCCCOCNC1CCCC1 2230a_100000211070_100011995733 [0,2,0,1,0,0|0,0,0]=3 45439 B12R1.37 CCCCOCNC1CCCC1 34a_100000211070_100011995733 [0,2,0,1,0,0|0,0,0]=3 45440 B12R1.37 CCCCOCN[C@@H]1CCOC1 2230a_200015188469_100011995733 [0,2,0,1,0,0|0,0,0]=3 45441 B12R1.37 CCCCOCN[C@H]1CCOC1 2230a_100015188467_100011995733 [0,2,0,1,0,0|0,0,0]=3 45442 B12R1.37 CCCCOCN[C@H]1CCOC1 34a_100015188467_100011995733 [0,2,0,1,0,0|0,0,0]=3 45443 B12R1.37 CCCCOCOC1CCCC1 34a_100000210269_100011995733 [0,2,0,1,0,0|0,0,0]=3 45444 B12R1.37 CCCCOCOC1CCCO1 34a_100000085407_100011995733 [0,2,0,1,0,0|0,0,0]=3 45445 B12R1.37 CCCCOCO[C@H]1CCOC1 34a_100000717292_100011995733 [0,2,0,1,0,0|0,0,0]=3 45446 B12R1.37 CCCCOCSC1CCCC1 62a_100011217020_100011995733 [0,2,0,1,0,0|0,0,0]=3 45447 B12R1.37 CCCCOCSC1CCCC1 62a_100011995733_100000179811 [0,2,0,1,0,0|0,0,0]=3 45448 B12R1.37 CCCCOCSC1CCOC1 62a_100011995733_100000690089 [0,2,0,1,0,0|0,0,0]=3 45449 B12R1.37 CCCCSCCC1CCCC1 62a_100000210211_100000760354 [0,2,0,1,0,0|0,1,0]=4 45450 B12R1.37 CCCCSCCC1CCCC1 62a_100000760354_100000210210 [0,2,0,1,0,0|0,1,0]=4 45451 B12R1.37 CCCCSCCC1OCCO1 62a_100000210211_100000740749 [0,2,0,1,0,0|0,1,0]=4 45452 B12R1.37 CCCCSCCN1CCCC1 62a_100000210211_100000004467 [0,2,0,1,0,0|0,1,0]=4 45453 B12R1.37 CCCCSCCN1CCCC1 62a_100000700749_100000210210 [0,2,0,1,0,0|0,1,0]=4 45454 B12R1.37 CCCNCCCC1CCCC1 2230a_100000736752_100000210303 [0,2,0,1,0,0|1,0,0]=4 45455 B12R1.37 CCCNCCCC1CCCC1 34a_100000736752_100000210303 [0,2,0,1,0,0|1,0,0]=4 45456 B12R1.37 CCCNCCOC1CCCC1 34a_100000741755_100000210303 [0,2,0,1,0,0|0,0,0]=3 45457 B12R1.37 CCCOCCCC1CCCC1 34a_100000210258_100011713738 [0,2,0,1,0,0|1,0,0]=4 45458 B12R1.37 CCCOCCCC1CCCC1 34a_100011215328_100000210303 [0,2,0,1,0,0|1,0,0]=4 45459 B12R1.37 CCCOCCCC1CCCC1 7a_100011215328_100000210303 [0,2,0,1,0,0|1,0,0]=4 45460 B12R1.37 CCCOCCCN1CCCC1 34a_100000210258_100016991639 [0,2,0,1,0,0|1,0,0]=4 45461 B12R1.37 CCCOCCNC1CCCC1 2230a_100000211070_100011215938 [0,2,0,1,0,0|1,0,0]=4 45462 B12R1.37 CCCOCCNC1CCCC1 2230a_100161115042_100000179811 [0,2,0,1,0,0|1,0,0]=4 45463 B12R1.37 CCCOCCNC1CCCC1 270004a_100161115042_100000210133 [0,2,0,1,0,0|1,0,0]=4 45464 B12R1.37 CCCOCCNC1CCCC1 34a_100000211070_100011215938 [0,2,0,1,0,0|1,0,0]=4 45465 B12R1.37 CCCOCCNC1CCCC1 34a_100161115042_100000179811 [0,2,0,1,0,0|1,0,0]=4 45466 B12R1.37 CCCOCCNC1CCCC1 34a_200000200444_100000210303 [0,2,0,1,0,0|1,0,0]=4 45467 B12R1.37 CCCOCCNC1CCOC1 2230a_100161115042_100000731011 [0,2,0,1,0,0|1,0,0]=4 45468 B12R1.37 CCCOCCNC1CCOC1 270004a_100161115042_100000752484 [0,2,0,1,0,0|1,0,0]=4 45469 B12R1.37 CCCOCCNC1CCOC1 34a_100161115042_100000690089 [0,2,0,1,0,0|1,0,0]=4 45470 B12R1.37 CCCOCCNC1CCSC1 270004a_100161115042_100000212027 [0,2,0,1,0,0|1,0,0]=4 45471 B12R1.37 CCCOCCN[C@@H]1CCOC1 2230a_200015188469_100011215938 [0,2,0,1,0,0|1,0,0]=4 45472 B12R1.37 CCCOCCN[C@H]1CCOC1 2230a_100015188467_100011215938 [0,2,0,1,0,0|1,0,0]=4 45473 B12R1.37 CCCOCCN[C@H]1CCOC1 34a_100015188467_100011215938 [0,2,0,1,0,0|1,0,0]=4 45474 B12R1.37 CCCOCCOC1CCCC1 34a_100000210269_100011215938 [0,2,0,1,0,0|0,0,0]=3 45475 B12R1.37 CCCOCCOC1CCCC1 34a_100000738311_100000210303 [0,2,0,1,0,0|0,0,0]=3 45476 B12R1.37 CCCOCCOC1CCCC1 34a_100000752267_100000179811 [0,2,0,1,0,0|0,0,0]=3 45477 B12R1.37 CCCOCCOC1CCCC1 7a_100000210269_100011215938 [0,2,0,1,0,0|0,0,0]=3 45478 B12R1.37 CCCOCCOC1CCCC1 7a_100000738311_100000210303 [0,2,0,1,0,0|0,0,0]=3 45479 B12R1.37 CCCOCCOC1CCCC1 7a_100000752267_100000179811 [0,2,0,1,0,0|0,0,0]=3 45480 B12R1.37 CCCOCCOC1CCCO1 34a_100000085407_100011215938 [0,2,0,1,0,0|0,0,0]=3 45481 B12R1.37 CCCOCCOC1CCOC1 34a_100000752267_100000690089 [0,2,0,1,0,0|0,0,0]=3 45482 B12R1.37 CCCOCCOC1CCOC1 7a_100000752267_100000731011 [0,2,0,1,0,0|0,0,0]=3 45483 B12R1.37 CCCOCCOC1CCSC1 7a_100011232664_100011215938 [0,2,0,1,0,0|0,0,0]=3 45484 B12R1.37 CCCOCCO[C@H]1CCOC1 34a_100000717292_100011215938 [0,2,0,1,0,0|0,0,0]=3 45485 B12R1.37 CCCOCCSC1CCCC1 62a_100011215938_100000179811 [0,2,0,1,0,0|0,1,0]=4 45486 B12R1.37 CCCOCCSC1CCCC1 62a_100011217020_100011215938 [0,2,0,1,0,0|0,1,0]=4 45487 B12R1.37 CCCOCCSC1CCOC1 62a_100011215938_100000690089 [0,2,0,1,0,0|0,1,0]=4 45488 B12R1.37 CCCSCCCC1CCCC1 62a_100000210303_100011713738 [0,2,0,1,0,0|1,0,0]=4 45489 B12R1.37 CCCSCCCC1CCCC1 62a_100011713738_100000210303 [0,2,0,1,0,0|1,0,0]=4 45490 B12R1.37 CCCSCCCN1CCCC1 62a_100000210303_100011445909 [0,2,0,1,0,0|1,0,0]=4 45491 B12R1.37 CCCSCCCN1CCCC1 62a_100016991639_100000210303 [0,2,0,1,0,0|1,0,0]=4 45492 B12R1.37 CCCSCCNC1CCCC1 2230a_100020603323_100000179811 [0,2,0,1,0,0|1,0,0]=4 45493 B12R1.37 CCCSCCNC1CCCC1 270004a_100020603323_100000210133 [0,2,0,1,0,0|1,0,0]=4 45494 B12R1.37 CCCSCCNC1CCOC1 2230a_100020603323_100000731011 [0,2,0,1,0,0|1,0,0]=4 45495 B12R1.37 CCCSCCNC1CCOC1 270004a_100020603323_100000752484 [0,2,0,1,0,0|1,0,0]=4 45496 B12R1.37 CCCSCCNC1CCSC1 270004a_100020603323_100000212027 [0,2,0,1,0,0|1,0,0]=4 45497 B12R1.37 CCCSCCOC1CCCC1 34a_200000230433_100000179811 [0,2,0,1,0,0|0,0,0]=3 45498 B12R1.37 CCCSCCOC1CCCC1 7a_200000230433_100000179811 [0,2,0,1,0,0|0,0,0]=3 45499 B12R1.37 CCCSCCOC1CCOC1 34a_200000230433_100000690089 [0,2,0,1,0,0|0,0,0]=3 45500 B12R1.37 CCCSCCOC1CCOC1 7a_200000230433_100000731011 [0,2,0,1,0,0|0,0,0]=3 45501 B12R1.37 CCNCCCOC1CCCC1 34a_100000747560_100000210202 [0,2,0,1,0,0|0,0,0]=3 45502 B12R1.37 CCOCCCNC1CCCC1 2230a_100000210961_100000179811 [0,2,0,1,0,0|1,0,0]=4 45503 B12R1.37 CCOCCCNC1CCCC1 2230a_100000211070_100012232248 [0,2,0,1,0,0|1,0,0]=4 45504 B12R1.37 CCOCCCNC1CCCC1 270004a_100000210961_100000210133 [0,2,0,1,0,0|1,0,0]=4 45505 B12R1.37 CCOCCCNC1CCCC1 34a_100000210961_100000179811 [0,2,0,1,0,0|1,0,0]=4 45506 B12R1.37 CCOCCCNC1CCCC1 34a_100000211070_100012232248 [0,2,0,1,0,0|1,0,0]=4 45507 B12R1.37 CCOCCCNC1CCOC1 2230a_100000210961_100000731011 [0,2,0,1,0,0|1,0,0]=4 45508 B12R1.37 CCOCCCNC1CCOC1 270004a_100000210961_100000752484 [0,2,0,1,0,0|1,0,0]=4 45509 B12R1.37 CCOCCCNC1CCOC1 34a_100000210961_100000690089 [0,2,0,1,0,0|1,0,0]=4 45510 B12R1.37 CCOCCCNC1CCSC1 270004a_100000210961_100000212027 [0,2,0,1,0,0|1,0,0]=4 45511 B12R1.37 CCOCCCN[C@@H]1CCOC1 2230a_200015188469_100012232248 [0,2,0,1,0,0|1,0,0]=4 45512 B12R1.37 CCOCCCN[C@H]1CCOC1 2230a_100015188467_100012232248 [0,2,0,1,0,0|1,0,0]=4 45513 B12R1.37 CCOCCCN[C@H]1CCOC1 34a_100015188467_100012232248 [0,2,0,1,0,0|1,0,0]=4 45514 B12R1.37 CCOCCCOC1CCCC1 34a_100000210269_100012232248 [0,2,0,1,0,0|0,0,0]=3 45515 B12R1.37 CCOCCCOC1CCCC1 34a_100000757476_100000179811 [0,2,0,1,0,0|0,0,0]=3 45516 B12R1.37 CCOCCCOC1CCCC1 7a_100000210269_100012232248 [0,2,0,1,0,0|0,0,0]=3 45517 B12R1.37 CCOCCCOC1CCCC1 7a_100000757476_100000179811 [0,2,0,1,0,0|0,0,0]=3 45518 B12R1.37 CCOCCCOC1CCCO1 34a_100000085407_100012232248 [0,2,0,1,0,0|0,0,0]=3 45519 B12R1.37 CCOCCCOC1CCOC1 34a_100000757476_100000690089 [0,2,0,1,0,0|0,0,0]=3 45520 B12R1.37 CCOCCCOC1CCOC1 7a_100000757476_100000731011 [0,2,0,1,0,0|0,0,0]=3 45521 B12R1.37 CCOCCCOC1CCSC1 7a_100011232664_100012232248 [0,2,0,1,0,0|0,0,0]=3 45522 B12R1.37 CCOCCCO[C@H]1CCOC1 34a_100000717292_100012232248 [0,2,0,1,0,0|0,0,0]=3 45523 B12R1.37 CCOCCCSC1CCCC1 62a_100011217020_100012232248 [0,2,0,1,0,0|0,1,0]=4 45524 B12R1.37 CCOCCCSC1CCCC1 62a_100012232248_100000179811 [0,2,0,1,0,0|0,1,0]=4 45525 B12R1.37 CCOCCCSC1CCOC1 62a_100012232248_100000690089 [0,2,0,1,0,0|0,1,0]=4 45526 B12R1.37 CCOCCNCC1CCCC1 2230a_100000737975_100011215890 [0,2,0,1,0,0|1,0,0]=4 45527 B12R1.37 CCOCCNCC1CCCC1 2230a_102516460346_100000740388 [0,2,0,1,0,0|1,0,0]=4 45528 B12R1.37 CCOCCNCC1CCCC1 269862a_100011200944_100000746403 [0,2,0,1,0,0|1,0,0]=4 45529 B12R1.37 CCOCCNCC1CCCC1 34a_100000737975_100000210147 [0,2,0,1,0,0|1,0,0]=4 45530 B12R1.37 CCOCCNCC1CCCC1 34a_102516460346_100000740388 [0,2,0,1,0,0|1,0,0]=4 45531 B12R1.37 CCOCCNCC1CCCO1 2230a_102516460346_100000203698 [0,2,0,1,0,0|1,0,0]=4 45532 B12R1.37 CCOCCNCC1CCOC1 2230a_100000737293_100011215890 [0,2,0,1,0,0|1,0,0]=4 45533 B12R1.37 CCOCCNCC1CCOC1 2230a_102516460346_100000702531 [0,2,0,1,0,0|1,0,0]=4 45534 B12R1.37 CCOCCNCC1CCOC1 34a_100000737293_100000210147 [0,2,0,1,0,0|1,0,0]=4 45535 B12R1.37 CCOCCNCC1CCOC1 34a_102516460346_100011261433 [0,2,0,1,0,0|1,0,0]=4 45536 B12R1.37 CCOCCNC[C@@H]1CCCO1 2230a_100020590478_100011215890 [0,2,0,1,0,0|1,0,0]=4 45537 B12R1.37 CCOCCNC[C@@H]1CCCO1 34a_100020590478_100000210147 [0,2,0,1,0,0|1,0,0]=4 45538 B12R1.37 CCOCCOCC1CC=CC1 34a_100000688395_100000210147 [0,2,0,1,0,0|0,0,1]=4 45539 B12R1.37 CCOCCOCC1CCCC1 34a_100000210136_100000740388 [0,2,0,1,0,0|0,0,0]=3 45540 B12R1.37 CCOCCOCC1CCCC1 34a_100000742336_100000210147 [0,2,0,1,0,0|0,0,0]=3 45541 B12R1.37 CCOCCOCC1CCCC1 7a_100000210136_100000740388 [0,2,0,1,0,0|0,0,0]=3 45542 B12R1.37 CCOCCOCC1CCCC1 7a_100000742336_100011215890 [0,2,0,1,0,0|0,0,0]=3 45543 B12R1.37 CCOCCOCC1CCCO1 34a_100000210270_100000210147 [0,2,0,1,0,0|0,0,0]=3 45544 B12R1.37 CCOCCOCC1CCCO1 7a_100000210136_100000203698 [0,2,0,1,0,0|0,0,0]=3 45545 B12R1.37 CCOCCOCC1CCCO1 7a_100000210270_100011215890 [0,2,0,1,0,0|0,0,0]=3 45546 B12R1.37 CCOCCOCC1CCNC1 34a_100000748654_100000210147 [0,2,0,1,0,0|0,0,0]=3 45547 B12R1.37 CCOCCOCC1CCOC1 34a_100000210136_100011261433 [0,2,0,1,0,0|0,0,0]=3 45548 B12R1.37 CCOCCOCC1CCOC1 34a_100000740260_100000210147 [0,2,0,1,0,0|0,0,0]=3 45549 B12R1.37 CCOCCOCC1CCOC1 7a_100000210136_100000702531 [0,2,0,1,0,0|0,0,0]=3 45550 B12R1.37 CCOCCOCC1COCO1 34a_100011216627_100000210147 [0,2,0,1,0,0|1,0,0]=4 45551 B12R1.37 CCOCCOCC1OCCO1 34a_100000087154_100000210147 [0,2,0,1,0,0|1,0,0]=4 45552 B12R1.37 CCOCCOCC1OCCO1 34a_100000210136_100000755774 [0,2,0,1,0,0|1,0,0]=4 45553 B12R1.37 CCOCCOCC1OCCO1 7a_100000210136_100000755774 [0,2,0,1,0,0|1,0,0]=4 45554 B12R1.37 CCOCCOC[C@H]1CCCN1 34a_100000745186_100000210147 [0,2,0,1,0,0|0,0,0]=3 45555 B12R1.37 CCOCCSCC1CCCC1 62a_100000210147_100000740388 [0,2,0,1,0,0|0,1,0]=4 45556 B12R1.37 CCOCCSCC1CCCC1 62a_100000740388_100011215890 [0,2,0,1,0,0|0,1,0]=4 45557 B12R1.37 CCOCCSCC1CCCO1 62a_100000203698_100011215890 [0,2,0,1,0,0|0,1,0]=4 45558 B12R1.37 CCOCCSCC1CCCO1 62a_100000210147_100000203698 [0,2,0,1,0,0|0,1,0]=4 45559 B12R1.37 CCOCCSCC1CCOC1 62a_100000210147_100000702531 [0,2,0,1,0,0|0,1,0]=4 45560 B12R1.37 CCOCCSCC1CCOC1 62a_100000702531_100011215890 [0,2,0,1,0,0|0,1,0]=4 45561 B12R1.37 CCOCSCCC1CCCC1 62a_100000739092_100000760354 [0,2,0,1,0,0|1,0,0]=4 45562 B12R1.37 CCOCSCCC1CCCC1 62a_100000760354_100000739092 [0,2,0,1,0,0|1,0,0]=4 45563 B12R1.37 CCOCSCCN1CCCC1 62a_100000700749_100000739092 [0,2,0,1,0,0|1,0,0]=4 45564 B12R1.37 CCOCSCCN1CCCC1 62a_100000739092_100000004467 [0,2,0,1,0,0|1,0,0]=4 45565 B12R1.37 CCSCCCOC1CCCC1 34a_100011216438_100000179811 [0,2,0,1,0,0|0,0,0]=3 45566 B12R1.37 CCSCCCOC1CCCC1 7a_100011216438_100000179811 [0,2,0,1,0,0|0,0,0]=3 45567 B12R1.37 CCSCCCOC1CCOC1 34a_100011216438_100000690089 [0,2,0,1,0,0|0,0,0]=3 45568 B12R1.37 CCSCCCOC1CCOC1 7a_100011216438_100000731011 [0,2,0,1,0,0|0,0,0]=3 45569 B12R1.37 CCSCCNCC1CCCC1 2230a_100000106463_100000740388 [0,2,0,1,0,0|1,0,0]=4 45570 B12R1.37 CCSCCNCC1CCCC1 2230a_100000737975_100000757381 [0,2,0,1,0,0|1,0,0]=4 45571 B12R1.37 CCSCCNCC1CCCC1 269862a_100000106463_100000746403 [0,2,0,1,0,0|1,0,0]=4 45572 B12R1.37 CCSCCNCC1CCCC1 34a_100000737975_100000757381 [0,2,0,1,0,0|1,0,0]=4 45573 B12R1.37 CCSCCNCC1CCCO1 2230a_100000106463_100000203698 [0,2,0,1,0,0|1,0,0]=4 45574 B12R1.37 CCSCCNCC1CCOC1 2230a_100000106463_100000702531 [0,2,0,1,0,0|1,0,0]=4 45575 B12R1.37 CCSCCNCC1CCOC1 2230a_100000737293_100000757381 [0,2,0,1,0,0|1,0,0]=4 45576 B12R1.37 CCSCCNCC1CCOC1 34a_100000737293_100000757381 [0,2,0,1,0,0|1,0,0]=4 45577 B12R1.37 CCSCCNC[C@@H]1CCCO1 2230a_100020590478_100000757381 [0,2,0,1,0,0|1,0,0]=4 45578 B12R1.37 CCSCCNC[C@@H]1CCCO1 34a_100020590478_100000757381 [0,2,0,1,0,0|1,0,0]=4 45579 B12R1.37 CCSCCOCC1CC=CC1 34a_100000688395_100000757381 [0,2,0,1,0,0|0,0,1]=4 45580 B12R1.37 CCSCCOCC1CCCC1 34a_100000212035_100000740388 [0,2,0,1,0,0|0,0,0]=3 45581 B12R1.37 CCSCCOCC1CCCC1 34a_100000742336_100000757381 [0,2,0,1,0,0|0,0,0]=3 45582 B12R1.37 CCSCCOCC1CCCC1 7a_100000212035_100000740388 [0,2,0,1,0,0|0,0,0]=3 45583 B12R1.37 CCSCCOCC1CCCC1 7a_100000742336_100000757381 [0,2,0,1,0,0|0,0,0]=3 45584 B12R1.37 CCSCCOCC1CCCO1 34a_100000210270_100000757381 [0,2,0,1,0,0|0,0,0]=3 45585 B12R1.37 CCSCCOCC1CCCO1 7a_100000210270_100000757381 [0,2,0,1,0,0|0,0,0]=3 45586 B12R1.37 CCSCCOCC1CCCO1 7a_100000212035_100000203698 [0,2,0,1,0,0|0,0,0]=3 45587 B12R1.37 CCSCCOCC1CCNC1 34a_100000748654_100000757381 [0,2,0,1,0,0|0,0,0]=3 45588 B12R1.37 CCSCCOCC1CCOC1 34a_100000212035_100011261433 [0,2,0,1,0,0|0,0,0]=3 45589 B12R1.37 CCSCCOCC1CCOC1 34a_100000740260_100000757381 [0,2,0,1,0,0|0,0,0]=3 45590 B12R1.37 CCSCCOCC1CCOC1 7a_100000212035_100000702531 [0,2,0,1,0,0|0,0,0]=3 45591 B12R1.37 CCSCCOCC1COCO1 34a_100011216627_100000757381 [0,2,0,1,0,0|1,0,0]=4 45592 B12R1.37 CCSCCOCC1OCCO1 34a_100000087154_100000757381 [0,2,0,1,0,0|1,0,0]=4 45593 B12R1.37 CCSCCOCC1OCCO1 34a_100000212035_100000755774 [0,2,0,1,0,0|1,0,0]=4 45594 B12R1.37 CCSCCOCC1OCCO1 7a_100000212035_100000755774 [0,2,0,1,0,0|1,0,0]=4 45595 B12R1.37 CCSCCOC[C@H]1CCCN1 34a_100000745186_100000757381 [0,2,0,1,0,0|0,0,0]=3 45596 B12R1.37 CCSCCSCC1CCCC1 62a_100000740388_100000757381 [0,2,0,1,0,0|0,1,0]=4 45597 B12R1.37 CCSCCSCC1CCCC1 62a_100000757381_100000740388 [0,2,0,1,0,0|0,1,0]=4 45598 B12R1.37 CCSCCSCC1CCCO1 62a_100000203698_100000757381 [0,2,0,1,0,0|0,1,0]=4 45599 B12R1.37 CCSCCSCC1CCCO1 62a_100000757381_100000203698 [0,2,0,1,0,0|0,1,0]=4 45600 B12R1.37 CCSCCSCC1CCOC1 62a_100000702531_100000757381 [0,2,0,1,0,0|0,1,0]=4 45601 B12R1.37 CCSCCSCC1CCOC1 62a_100000757381_100000702531 [0,2,0,1,0,0|0,1,0]=4 45602 B12R1.37 CNCCCOCC1CCCC1 34a_100000213112_100000740388 [0,2,0,1,0,0|0,0,0]=3 45603 B12R1.37 CNCCCOCC1CCOC1 34a_100000213112_100011261433 [0,2,0,1,0,0|0,0,0]=3 45604 B12R1.37 CNCCCOCC1OCCO1 34a_100000213112_100000755774 [0,2,0,1,0,0|1,0,0]=4 45605 B12R1.37 COCCCCNC1CCCC1 2230a_100000211070_100000730899 [0,2,0,1,0,0|1,0,0]=4 45606 B12R1.37 COCCCCNC1CCCC1 34a_100000211070_100000755781 [0,2,0,1,0,0|1,0,0]=4 45607 B12R1.37 COCCCCN[C@@H]1CCOC1 2230a_200015188469_100000730899 [0,2,0,1,0,0|1,0,0]=4 45608 B12R1.37 COCCCCN[C@H]1CCOC1 2230a_100015188467_100000730899 [0,2,0,1,0,0|1,0,0]=4 45609 B12R1.37 COCCCCN[C@H]1CCOC1 34a_100015188467_100000755781 [0,2,0,1,0,0|1,0,0]=4 45610 B12R1.37 COCCCCOC1CCCC1 34a_100000210269_100000755781 [0,2,0,1,0,0|0,0,0]=3 45611 B12R1.37 COCCCCOC1CCCC1 34a_100000740925_100000179811 [0,2,0,1,0,0|0,0,0]=3 45612 B12R1.37 COCCCCOC1CCCC1 7a_100000210269_100000730899 [0,2,0,1,0,0|0,0,0]=3 45613 B12R1.37 COCCCCOC1CCCO1 34a_100000085407_100000755781 [0,2,0,1,0,0|0,0,0]=3 45614 B12R1.37 COCCCCOC1CCCO1 34a_100011018183_200000210301 [0,2,0,1,0,0|0,0,0]=3 45615 B12R1.37 COCCCCOC1CCCO1 7a_100011018183_200000210301 [0,2,0,1,0,0|0,0,0]=3 45616 B12R1.37 COCCCCOC1CCOC1 34a_100000740925_100000690089 [0,2,0,1,0,0|0,0,0]=3 45617 B12R1.37 COCCCCOC1CCSC1 7a_100011232664_100000730899 [0,2,0,1,0,0|0,0,0]=3 45618 B12R1.37 COCCCCO[C@H]1CCOC1 34a_100000717292_100000755781 [0,2,0,1,0,0|0,0,0]=3 45619 B12R1.37 COCCCCSC1CCCC1 62a_100000730899_100000179811 [0,2,0,1,0,0|0,1,0]=4 45620 B12R1.37 COCCCCSC1CCCC1 62a_100011217020_100000730899 [0,2,0,1,0,0|0,1,0]=4 45621 B12R1.37 COCCCCSC1CCOC1 62a_100000730899_100000690089 [0,2,0,1,0,0|0,1,0]=4 45622 B12R1.37 COCCCNCC1CCCC1 2230a_100000737975_100000740836 [0,2,0,1,0,0|1,0,0]=4 45623 B12R1.37 COCCCNCC1CCCC1 269862a_100150723488_100000746403 [0,2,0,1,0,0|1,0,0]=4 45624 B12R1.37 COCCCNCC1CCCC1 34a_100000737975_100000740836 [0,2,0,1,0,0|1,0,0]=4 45625 B12R1.37 COCCCNCC1CCCC1 34a_100150723488_100000740388 [0,2,0,1,0,0|1,0,0]=4 45626 B12R1.37 COCCCNCC1CCOC1 2230a_100000737293_100000740836 [0,2,0,1,0,0|1,0,0]=4 45627 B12R1.37 COCCCNCC1CCOC1 34a_100000737293_100000740836 [0,2,0,1,0,0|1,0,0]=4 45628 B12R1.37 COCCCNCC1CCOC1 34a_100150723488_100011261433 [0,2,0,1,0,0|1,0,0]=4 45629 B12R1.37 COCCCNC[C@@H]1CCCO1 2230a_100020590478_100000740836 [0,2,0,1,0,0|1,0,0]=4 45630 B12R1.37 COCCCNC[C@@H]1CCCO1 34a_100020590478_100000740836 [0,2,0,1,0,0|1,0,0]=4 45631 B12R1.37 COCCCOCC1CC=CC1 34a_100000688395_100000740836 [0,2,0,1,0,0|0,0,1]=4 45632 B12R1.37 COCCCOCC1CCCC1 34a_100000740835_100000740388 [0,2,0,1,0,0|0,0,0]=3 45633 B12R1.37 COCCCOCC1CCCC1 34a_100000742336_100000740836 [0,2,0,1,0,0|0,0,0]=3 45634 B12R1.37 COCCCOCC1CCCC1 7a_100000742336_100000740836 [0,2,0,1,0,0|0,0,0]=3 45635 B12R1.37 COCCCOCC1CCCO1 34a_100000210270_100000740836 [0,2,0,1,0,0|0,0,0]=3 45636 B12R1.37 COCCCOCC1CCCO1 7a_100000210270_100000740836 [0,2,0,1,0,0|0,0,0]=3 45637 B12R1.37 COCCCOCC1CCNC1 34a_100000748654_100000740836 [0,2,0,1,0,0|0,0,0]=3 45638 B12R1.37 COCCCOCC1CCOC1 34a_100000740260_100000740836 [0,2,0,1,0,0|0,0,0]=3 45639 B12R1.37 COCCCOCC1CCOC1 34a_100000740835_100011261433 [0,2,0,1,0,0|0,0,0]=3 45640 B12R1.37 COCCCOCC1COCO1 34a_100011216627_100000740836 [0,2,0,1,0,0|1,0,0]=4 45641 B12R1.37 COCCCOCC1OCCO1 34a_100000087154_100000740836 [0,2,0,1,0,0|1,0,0]=4 45642 B12R1.37 COCCCOCC1OCCO1 34a_100000740835_100000755774 [0,2,0,1,0,0|1,0,0]=4 45643 B12R1.37 COCCCOC[C@H]1CCCN1 34a_100000745186_100000740836 [0,2,0,1,0,0|0,0,0]=3 45644 B12R1.37 COCCCSCC1CCCC1 62a_100000709357_100000740388 [0,2,0,1,0,0|0,1,0]=4 45645 B12R1.37 COCCCSCC1CCCC1 62a_100000740388_100000709357 [0,2,0,1,0,0|0,1,0]=4 45646 B12R1.37 COCCCSCC1CCCO1 62a_100000203698_100000709357 [0,2,0,1,0,0|0,1,0]=4 45647 B12R1.37 COCCCSCC1CCCO1 62a_100000709357_100000203698 [0,2,0,1,0,0|0,1,0]=4 45648 B12R1.37 COCCCSCC1CCOC1 62a_100000702531_100000709357 [0,2,0,1,0,0|0,1,0]=4 45649 B12R1.37 COCCCSCC1CCOC1 62a_100000709357_100000702531 [0,2,0,1,0,0|0,1,0]=4 45650 B12R1.37 COCCNCCC1CCCC1 2230a_100000209980_100000760354 [0,2,0,1,0,0|1,0,0]=4 45651 B12R1.37 COCCNCCC1CCCC1 2230a_100000739158_100011201679 [0,2,0,1,0,0|1,0,0]=4 45652 B12R1.37 COCCNCCC1CCCC1 34a_100000739158_100011201679 [0,2,0,1,0,0|1,0,0]=4 45653 B12R1.37 COCCOCCC1CCCC1 34a_100000210237_100000760354 [0,2,0,1,0,0|1,0,0]=4 45654 B12R1.37 COCCOCCC1CCCC1 34a_100000749090_100011201679 [0,2,0,1,0,0|1,0,0]=4 45655 B12R1.37 COCCOCCC1CCCC1 7a_100000749090_100000233755 [0,2,0,1,0,0|1,0,0]=4 45656 B12R1.37 COCCOCCC1CCNC1 34a_100016987287_100011201679 [0,2,0,1,0,0|1,0,0]=4 45657 B12R1.37 COCCOCCC1CCOC1 34a_100011879284_100011201679 [0,2,0,1,0,0|1,0,0]=4 45658 B12R1.37 COCCOCCC1OCCO1 34a_100000210237_100000740749 [0,2,0,1,0,0|1,0,0]=4 45659 B12R1.37 COCCOCCN1CCCC1 2230a_100000188435_100000695917 [0,2,0,1,0,0|1,0,0]=4 45660 B12R1.37 COCCOCCN1CCCC1 269982a_100000188435_100000695917 [0,2,0,1,0,0|1,0,0]=4 45661 B12R1.37 COCCOCCN1CCSC1 2230a_100011215254_100000695917 [0,2,0,1,0,0|1,0,0]=4 45662 B12R1.37 COCCOCCN1CCSC1 269982a_100011215254_100000695917 [0,2,0,1,0,0|1,0,0]=4 45663 B12R1.37 COCCOCNC1CCCC1 2230a_100000211070_100000231047 [0,2,0,1,0,0|1,0,0]=4 45664 B12R1.37 COCCOCN[C@@H]1CCOC1 2230a_200015188469_100000231047 [0,2,0,1,0,0|1,0,0]=4 45665 B12R1.37 COCCOCN[C@H]1CCOC1 2230a_100015188467_100000231047 [0,2,0,1,0,0|1,0,0]=4 45666 B12R1.37 COCCOCSC1CCCC1 62a_100000231047_100000179811 [0,2,0,1,0,0|0,1,0]=4 45667 B12R1.37 COCCOCSC1CCCC1 62a_100011217020_100000231047 [0,2,0,1,0,0|0,1,0]=4 45668 B12R1.37 COCCOCSC1CCOC1 62a_100000231047_100000690089 [0,2,0,1,0,0|1,0,0]=4 45669 B12R1.37 COCCSCCC1CCCC1 62a_100000233755_100000760354 [0,2,0,1,0,0|1,0,0]=4 45670 B12R1.37 COCCSCCC1CCCC1 62a_100000760354_100000233755 [0,2,0,1,0,0|1,0,0]=4 45671 B12R1.37 COCCSCCN1CCCC1 62a_100000233755_100000004467 [0,2,0,1,0,0|1,0,0]=4 45672 B12R1.37 COCCSCCN1CCCC1 62a_100000700749_100000233755 [0,2,0,1,0,0|1,0,0]=4 45673 B12R1.37 COCNCCCC1CCCC1 2230a_100000736752_100000766300 [0,2,0,1,0,0|1,0,0]=4 45674 B12R1.37 COCSCCCC1CCCC1 62a_100000766300_100011713738 [0,2,0,1,0,0|1,0,0]=4 45675 B12R1.37 COCSCCCC1CCCC1 62a_100011713738_100000766300 [0,2,0,1,0,0|1,0,0]=4 45676 B12R1.37 COCSCCCN1CCCC1 62a_100000766300_100011445909 [0,2,0,1,0,0|1,0,0]=4 45677 B12R1.37 COCSCCCN1CCCC1 62a_100016991639_100000766300 [0,2,0,1,0,0|1,0,0]=4 45678 B12R1.37 CSCCCCOC1CCCC1 34a_100011217163_100000179811 [0,2,0,1,0,0|0,0,0]=3 45679 B12R1.37 CSCCCCOC1CCCC1 7a_100011217163_100000179811 [0,2,0,1,0,0|0,0,0]=3 45680 B12R1.37 CSCCCCOC1CCOC1 34a_100011217163_100000690089 [0,2,0,1,0,0|0,0,0]=3 45681 B12R1.37 CSCCCCOC1CCOC1 7a_100011217163_100000731011 [0,2,0,1,0,0|0,0,0]=3 45682 B12R1.37 CSCCCNCC1CCCC1 2230a_100000749238_100000740388 [0,2,0,1,0,0|1,0,0]=4 45683 B12R1.37 CSCCCNCC1CCCC1 269862a_100000749238_100000746403 [0,2,0,1,0,0|1,0,0]=4 45684 B12R1.37 CSCCCNCC1CCCO1 2230a_100000749238_100000203698 [0,2,0,1,0,0|1,0,0]=4 45685 B12R1.37 CSCCCNCC1CCOC1 2230a_100000749238_100000702531 [0,2,0,1,0,0|1,0,0]=4 45686 B12R1.37 CSCCCOCC1CCCC1 34a_100000690336_100000740388 [0,2,0,1,0,0|0,0,0]=3 45687 B12R1.37 CSCCCOCC1CCCC1 7a_100000690336_100000740388 [0,2,0,1,0,0|0,0,0]=3 45688 B12R1.37 CSCCCOCC1CCCO1 7a_100000690336_100000203698 [0,2,0,1,0,0|0,0,0]=3 45689 B12R1.37 CSCCCOCC1CCOC1 34a_100000690336_100011261433 [0,2,0,1,0,0|0,0,0]=3 45690 B12R1.37 CSCCCOCC1CCOC1 7a_100000690336_100000702531 [0,2,0,1,0,0|0,0,0]=3 45691 B12R1.37 CSCCCOCC1OCCO1 34a_100000690336_100000755774 [0,2,0,1,0,0|1,0,0]=4 45692 B12R1.37 CSCCCOCC1OCCO1 7a_100000690336_100000755774 [0,2,0,1,0,0|1,0,0]=4 45693 B12R1.37 CSCCNCCC1CCCC1 2230a_100000739158_100000751147 [0,2,0,1,0,0|1,0,0]=4 45694 B12R1.37 CSCCNCCC1CCCC1 2230a_100020590264_100000760354 [0,2,0,1,0,0|1,0,0]=4 45695 B12R1.37 CSCCNCCC1CCCC1 34a_100000739158_100000212216 [0,2,0,1,0,0|1,0,0]=4 45696 B12R1.37 CSCCOCCC1CCCC1 34a_100000230434_100000760354 [0,2,0,1,0,0|1,0,0]=4 45697 B12R1.37 CSCCOCCC1CCCC1 34a_100000749090_100000212216 [0,2,0,1,0,0|1,0,0]=4 45698 B12R1.37 CSCCOCCC1CCCC1 7a_100000230434_100000760354 [0,2,0,1,0,0|1,0,0]=4 45699 B12R1.37 CSCCOCCC1CCCC1 7a_100000749090_100000212216 [0,2,0,1,0,0|1,0,0]=4 45700 B12R1.37 CSCCOCCC1CCNC1 34a_100016987287_100000212216 [0,2,0,1,0,0|1,0,0]=4 45701 B12R1.37 CSCCOCCC1CCOC1 34a_100011879284_100000212216 [0,2,0,1,0,0|1,0,0]=4 45702 B12R1.37 CSCCOCCC1OCCO1 34a_100000230434_100000740749 [0,2,0,1,0,0|1,0,0]=4 45703 B12R1.37 CSCCOCCC1OCCO1 7a_100000230434_100000740749 [0,2,0,1,0,0|1,0,0]=4 45704 B12R1.37 CSCCOCCN1CCCC1 7a_100000230434_100000004467 [0,2,0,1,0,0|1,0,0]=4 45705 B12R1.37 CSCCSCCC1CCCC1 62a_100000212216_100000760354 [0,2,0,1,0,0|1,0,0]=4 45706 B12R1.37 CSCCSCCC1CCCC1 62a_100000760354_100000751147 [0,2,0,1,0,0|1,0,0]=4 45707 B12R1.37 CSCCSCCN1CCCC1 62a_100000212216_100000004467 [0,2,0,1,0,0|1,0,0]=4 45708 B12R1.37 CSCCSCCN1CCCC1 62a_100000700749_100000751147 [0,2,0,1,0,0|1,0,0]=4 45709 B12R1.37 CSCNCCCC1CCCC1 2230a_100000736752_100011218213 [0,2,0,1,0,0|1,0,0]=4 45710 B12R1.37 CSCNCCCC1CCCC1 34a_100000736752_100011218213 [0,2,0,1,0,0|1,0,0]=4 45711 B12R1.37 CSCNCCOC1CCCC1 34a_100000741755_100011218213 [0,2,0,1,0,0|0,0,0]=3 45712 B12R1.37 CSCOCCCC1CCCC1 34a_100011215328_100011218213 [0,2,0,1,0,0|1,0,0]=4 45713 B12R1.37 CSCOCCNC1CCCC1 34a_200000200444_100011218213 [0,2,0,1,0,0|1,0,0]=4 45714 B12R1.37 CSCOCCOC1CCCC1 34a_100000738311_100011218213 [0,2,0,1,0,0|0,0,0]=3 45715 B12R1.37 CSCSCCCC1CCCC1 62a_100011218213_100011713738 [0,2,0,1,0,0|1,0,0]=4 45716 B12R1.37 CSCSCCCC1CCCC1 62a_100011713738_100011218213 [0,2,0,1,0,0|1,0,0]=4 45717 B12R1.37 CSCSCCCN1CCCC1 62a_100011218213_100011445909 [0,2,0,1,0,0|1,0,0]=4 45718 B12R1.37 CSCSCCCN1CCCC1 62a_100016991639_100011218213 [0,2,0,1,0,0|1,0,0]=4 45719 B12R1.37 ClCCCCCOC1CCCC1 34a_100000746330_100000179811 [0,2,0,1,0,0|0,0,0]=3 45720 B12R1.37 ClCCCCCOC1CCCC1 7a_100000746330_100000179811 [0,2,0,1,0,0|0,0,0]=3 45721 B12R1.37 ClCCCCCOC1CCOC1 34a_100000746330_100000690089 [0,2,0,1,0,0|0,0,0]=3 45722 B12R1.37 ClCCCCCOC1CCOC1 7a_100000746330_100000731011 [0,2,0,1,0,0|0,0,0]=3 45723 B12R1.37 ClCCCCOCC1CCCC1 34a_100000210776_100000740388 [0,2,0,1,0,0|0,0,0]=3 45724 B12R1.37 ClCCCCOCC1CCCC1 7a_100000210776_100000740388 [0,2,0,1,0,0|0,0,0]=3 45725 B12R1.37 ClCCCCOCC1CCCO1 7a_100000210776_100000203698 [0,2,0,1,0,0|0,0,0]=3 45726 B12R1.37 ClCCCCOCC1CCOC1 34a_100000210776_100011261433 [0,2,0,1,0,0|0,0,0]=3 45727 B12R1.37 ClCCCCOCC1CCOC1 7a_100000210776_100000702531 [0,2,0,1,0,0|0,0,0]=3 45728 B12R1.37 ClCCCCOCC1OCCO1 34a_100000210776_100000755774 [0,2,0,1,0,0|1,0,0]=4 45729 B12R1.37 ClCCCCOCC1OCCO1 7a_100000210776_100000755774 [0,2,0,1,0,0|1,0,0]=4 45730 B12R1.37 ClCCCOCCC1CCCC1 34a_100000230001_100000760354 [0,2,0,1,0,0|1,0,0]=4 45731 B12R1.37 ClCCCOCCC1OCCO1 34a_100000230001_100000740749 [0,2,0,1,0,0|1,0,0]=4 45732 B12R1.37 ClCCOCCOC1CCCC1 34a_100011215305_100000179811 [0,2,0,1,0,0|0,0,0]=3 45733 B12R1.37 ClCCOCCOC1CCCC1 7a_100011215305_100000179811 [0,2,0,1,0,0|0,0,0]=3 45734 B12R1.37 ClCCOCCOC1CCOC1 34a_100011215305_100000690089 [0,2,0,1,0,0|1,0,0]=4 45735 B12R1.37 ClCCOCCOC1CCOC1 7a_100011215305_100000731011 [0,2,0,1,0,0|1,0,0]=4 45736 B12R1.37 FCCCCCCN1CCCC1 2230a_100000188435_100015922095 [0,2,0,1,0,0|1,0,0]=4 45737 B12R1.37 FCCCCCCN1CCCC1 269982a_100000188435_100015922095 [0,2,0,1,0,0|1,0,0]=4 45738 B12R1.37 FCCCCCNC1CCCC1 2230a_100000211070_100000729378 [0,2,0,1,0,0|1,0,0]=4 45739 B12R1.37 FCCCCCNC1CCCC1 34a_100000211070_100000729378 [0,2,0,1,0,0|1,0,0]=4 45740 B12R1.37 FCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000729378 [0,2,0,1,0,0|1,0,0]=4 45741 B12R1.37 FCCCCCN[C@H]1CCOC1 2230a_100015188467_100000729378 [0,2,0,1,0,0|1,0,0]=4 45742 B12R1.37 FCCCCCN[C@H]1CCOC1 34a_100015188467_100000729378 [0,2,0,1,0,0|1,0,0]=4 45743 B12R1.37 FCCCCCOC1CCCC1 34a_100000210269_100000729378 [0,2,0,1,0,0|0,0,0]=3 45744 B12R1.37 FCCCCCOC1CCCC1 7a_100000210269_100000729378 [0,2,0,1,0,0|0,0,0]=3 45745 B12R1.37 FCCCCCOC1CCCO1 34a_100000085407_100000729378 [0,2,0,1,0,0|0,0,0]=3 45746 B12R1.37 FCCCCCOC1CCSC1 7a_100011232664_100000729378 [0,2,0,1,0,0|0,0,0]=3 45747 B12R1.37 FCCCCCO[C@H]1CCOC1 34a_100000717292_100000729378 [0,2,0,1,0,0|0,0,0]=3 45748 B12R1.37 FCCCCCSC1CCCC1 62a_100000729378_100000179811 [0,2,0,1,0,0|0,1,0]=4 45749 B12R1.37 FCCCCCSC1CCCC1 62a_100011217020_100000729378 [0,2,0,1,0,0|0,1,0]=4 45750 B12R1.37 FCCCCCSC1CCOC1 62a_100000729378_100000690089 [0,2,0,1,0,0|0,1,0]=4 45751 B12R1.37 FCCCCNCC1CCCC1 2230a_100000737975_100000729493 [0,2,0,1,0,0|1,0,0]=4 45752 B12R1.37 FCCCCNCC1CCCC1 34a_100000737975_100000729493 [0,2,0,1,0,0|1,0,0]=4 45753 B12R1.37 FCCCCNCC1CCOC1 2230a_100000737293_100000729493 [0,2,0,1,0,0|1,0,0]=4 45754 B12R1.37 FCCCCNCC1CCOC1 34a_100000737293_100000729493 [0,2,0,1,0,0|1,0,0]=4 45755 B12R1.37 FCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000729493 [0,2,0,1,0,0|1,0,0]=4 45756 B12R1.37 FCCCCNC[C@@H]1CCCO1 34a_100020590478_100000729493 [0,2,0,1,0,0|1,0,0]=4 45757 B12R1.37 FCCCCOCC1CC=CC1 34a_100000688395_100000729493 [0,2,0,1,0,0|0,0,1]=4 45758 B12R1.37 FCCCCOCC1CCCC1 34a_100000742336_100000729493 [0,2,0,1,0,0|0,0,0]=3 45759 B12R1.37 FCCCCOCC1CCCC1 34a_100011995726_100000740388 [0,2,0,1,0,0|0,0,0]=3 45760 B12R1.37 FCCCCOCC1CCCC1 7a_100000742336_100000729493 [0,2,0,1,0,0|0,0,0]=3 45761 B12R1.37 FCCCCOCC1CCCC1 7a_100011995726_100000740388 [0,2,0,1,0,0|0,0,0]=3 45762 B12R1.37 FCCCCOCC1CCCO1 34a_100000210270_100000729493 [0,2,0,1,0,0|0,0,0]=3 45763 B12R1.37 FCCCCOCC1CCCO1 7a_100000210270_100000729493 [0,2,0,1,0,0|0,0,0]=3 45764 B12R1.37 FCCCCOCC1CCCO1 7a_100011995726_100000203698 [0,2,0,1,0,0|0,0,0]=3 45765 B12R1.37 FCCCCOCC1CCNC1 34a_100000748654_100000729493 [0,2,0,1,0,0|0,0,0]=3 45766 B12R1.37 FCCCCOCC1CCOC1 34a_100000740260_100000729493 [0,2,0,1,0,0|0,0,0]=3 45767 B12R1.37 FCCCCOCC1CCOC1 34a_100011995726_100011261433 [0,2,0,1,0,0|0,0,0]=3 45768 B12R1.37 FCCCCOCC1CCOC1 7a_100011995726_100000702531 [0,2,0,1,0,0|0,0,0]=3 45769 B12R1.37 FCCCCOCC1COCO1 34a_100011216627_100000729493 [0,2,0,1,0,0|1,0,0]=4 45770 B12R1.37 FCCCCOCC1OCCO1 34a_100000087154_100000729493 [0,2,0,1,0,0|1,0,0]=4 45771 B12R1.37 FCCCCOCC1OCCO1 34a_100011995726_100000755774 [0,2,0,1,0,0|1,0,0]=4 45772 B12R1.37 FCCCCOCC1OCCO1 7a_100011995726_100000755774 [0,2,0,1,0,0|1,0,0]=4 45773 B12R1.37 FCCCCOC[C@H]1CCCN1 34a_100000745186_100000729493 [0,2,0,1,0,0|0,0,0]=3 45774 B12R1.37 FCCCCSCC1CCCC1 62a_100000729493_100000740388 [0,2,0,1,0,0|0,1,0]=4 45775 B12R1.37 FCCCCSCC1CCCC1 62a_100000740388_100000729493 [0,2,0,1,0,0|0,1,0]=4 45776 B12R1.37 FCCCCSCC1CCCO1 62a_100000203698_100000729493 [0,2,0,1,0,0|0,1,0]=4 45777 B12R1.37 FCCCCSCC1CCCO1 62a_100000729493_100000203698 [0,2,0,1,0,0|0,1,0]=4 45778 B12R1.37 FCCCCSCC1CCOC1 62a_100000702531_100000729493 [0,2,0,1,0,0|0,1,0]=4 45779 B12R1.37 FCCCCSCC1CCOC1 62a_100000729493_100000702531 [0,2,0,1,0,0|0,1,0]=4 45780 B12R1.37 FCCCNCCC1CCCC1 2230a_100000739158_100011934791 [0,2,0,1,0,0|1,0,0]=4 45781 B12R1.37 FCCCNCCC1CCCC1 2230a_100015189416_100000760354 [0,2,0,1,0,0|1,0,0]=4 45782 B12R1.37 FCCCNCCC1CCCC1 34a_100000739158_100011934791 [0,2,0,1,0,0|1,0,0]=4 45783 B12R1.37 FCCCNCCC1CCCC1 34a_100015189416_100000760354 [0,2,0,1,0,0|1,0,0]=4 45784 B12R1.37 FCCCOCCC1CCCC1 34a_100000749090_100011934791 [0,2,0,1,0,0|1,0,0]=4 45785 B12R1.37 FCCCOCCC1CCCC1 34a_100000759539_100000760354 [0,2,0,1,0,0|1,0,0]=4 45786 B12R1.37 FCCCOCCC1CCCC1 7a_100000749090_100011934791 [0,2,0,1,0,0|1,0,0]=4 45787 B12R1.37 FCCCOCCC1CCNC1 34a_100016987287_100011934791 [0,2,0,1,0,0|1,0,0]=4 45788 B12R1.37 FCCCOCCC1CCOC1 34a_100011879284_100011934791 [0,2,0,1,0,0|1,0,0]=4 45789 B12R1.37 FCCCOCCC1OCCO1 34a_100000759539_100000740749 [0,2,0,1,0,0|1,0,0]=4 45790 B12R1.37 FCCCSCCC1CCCC1 62a_100000760354_100011934791 [0,2,0,1,0,0|1,0,0]=4 45791 B12R1.37 FCCCSCCC1CCCC1 62a_100011934791_100000760354 [0,2,0,1,0,0|1,0,0]=4 45792 B12R1.37 FCCCSCCN1CCCC1 62a_100000700749_100011934791 [0,2,0,1,0,0|1,0,0]=4 45793 B12R1.37 FCCCSCCN1CCCC1 62a_100011934791_100000004467 [0,2,0,1,0,0|1,0,0]=4 45794 B12R1.37 FCCNCCCC1CCCC1 2230a_100000736752_100011217306 [0,2,0,1,0,0|1,0,0]=4 45795 B12R1.37 FCCNCCCC1CCCC1 34a_100000724931_100011713738 [0,2,0,1,0,0|1,0,0]=4 45796 B12R1.37 FCCNCCCC1CCCC1 34a_100000736752_100011217306 [0,2,0,1,0,0|1,0,0]=4 45797 B12R1.37 FCCNCCCN1CCCC1 34a_100000724931_100016991639 [0,2,0,1,0,0|1,0,0]=4 45798 B12R1.37 FCCNCCOC1CCCC1 34a_100000741755_100011217306 [0,2,0,1,0,0|0,0,0]=3 45799 B12R1.37 FCCOCCCC1CCCC1 34a_100011215328_100011217306 [0,2,0,1,0,0|1,0,0]=4 45800 B12R1.37 FCCOCCCC1CCCC1 7a_100011215328_100011217306 [0,2,0,1,0,0|1,0,0]=4 45801 B12R1.37 FCCOCCNC1CCCC1 34a_200000200444_100011217306 [0,2,0,1,0,0|1,0,0]=4 45802 B12R1.37 FCCOCCOC1CCCC1 34a_100000738311_100011217306 [0,2,0,1,0,0|0,0,0]=3 45803 B12R1.37 FCCOCCOC1CCCC1 34a_200015357709_100000179811 [0,2,0,1,0,0|0,0,0]=3 45804 B12R1.37 FCCOCCOC1CCCC1 7a_100000738311_100011217306 [0,2,0,1,0,0|0,0,0]=3 45805 B12R1.37 FCCOCCOC1CCCC1 7a_200015357709_100000179811 [0,2,0,1,0,0|0,0,0]=3 45806 B12R1.37 FCCOCCOC1CCOC1 34a_200015357709_100000690089 [0,2,0,1,0,0|1,0,0]=4 45807 B12R1.37 FCCOCCOC1CCOC1 7a_200015357709_100000731011 [0,2,0,1,0,0|1,0,0]=4 45808 B12R1.37 FCCSCCCC1CCCC1 62a_100011217306_100011713738 [0,2,0,1,0,0|1,0,0]=4 45809 B12R1.37 FCCSCCCC1CCCC1 62a_100011713738_100011217306 [0,2,0,1,0,0|1,0,0]=4 45810 B12R1.37 FCCSCCCN1CCCC1 62a_100011217306_100011445909 [0,2,0,1,0,0|1,0,0]=4 45811 B12R1.37 FCCSCCCN1CCCC1 62a_100016991639_100011217306 [0,2,0,1,0,0|1,0,0]=4 45812 B12R1.37 FCNCCCOC1CCCC1 34a_100000747560_100015361967 [0,2,0,1,0,0|0,0,0]=3 45813 B12R1.37 ICCCCCOC1CCCC1 34a_200012148887_100000179811 [0,2,0,1,0,0|0,0,0]=3 45814 B12R1.37 ICCCCCOC1CCCC1 7a_200012148887_100000179811 [0,2,0,1,0,0|0,0,0]=3 45815 B12R1.37 ICCCCCOC1CCOC1 34a_200012148887_100000690089 [0,2,0,1,0,0|0,0,0]=3 45816 B12R1.37 ICCCCCOC1CCOC1 7a_200012148887_100000731011 [0,2,0,1,0,0|0,0,0]=3 45817 B12R1.37 ICCCCOCC1CCCC1 34a_200012148704_100000740388 [0,2,0,1,0,0|0,0,0]=3 45818 B12R1.37 ICCCCOCC1CCOC1 34a_200012148704_100011261433 [0,2,0,1,0,0|0,0,0]=3 45819 B12R1.37 ICCCCOCC1OCCO1 34a_200012148704_100000755774 [0,2,0,1,0,0|1,0,0]=4 45820 B12R1.37 ICCOCCOC1CCCC1 34a_100012149058_100000179811 [0,2,0,1,0,0|0,0,0]=3 45821 B12R1.37 ICCOCCOC1CCCC1 7a_100012149058_100000179811 [0,2,0,1,0,0|0,0,0]=3 45822 B12R1.37 ICCOCCOC1CCOC1 34a_100012149058_100000690089 [0,2,0,1,0,0|1,0,0]=4 45823 B12R1.37 ICCOCCOC1CCOC1 7a_100012149058_100000731011 [0,2,0,1,0,0|1,0,0]=4 45824 B12R1.37 N#CCCCCCN1CCCC1 2230a_100000188435_100009813376 [0,2,0,1,0,0|1,0,0]=4 45825 B12R1.37 N#CCCCCCN1CCCC1 269982a_100000188435_100009813376 [0,2,0,1,0,0|1,0,0]=4 45826 B12R1.37 N#CCCCCNC1CCCC1 2230a_100000211070_100000211819 [0,2,0,1,0,0|1,0,0]=4 45827 B12R1.37 N#CCCCCNC1CCCC1 270004a_100000751965_100000210133 [0,2,0,1,0,0|1,0,0]=4 45828 B12R1.37 N#CCCCCOC1CCCC1 7a_100000210269_100000211819 [0,2,0,1,0,0|0,0,0]=3 45829 B12R1.37 N#CCCCCOC1CCSC1 7a_100011232664_100000211819 [0,2,0,1,0,0|0,0,1]=4 45830 B12R1.37 N#CCCCCSC1CCCC1 62a_100011217020_100000211819 [0,2,0,1,0,0|0,1,0]=4 45831 B12R1.37 N#CCCCCSC1CCCC1 62a_100011219923_100000179811 [0,2,0,1,0,0|0,1,0]=4 45832 B12R1.37 N#CCCCOCC1CCCC1 7a_100000742336_100000687738 [0,2,0,1,0,0|0,0,1]=4 45833 B12R1.37 N#CCCCOCC1CCCO1 7a_100000210270_100000687738 [0,2,0,1,0,0|0,0,1]=4 45834 B12R1.37 N#CCOCCOC1CCCC1 7a_100000210269_200000047693 [0,2,0,1,0,0|0,0,1]=4 45835 B12R1.37 N#CCOCCOC1CCCC1 7a_100000738311_100011215382 [0,2,0,1,0,0|0,0,1]=4 45836 B12R1.37 NCCCCCOC1CCCC1 34a_100000762737_100000179811 [0,2,0,1,0,0|0,0,0]=3 45837 B12R1.37 NCCCCCOC1CCOC1 34a_100000762737_100000690089 [0,2,0,1,0,0|0,0,0]=3 45838 B12R1.37 NCCCCOCC1CCCC1 34a_100000750430_100000740388 [0,2,0,1,0,0|0,0,0]=3 45839 B12R1.37 NCCCCOCC1CCOC1 34a_100000750430_100011261433 [0,2,0,1,0,0|0,0,0]=3 45840 B12R1.37 NCCCCOCC1OCCO1 34a_100000750430_100000755774 [0,2,0,1,0,0|1,0,0]=4 45841 B12R1.37 NCCCOCCC1CCCC1 34a_100000182051_100000760354 [0,2,0,1,0,0|1,0,0]=4 45842 B12R1.37 NCCCOCCC1OCCO1 34a_100000182051_100000740749 [0,2,0,1,0,0|1,0,0]=4 45843 B12R1.37 NCCOCCCC1CCCC1 34a_100000210304_100011713738 [0,2,0,1,0,0|1,0,0]=4 45844 B12R1.37 NCCOCCCN1CCCC1 34a_100000210304_100016991639 [0,2,0,1,0,0|1,0,0]=4 45845 B12R1.37 NCCOCCOC1CCCC1 34a_100000211614_100000179811 [0,2,0,1,0,0|0,0,0]=3 45846 B12R1.37 NCCOCCOC1CCOC1 34a_100000211614_100000690089 [0,2,0,1,0,0|1,0,0]=4 45847 B12R1.37 O=CCCCCCN1CCCC1 2230a_100000188435_100000139337 [0,2,0,1,0,0|1,0,0]=4 45848 B12R1.37 O=CCCCCCN1CCCC1 269982a_100000188435_100000139337 [0,2,0,1,0,0|1,0,0]=4 45849 B12R1.37 O=CCCCCNC1CCCC1 2230a_100000211070_100000139335 [0,2,0,1,0,0|1,0,0]=4 45850 B12R1.37 O=CCCCCOC1CCCC1 7a_100000210269_100000139335 [0,2,0,1,0,0|0,0,0]=3 45851 B12R1.37 O=CCCCCOC1CCSC1 7a_100011232664_100000139335 [0,2,0,1,0,0|0,0,1]=4 45852 B12R1.37 O=CCCCCSC1CCCC1 62a_100000139335_100000179811 [0,2,0,1,0,0|0,1,0]=4 45853 B12R1.37 O=CCCCCSC1CCCC1 62a_100011217020_100000139335 [0,2,0,1,0,0|0,1,0]=4 45854 B12R1.37 O=CCCCOCC1CCCC1 7a_100000742336_200011292268 [0,2,0,1,0,0|0,0,1]=4 45855 B12R1.37 O=CCCCOCC1CCCO1 7a_100000210270_200011292268 [0,2,0,1,0,0|0,0,1]=4 45856 B12R1.37 O=CCNCCOC1CCCC1 34a_100000741755_200009817547 [0,2,0,1,0,0|0,0,1]=4 45857 B12R1.37 O=CCOCCOC1CCCC1 34a_100000738311_200009817547 [0,2,0,1,0,0|0,0,1]=4 45858 B12R1.37 O=CCOCCOC1CCCC1 7a_100000738311_200015260668 [0,2,0,1,0,0|0,0,1]=4 45859 B12R1.37 OCCCCCCN1CCCC1 2230a_100000188435_100000766143 [0,2,0,1,0,0|1,0,0]=4 45860 B12R1.37 OCCCCCCN1CCCC1 269982a_100000188435_100000766143 [0,2,0,1,0,0|1,0,0]=4 45861 B12R1.37 OCCCCCNC1CCCC1 2230a_100000211070_100000746330 [0,2,0,1,0,0|1,0,0]=4 45862 B12R1.37 OCCCCCNC1CCCC1 2230a_100000762737_100000179811 [0,2,0,1,0,0|1,0,0]=4 45863 B12R1.37 OCCCCCNC1CCCC1 270004a_100000762737_100000210133 [0,2,0,1,0,0|1,0,0]=4 45864 B12R1.37 OCCCCCNC1CCCC1 34a_100000211070_100000746330 [0,2,0,1,0,0|1,0,0]=4 45865 B12R1.37 OCCCCCNC1CCCC1 34a_100000762737_100000179811 [0,2,0,1,0,0|1,0,0]=4 45866 B12R1.37 OCCCCCNC1CCOC1 2230a_100000762737_100000731011 [0,2,0,1,0,0|1,0,0]=4 45867 B12R1.37 OCCCCCNC1CCOC1 270004a_100000762737_100000752484 [0,2,0,1,0,0|1,0,0]=4 45868 B12R1.37 OCCCCCNC1CCOC1 34a_100000762737_100000690089 [0,2,0,1,0,0|1,0,0]=4 45869 B12R1.37 OCCCCCNC1CCSC1 270004a_100000762737_100000212027 [0,2,0,1,0,0|1,0,0]=4 45870 B12R1.37 OCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000746330 [0,2,0,1,0,0|1,0,0]=4 45871 B12R1.37 OCCCCCN[C@H]1CCOC1 2230a_100015188467_100000746330 [0,2,0,1,0,0|1,0,0]=4 45872 B12R1.37 OCCCCCN[C@H]1CCOC1 34a_100015188467_100000746330 [0,2,0,1,0,0|1,0,0]=4 45873 B12R1.37 OCCCCCOC1CCCC1 34a_100000210269_100000746330 [0,2,0,1,0,0|0,0,0]=3 45874 B12R1.37 OCCCCCOC1CCCC1 7a_100000210269_100000746330 [0,2,0,1,0,0|0,0,0]=3 45875 B12R1.37 OCCCCCOC1CCCO1 34a_100000085407_100000746330 [0,2,0,1,0,0|0,0,0]=3 45876 B12R1.37 OCCCCCOC1CCSC1 7a_100011232664_100000746330 [0,2,0,1,0,0|0,0,0]=3 45877 B12R1.37 OCCCCCO[C@H]1CCOC1 34a_100000717292_100000746330 [0,2,0,1,0,0|0,0,0]=3 45878 B12R1.37 OCCCCCSC1CCCC1 62a_100000746330_100000179811 [0,2,0,1,0,0|0,1,0]=4 45879 B12R1.37 OCCCCCSC1CCCC1 62a_100011217020_100000746330 [0,2,0,1,0,0|0,1,0]=4 45880 B12R1.37 OCCCCCSC1CCOC1 62a_100000746330_100000690089 [0,2,0,1,0,0|0,1,0]=4 45881 B12R1.37 OCCCCNCC1CCCC1 2230a_100000737975_100000210776 [0,2,0,1,0,0|1,0,0]=4 45882 B12R1.37 OCCCCNCC1CCCC1 2230a_100000750430_100000740388 [0,2,0,1,0,0|1,0,0]=4 45883 B12R1.37 OCCCCNCC1CCCC1 269862a_100000750430_100000746403 [0,2,0,1,0,0|1,0,0]=4 45884 B12R1.37 OCCCCNCC1CCCC1 34a_100000737975_100011216708 [0,2,0,1,0,0|1,0,0]=4 45885 B12R1.37 OCCCCNCC1CCCC1 34a_100000750430_100000740388 [0,2,0,1,0,0|1,0,0]=4 45886 B12R1.37 OCCCCNCC1CCCO1 2230a_100000750430_100000203698 [0,2,0,1,0,0|1,0,0]=4 45887 B12R1.37 OCCCCNCC1CCOC1 2230a_100000737293_100000210776 [0,2,0,1,0,0|1,0,0]=4 45888 B12R1.37 OCCCCNCC1CCOC1 2230a_100000750430_100000702531 [0,2,0,1,0,0|1,0,0]=4 45889 B12R1.37 OCCCCNCC1CCOC1 34a_100000737293_100011216708 [0,2,0,1,0,0|1,0,0]=4 45890 B12R1.37 OCCCCNCC1CCOC1 34a_100000750430_100011261433 [0,2,0,1,0,0|1,0,0]=4 45891 B12R1.37 OCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210776 [0,2,0,1,0,0|1,0,0]=4 45892 B12R1.37 OCCCCNC[C@@H]1CCCO1 34a_100020590478_100011216708 [0,2,0,1,0,0|1,0,0]=4 45893 B12R1.37 OCCCCOCC1CC=CC1 34a_100000688395_100011216708 [0,2,0,1,0,0|0,0,1]=4 45894 B12R1.37 OCCCCOCC1CCCC1 34a_100000742336_100011216708 [0,2,0,1,0,0|0,0,0]=3 45895 B12R1.37 OCCCCOCC1CCCC1 7a_100000742336_100000210776 [0,2,0,1,0,0|0,0,0]=3 45896 B12R1.37 OCCCCOCC1CCCO1 34a_100000210270_100011216708 [0,2,0,1,0,0|0,0,0]=3 45897 B12R1.37 OCCCCOCC1CCCO1 7a_100000210270_100000210776 [0,2,0,1,0,0|0,0,0]=3 45898 B12R1.37 OCCCCOCC1CCNC1 34a_100000748654_100011216708 [0,2,0,1,0,0|0,0,0]=3 45899 B12R1.37 OCCCCOCC1CCOC1 34a_100000740260_100011216708 [0,2,0,1,0,0|0,0,0]=3 45900 B12R1.37 OCCCCOCC1COCO1 34a_100011216627_100011216708 [0,2,0,1,0,0|1,0,0]=4 45901 B12R1.37 OCCCCOCC1OCCO1 34a_100000087154_100011216708 [0,2,0,1,0,0|1,0,0]=4 45902 B12R1.37 OCCCCOC[C@H]1CCCN1 34a_100000745186_100011216708 [0,2,0,1,0,0|0,0,0]=3 45903 B12R1.37 OCCCCSCC1CCCC1 62a_100000210776_100000740388 [0,2,0,1,0,0|0,1,0]=4 45904 B12R1.37 OCCCCSCC1CCCC1 62a_100000740388_100000210776 [0,2,0,1,0,0|0,1,0]=4 45905 B12R1.37 OCCCCSCC1CCCO1 62a_100000203698_100000210776 [0,2,0,1,0,0|0,1,0]=4 45906 B12R1.37 OCCCCSCC1CCCO1 62a_100000210776_100000203698 [0,2,0,1,0,0|0,1,0]=4 45907 B12R1.37 OCCCCSCC1CCOC1 62a_100000210776_100000702531 [0,2,0,1,0,0|0,1,0]=4 45908 B12R1.37 OCCCCSCC1CCOC1 62a_100000702531_100000210776 [0,2,0,1,0,0|0,1,0]=4 45909 B12R1.37 OCCCNCCC1CCCC1 2230a_100000739158_100000230001 [0,2,0,1,0,0|1,0,0]=4 45910 B12R1.37 OCCCNCCC1CCCC1 34a_100000739158_100000230001 [0,2,0,1,0,0|1,0,0]=4 45911 B12R1.37 OCCCOCCC1CCCC1 34a_100000749090_100000230001 [0,2,0,1,0,0|1,0,0]=4 45912 B12R1.37 OCCCOCCC1CCCC1 7a_100000749090_100011215043 [0,2,0,1,0,0|1,0,0]=4 45913 B12R1.37 OCCCOCCC1CCNC1 34a_100016987287_100000230001 [0,2,0,1,0,0|1,0,0]=4 45914 B12R1.37 OCCCOCCC1CCOC1 34a_100011879284_100000230001 [0,2,0,1,0,0|1,0,0]=4 45915 B12R1.37 OCCCSCCC1CCCC1 62a_100000760354_100011215043 [0,2,0,1,0,0|1,0,0]=4 45916 B12R1.37 OCCCSCCC1CCCC1 62a_100011215043_100000760354 [0,2,0,1,0,0|1,0,0]=4 45917 B12R1.37 OCCCSCCN1CCCC1 62a_100000700749_100011215043 [0,2,0,1,0,0|1,0,0]=4 45918 B12R1.37 OCCCSCCN1CCCC1 62a_100011215043_100000004467 [0,2,0,1,0,0|1,0,0]=4 45919 B12R1.37 OCCNCCCC1CCCC1 2230a_100000736752_100000211926 [0,2,0,1,0,0|1,0,0]=4 45920 B12R1.37 OCCNCCCC1CCCC1 2230a_100016997473_100011713738 [0,2,0,1,0,0|1,0,0]=4 45921 B12R1.37 OCCNCCCC1CCCC1 34a_100000736752_100000211926 [0,2,0,1,0,0|1,0,0]=4 45922 B12R1.37 OCCNCCCC1CCCC1 34a_100016990907_100011713738 [0,2,0,1,0,0|1,0,0]=4 45923 B12R1.37 OCCNCCCN1CCCC1 2230a_100016997473_100011445909 [0,2,0,1,0,0|1,0,0]=4 45924 B12R1.37 OCCNCCCN1CCCC1 34a_100016990907_100016991639 [0,2,0,1,0,0|1,0,0]=4 45925 B12R1.37 OCCNCCOC1CCCC1 34a_100000741755_100000211926 [0,2,0,1,0,0|0,0,0]=3 45926 B12R1.37 OCCOCCCC1CCCC1 34a_100011215328_100000211926 [0,2,0,1,0,0|1,0,0]=4 45927 B12R1.37 OCCOCCCC1CCCC1 7a_100011215328_100000211926 [0,2,0,1,0,0|1,0,0]=4 45928 B12R1.37 OCCOCCNC1CCCC1 2230a_100000211070_100011215305 [0,2,0,1,0,0|1,0,0]=4 45929 B12R1.37 OCCOCCNC1CCCC1 2230a_100000211614_100000179811 [0,2,0,1,0,0|1,0,0]=4 45930 B12R1.37 OCCOCCNC1CCCC1 270004a_100000211614_100000210133 [0,2,0,1,0,0|1,0,0]=4 45931 B12R1.37 OCCOCCNC1CCCC1 34a_100000211070_100000692535 [0,2,0,1,0,0|1,0,0]=4 45932 B12R1.37 OCCOCCNC1CCCC1 34a_100000211614_100000179811 [0,2,0,1,0,0|1,0,0]=4 45933 B12R1.37 OCCOCCNC1CCCC1 34a_200000200444_100000211926 [0,2,0,1,0,0|1,0,0]=4 45934 B12R1.37 OCCOCCOC1CCCC1 34a_100000210269_100000692535 [0,2,0,1,0,0|0,0,0]=3 45935 B12R1.37 OCCOCCOC1CCCC1 34a_100000738311_100000211926 [0,2,0,1,0,0|0,0,0]=3 45936 B12R1.37 OCCOCCOC1CCCC1 7a_100000210269_100011215305 [0,2,0,1,0,0|0,0,0]=3 45937 B12R1.37 OCCOCCOC1CCCC1 7a_100000738311_100000211926 [0,2,0,1,0,0|0,0,0]=3 45938 B12R1.37 OCCOCCOC1CCCO1 34a_100000085407_100000692535 [0,2,0,1,0,0|1,0,0]=4 45939 B12R1.37 OCCOCCOC1CCSC1 7a_100011232664_100011215305 [0,2,0,1,0,0|1,0,0]=4 45940 B12R1.37 OCCOCCO[C@H]1CCOC1 34a_100000717292_100000692535 [0,2,0,1,0,0|1,0,0]=4 45941 B12R1.37 OCCOCCSC1CCCC1 62a_100011215305_100000179811 [0,2,0,1,0,0|0,1,0]=4 45942 B12R1.37 OCCOCCSC1CCCC1 62a_100011217020_100011215305 [0,2,0,1,0,0|0,1,0]=4 45943 B12R1.37 OCCSCCCC1CCCC1 62a_100000211926_100011713738 [0,2,0,1,0,0|1,0,0]=4 45944 B12R1.37 OCCSCCCC1CCCC1 62a_100011713738_100000211926 [0,2,0,1,0,0|1,0,0]=4 45945 B12R1.37 OCCSCCCN1CCCC1 62a_100000211926_100011445909 [0,2,0,1,0,0|1,0,0]=4 45946 B12R1.37 OCCSCCCN1CCCC1 62a_100016991639_100000211926 [0,2,0,1,0,0|1,0,0]=4 45947 B12R1.37 OCCSCCNC1CCCC1 2230a_100011219999_100000179811 [0,2,0,1,0,0|1,0,0]=4 45948 B12R1.37 OCCSCCNC1CCCC1 270004a_100011219999_100000210133 [0,2,0,1,0,0|1,0,0]=4 45949 B12R1.37 [13CH3]OCCCCOC1CCCO1 34a_100011018183_200025704644 [0,2,0,1,0,0|0,0,0]=3 45950 B12R1.37 [13CH3]OCCCCOC1CCCO1 7a_100011018183_200025704644 [0,2,0,1,0,0|0,0,0]=3 45951 B12R1.51 C=CCC(C)COC1CCCC1 34a_100009832082_100000179811 [0,2,0,1,0,0|0,0,1]=4 45952 B12R1.51 C=CCC(C)COC1CCCC1 7a_100009832082_100000179811 [0,2,0,1,0,0|0,0,1]=4 45953 B12R1.51 C=CC[C@@H](N)COC1CCCC1 34a_100020615467_100000179811 [0,2,0,1,0,0|0,0,1]=4 45954 B12R1.51 CC(CCBr)OCC1CCCC1 34a_100012276601_100000740388 [0,2,0,1,0,0|1,0,0]=4 45955 B12R1.51 CC(CCBr)OCC1CCOC1 34a_100012276601_100011261433 [0,2,0,1,0,0|1,0,0]=4 45956 B12R1.51 CC(CCN)COC1CCCC1 34a_106354213184_100000179811 [0,2,0,1,0,0|0,0,0]=3 45957 B12R1.51 CC(CCN)COC1CCOC1 34a_106354213184_100000690089 [0,2,0,1,0,0|1,0,0]=4 45958 B12R1.51 CC(CCO)OCC1CCCC1 34a_100000742336_100009893172 [0,2,0,1,0,0|1,0,0]=4 45959 B12R1.51 CC(CCO)OCC1CCCC1 7a_100000742336_100009893172 [0,2,0,1,0,0|1,0,0]=4 45960 B12R1.51 CC(CCO)OCC1CCCO1 34a_100000210270_100009893172 [0,2,0,1,0,0|1,0,0]=4 45961 B12R1.51 CC(CCO)OCC1CCCO1 7a_100000210270_100009893172 [0,2,0,1,0,0|1,0,0]=4 45962 B12R1.51 CC(CCO)OCC1CCNC1 34a_100000748654_100009893172 [0,2,0,1,0,0|1,0,0]=4 45963 B12R1.51 CC(CCO)OCC1CCOC1 34a_100000740260_100009893172 [0,2,0,1,0,0|1,0,0]=4 45964 B12R1.51 CC(CCO)OC[C@H]1CCCN1 34a_100000745186_100009893172 [0,2,0,1,0,0|1,0,0]=4 45965 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211120_100000210303 [0,2,0,1,0,0|1,0,0]=4 45966 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211992_100000760354 [0,2,0,1,0,0|1,0,0]=4 45967 B12R1.51 CCCC(=O)CCN1CCCC1 1458a_100000211992_100000004467 [0,2,0,1,0,0|1,0,0]=4 45968 B12R1.51 CCCC(=O)CCN1CCCC1 1458a_100000738983_100000210303 [0,2,0,1,0,0|1,0,0]=4 45969 B12R1.51 CCCC(=O)CNC1CCCC1 2230a_100000211070_100000747444 [0,2,0,1,0,0|1,0,0]=4 45970 B12R1.51 CCCC(=O)COC1CCCC1 1458a_100000741352_100000210303 [0,2,0,1,0,0|0,0,0]=3 45971 B12R1.51 CCCC(=O)COC1CCCC1 7a_100000210269_100000747444 [0,2,0,1,0,0|0,0,0]=3 45972 B12R1.51 CCCC(=O)COC1CCSC1 7a_100011232664_100000747444 [0,2,0,1,0,0|0,0,1]=4 45973 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100000747444_100000179811 [0,2,0,1,0,0|0,1,0]=4 45974 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100011217020_100000747444 [0,2,0,1,0,0|0,1,0]=4 45975 B12R1.51 CCCC(=O)OCN1CCCC1 2230a_100000188435_100000034017 [0,2,0,1,0,0|0,0,1]=4 45976 B12R1.51 CCCC(=O)OCN1CCCC1 269982a_100000188435_100000034017 [0,2,0,1,0,0|0,0,1]=4 45977 B12R1.51 CCCC(C)CNC1CCCC1 2230a_100000211070_100011216630 [0,2,0,1,0,0|1,0,0]=4 45978 B12R1.51 CCCC(C)CNC1CCCC1 270004a_100000211070_100000243154 [0,2,0,1,0,0|1,0,0]=4 45979 B12R1.51 CCCC(C)CNC1CCCC1 34a_100000211070_100011216630 [0,2,0,1,0,0|1,0,0]=4 45980 B12R1.51 CCCC(C)CN[C@@H]1CCOC1 2230a_200015188469_100011216630 [0,2,0,1,0,0|1,0,0]=4 45981 B12R1.51 CCCC(C)CN[C@@H]1CCOC1 270004a_200015188469_100000243154 [0,2,0,1,0,0|1,0,0]=4 45982 B12R1.51 CCCC(C)CN[C@H]1CCOC1 2230a_100015188467_100011216630 [0,2,0,1,0,0|1,0,0]=4 45983 B12R1.51 CCCC(C)CN[C@H]1CCOC1 270004a_100015188467_100000243154 [0,2,0,1,0,0|1,0,0]=4 45984 B12R1.51 CCCC(C)CN[C@H]1CCOC1 34a_100015188467_100011216630 [0,2,0,1,0,0|1,0,0]=4 45985 B12R1.51 CCCC(C)COC1CCCC1 34a_100000210269_100011216630 [0,2,0,1,0,0|0,0,0]=3 45986 B12R1.51 CCCC(C)COC1CCCC1 34a_100000688023_100000179811 [0,2,0,1,0,0|0,0,0]=3 45987 B12R1.51 CCCC(C)COC1CCCC1 7a_100000210269_100011216630 [0,2,0,1,0,0|0,0,0]=3 45988 B12R1.51 CCCC(C)COC1CCCC1 7a_100000688023_100000179811 [0,2,0,1,0,0|0,0,0]=3 45989 B12R1.51 CCCC(C)COC1CCCO1 34a_100000085407_100011216630 [0,2,0,1,0,0|0,0,0]=3 45990 B12R1.51 CCCC(C)COC1CCOC1 34a_100000688023_100000690089 [0,2,0,1,0,0|0,0,0]=3 45991 B12R1.51 CCCC(C)COC1CCOC1 7a_100000688023_100000731011 [0,2,0,1,0,0|0,0,0]=3 45992 B12R1.51 CCCC(C)COC1CCSC1 7a_100011232664_100011216630 [0,2,0,1,0,0|0,0,0]=3 45993 B12R1.51 CCCC(C)CO[C@H]1CCOC1 34a_100000717292_100011216630 [0,2,0,1,0,0|0,0,0]=3 45994 B12R1.51 CCCC(C)CSC1CCCC1 62a_100011216630_100000179811 [0,2,0,1,0,0|0,1,0]=4 45995 B12R1.51 CCCC(C)CSC1CCCC1 62a_100011217020_100011216630 [0,2,0,1,0,0|0,1,0]=4 45996 B12R1.51 CCCC(C)CSC1CCOC1 62a_100011216630_100000690089 [0,2,0,1,0,0|0,1,0]=4 45997 B12R1.51 CCCC(C)NCC1CCCC1 2230a_100000737975_100000766640 [0,2,0,1,0,0|1,0,0]=4 45998 B12R1.51 CCCC(C)NCC1CCCC1 2230a_100000741246_100000740388 [0,2,0,1,0,0|1,0,0]=4 45999 B12R1.51 CCCC(C)NCC1CCCC1 269862a_100000741246_100000746403 [0,2,0,1,0,0|1,0,0]=4 46000 B12R1.51 CCCC(C)NCC1CCCC1 270004a_100000737975_100000211909 [0,2,0,1,0,0|1,0,0]=4 46001 B12R1.51 CCCC(C)NCC1CCCC1 34a_100000737975_100000766640 [0,2,0,1,0,0|1,0,0]=4 46002 B12R1.51 CCCC(C)NCC1CCCO1 2230a_100000741246_100000203698 [0,2,0,1,0,0|1,0,0]=4 46003 B12R1.51 CCCC(C)NCC1CCOC1 2230a_100000737293_100000766640 [0,2,0,1,0,0|1,0,0]=4 46004 B12R1.51 CCCC(C)NCC1CCOC1 2230a_100000741246_100000702531 [0,2,0,1,0,0|1,0,0]=4 46005 B12R1.51 CCCC(C)NCC1CCOC1 270004a_100000737293_100000211909 [0,2,0,1,0,0|1,0,0]=4 46006 B12R1.51 CCCC(C)NCC1CCOC1 34a_100000737293_100000766640 [0,2,0,1,0,0|1,0,0]=4 46007 B12R1.51 CCCC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000766640 [0,2,0,1,0,0|1,0,0]=4 46008 B12R1.51 CCCC(C)NC[C@@H]1CCCO1 270004a_100020590478_100000211909 [0,2,0,1,0,0|1,0,0]=4 46009 B12R1.51 CCCC(C)NC[C@@H]1CCCO1 34a_100020590478_100000766640 [0,2,0,1,0,0|1,0,0]=4 46010 B12R1.51 CCCC(C)OCC1CC=CC1 34a_100000688395_100000766640 [0,2,0,1,0,0|0,0,1]=4 46011 B12R1.51 CCCC(C)OCC1CCCC1 34a_100000742336_100000766640 [0,2,0,1,0,0|0,0,0]=3 46012 B12R1.51 CCCC(C)OCC1CCCC1 34a_100000764384_100000740388 [0,2,0,1,0,0|0,0,0]=3 46013 B12R1.51 CCCC(C)OCC1CCCC1 7a_100000742336_100000766640 [0,2,0,1,0,0|0,0,0]=3 46014 B12R1.51 CCCC(C)OCC1CCCC1 7a_100000764384_100000740388 [0,2,0,1,0,0|0,0,0]=3 46015 B12R1.51 CCCC(C)OCC1CCCO1 34a_100000210270_100000766640 [0,2,0,1,0,0|0,0,0]=3 46016 B12R1.51 CCCC(C)OCC1CCCO1 7a_100000210270_100000766640 [0,2,0,1,0,0|0,0,0]=3 46017 B12R1.51 CCCC(C)OCC1CCCO1 7a_100000764384_100000203698 [0,2,0,1,0,0|0,0,0]=3 46018 B12R1.51 CCCC(C)OCC1CCNC1 34a_100000748654_100000766640 [0,2,0,1,0,0|0,0,0]=3 46019 B12R1.51 CCCC(C)OCC1CCOC1 34a_100000740260_100000766640 [0,2,0,1,0,0|0,0,0]=3 46020 B12R1.51 CCCC(C)OCC1CCOC1 34a_100000764384_100011261433 [0,2,0,1,0,0|0,0,0]=3 46021 B12R1.51 CCCC(C)OCC1CCOC1 7a_100000764384_100000702531 [0,2,0,1,0,0|0,0,0]=3 46022 B12R1.51 CCCC(C)OCC1COCO1 34a_100011216627_100000766640 [0,2,0,1,0,0|1,0,0]=4 46023 B12R1.51 CCCC(C)OCC1OCCO1 34a_100000087154_100000766640 [0,2,0,1,0,0|1,0,0]=4 46024 B12R1.51 CCCC(C)OCC1OCCO1 34a_100000764384_100000755774 [0,2,0,1,0,0|1,0,0]=4 46025 B12R1.51 CCCC(C)OCC1OCCO1 7a_100000764384_100000755774 [0,2,0,1,0,0|1,0,0]=4 46026 B12R1.51 CCCC(C)OC[C@H]1CCCN1 34a_100000745186_100000766640 [0,2,0,1,0,0|0,0,0]=3 46027 B12R1.51 CCCC(C)SCC1CCCC1 62a_100000740388_100000766640 [0,2,0,1,0,0|0,1,0]=4 46028 B12R1.51 CCCC(C)SCC1CCCC1 62a_100000766640_100000740388 [0,2,0,1,0,0|0,1,0]=4 46029 B12R1.51 CCCC(C)SCC1CCCO1 62a_100000203698_100000766640 [0,2,0,1,0,0|0,1,0]=4 46030 B12R1.51 CCCC(C)SCC1CCCO1 62a_100000766640_100000203698 [0,2,0,1,0,0|0,1,0]=4 46031 B12R1.51 CCCC(C)SCC1CCOC1 62a_100000702531_100000766640 [0,2,0,1,0,0|0,1,0]=4 46032 B12R1.51 CCCC(C)SCC1CCOC1 62a_100000766640_100000702531 [0,2,0,1,0,0|0,1,0]=4 46033 B12R1.51 CCCN(C)CCC1CCCC1 2230a_100000747261_100000760354 [0,2,0,1,0,0|1,0,0]=4 46034 B12R1.51 CCCN(C)CCC1CCCC1 269982a_100000747261_100000760354 [0,2,0,1,0,0|1,0,0]=4 46035 B12R1.51 CCCN(C)CCN1CCCC1 2230a_100000225677_100000210303 [0,2,0,1,0,0|1,0,0]=4 46036 B12R1.51 CCCN(C)CCN1CCCC1 2230a_200000226867_200000210301 [0,2,0,1,0,0|1,0,0]=4 46037 B12R1.51 CCCN(C)CCN1CCCC1 269982a_100000225677_100000210303 [0,2,0,1,0,0|1,0,0]=4 46038 B12R1.51 CCCN(C)CCN1CCCC1 269982a_100000747261_100000004467 [0,2,0,1,0,0|1,0,0]=4 46039 B12R1.51 CCCN(C)CCN1CCCC1 269982a_200000226867_200000210301 [0,2,0,1,0,0|1,0,0]=4 46040 B12R1.51 CCCN([13CH3])CCN1CCCC1 2230a_200000226867_200025704644 [0,2,0,1,0,0|1,0,0]=4 46041 B12R1.51 CCCN([13CH3])CCN1CCCC1 269982a_200000226867_200025704644 [0,2,0,1,0,0|1,0,0]=4 46042 B12R1.51 CCC[C@H](N)COC1CCCC1 34a_100000732646_100000179811 [0,2,0,1,0,0|0,0,0]=3 46043 B12R1.51 CCC[C@H](N)COC1CCOC1 34a_100000732646_100000690089 [0,2,0,1,0,0|0,0,0]=3 46044 B12R1.51 CCNC(=O)COC1CCCC1 11a_100015525214_100000741352 [0,2,0,1,0,0|0,0,1]=4 46045 B12R1.51 CCNC(=O)COC1CCCC1 240690a_100015525214_100000741352 [0,2,0,1,0,0|0,0,1]=4 46046 B12R1.51 CCNC(=O)COC1CCCC1 34a_100000210269_100000183381 [0,2,0,1,0,0|0,0,1]=4 46047 B12R1.51 CCNC(=O)COC1CCCC1 527a_100015525214_100000741352 [0,2,0,1,0,0|0,0,1]=4 46048 B12R1.51 CCNC(=O)COC1CCCC1 7a_100000210269_100000183381 [0,2,0,1,0,0|0,0,1]=4 46049 B12R1.51 CCOC(=O)COC1CCCC1 34a_100000210269_100000188475 [0,2,0,1,0,0|0,0,1]=4 46050 B12R1.51 CCOC(=O)COC1CCCC1 7a_100000210269_100000188475 [0,2,0,1,0,0|0,0,1]=4 46051 B12R1.51 COCC(C)OCC1CCCC1 34a_100000742336_100000765312 [0,2,0,1,0,0|1,0,0]=4 46052 B12R1.51 COCC(C)OCC1CCCC1 7a_100000742336_100000765312 [0,2,0,1,0,0|1,0,0]=4 46053 B12R1.51 COCC(C)OCC1CCCO1 34a_100000210270_100000765312 [0,2,0,1,0,0|1,0,0]=4 46054 B12R1.51 COCC(C)OCC1CCCO1 7a_100000210270_100000765312 [0,2,0,1,0,0|1,0,0]=4 46055 B12R1.51 COCC(C)OCC1CCNC1 34a_100000748654_100000765312 [0,2,0,1,0,0|1,0,0]=4 46056 B12R1.51 COCC(C)OCC1CCOC1 34a_100000740260_100000765312 [0,2,0,1,0,0|1,0,0]=4 46057 B12R1.51 COCC(C)OC[C@H]1CCCN1 34a_100000745186_100000765312 [0,2,0,1,0,0|1,0,0]=4 46058 B12R1.51 COCC(N)COC1CCCC1 34a_100000724102_100000179811 [0,2,0,1,0,0|0,0,0]=3 46059 B12R1.51 COCC(N)COC1CCOC1 34a_100000724102_100000690089 [0,2,0,1,0,0|1,0,0]=4 46060 B12R1.51 COCC(O)CNC1CCCC1 2230a_100000756049_100000179811 [0,2,0,1,0,0|1,0,0]=4 46061 B12R1.51 COCC(O)CNC1CCCC1 270004a_100000756049_100000210133 [0,2,0,1,0,0|1,0,0]=4 46062 B12R1.51 COCC(O)CNC1CCCC1 34a_100000211070_100011215053 [0,2,0,1,0,0|1,0,0]=4 46063 B12R1.51 COCC(O)CNC1CCCC1 34a_100000756049_100000179811 [0,2,0,1,0,0|1,0,0]=4 46064 B12R1.51 COCC(O)COC1CCCC1 34a_100000210269_100011215053 [0,2,0,1,0,0|0,0,0]=3 46065 B12R1.51 COCC(O)COC1CCCC1 7a_100000210269_100011215053 [0,2,0,1,0,0|0,0,0]=3 46066 B12R1.51 COCC(O)COC1CCCO1 34a_100000085407_100011215053 [0,2,0,1,0,0|1,0,0]=4 46067 B12R1.51 COCC(O)COC1CCSC1 7a_100011232664_100011215053 [0,2,0,1,0,0|1,0,0]=4 46068 B12R1.51 COCC(O)CO[C@H]1CCOC1 34a_100000717292_100011215053 [0,2,0,1,0,0|1,0,0]=4 46069 B12R1.51 COCC(O)CSC1CCCC1 62a_100011215053_100000179811 [0,2,0,1,0,0|0,1,0]=4 46070 B12R1.51 COCC(O)CSC1CCCC1 62a_100011217020_100011215053 [0,2,0,1,0,0|0,1,0]=4 46071 B12R1.51 COC[C@@H](C)OCC1CCCC1 34a_100011934205_100000740388 [0,2,0,1,0,0|1,0,0]=4 46072 B12R1.51 COC[C@@H](C)OCC1CCOC1 34a_100011934205_100011261433 [0,2,0,1,0,0|1,0,0]=4 46073 B12R1.51 N#CC[C@H](O)COC1CCCC1 7a_100000210269_100000001066 [0,2,0,1,0,0|0,0,1]=4 46074 B12R1.51 O=C(CCF)COC1CCCC1 1458a_100000741352_100011217306 [0,2,0,1,0,0|0,0,1]=4 46075 B12R1.51 O=C(CCO)COC1CCCC1 1458a_100000741352_100000211926 [0,2,0,1,0,0|0,0,1]=4 46076 B12R1.62 C#CCCCOCC1CC(C1)Cl 34a_100009874164_100000695029 [0,2,0,1,0,0|0,0,1]=4 46077 B12R1.62 C=C1CC(C1)CNCCCCC 2230a_100102567296_100000210326 [0,2,0,1,0,0|1,0,0]=4 46078 B12R1.62 C=C1CC(C1)CNCCCCC 34a_100102567296_100000718602 [0,2,0,1,0,0|1,0,0]=4 46079 B12R1.62 C=C1CC(C1)COCCCCC 34a_100011011225_100000718602 [0,2,0,1,0,0|0,0,0]=3 46080 B12R1.62 C=C1CC(C1)COCCCCF 34a_100011011225_100000729493 [0,2,0,1,0,0|0,0,1]=4 46081 B12R1.62 C=C1CC(C1)COCCCCO 34a_100011011225_100011216708 [0,2,0,1,0,0|0,0,1]=4 46082 B12R1.62 C=C1CC(C1)COCCCOC 34a_100011011225_100000740836 [0,2,0,1,0,0|0,0,1]=4 46083 B12R1.62 C=C1CC(C1)COCCOCC 34a_100011011225_100000210147 [0,2,0,1,0,0|0,0,1]=4 46084 B12R1.62 C=C1CC(C1)COCCSCC 34a_100011011225_100000757381 [0,2,0,1,0,0|0,0,1]=4 46085 B12R1.62 C=C1CC(C1)NCOCCCC 2230a_100132301982_100011995733 [0,2,0,1,0,0|0,0,1]=4 46086 B12R1.62 C=CCCCOCC1CC(C1)Cl 34a_100009874164_100000757094 [0,2,0,1,0,0|0,0,1]=4 46087 B12R1.62 CC/C=C\COCC1CC(C1)Cl 34a_100009874164_100103147603 [0,2,0,1,0,0|0,0,1]=4 46088 B12R1.62 CCC#CCOCC1CC(C1)Cl 34a_100009874164_100009813939 [0,2,0,1,0,0|0,0,1]=4 46089 B12R1.62 CCCCCCCN1CC(C1)C 2230a_100000702820_100000210681 [0,2,0,1,0,0|1,0,0]=4 46090 B12R1.62 CCCCCCCN1CC(C1)C 269982a_100000702820_100000210681 [0,2,0,1,0,0|1,0,0]=4 46091 B12R1.62 CCCCCCCN1CC(C1)C 34a_100000702820_100000210614 [0,2,0,1,0,0|1,0,0]=4 46092 B12R1.62 CCCCCCCN1CC(C1)F 2230a_100000690557_100000210681 [0,2,0,1,0,0|1,0,0]=4 46093 B12R1.62 CCCCCCCN1CC(C1)F 269982a_100000690557_100000210681 [0,2,0,1,0,0|1,0,0]=4 46094 B12R1.62 CCCCCCCN1CC(C1)F 34a_100000690557_100000210614 [0,2,0,1,0,0|1,0,0]=4 46095 B12R1.62 CCCCCCCN1CC(C1)O 269982a_100000749847_100000210681 [0,2,0,1,0,0|1,0,0]=4 46096 B12R1.62 CCCCCCNC1CC(C1)F 2230a_100016993743_100000210314 [0,2,0,1,0,0|1,0,0]=4 46097 B12R1.62 CCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210314 [0,2,0,1,0,0|1,0,0]=4 46098 B12R1.62 CCCCCNCC1CC(=O)C1 2230a_100000209983_100009874392 [0,2,0,1,0,0|1,0,0]=4 46099 B12R1.62 CCCCCNCC1CC(C1)O 2230a_100016992100_100000210326 [0,2,0,1,0,0|1,0,0]=4 46100 B12R1.62 CCCCCOCC1CC(=O)C1 34a_100000101936_100000718602 [0,2,0,1,0,0|0,0,0]=3 46101 B12R1.62 CCCCCOCC1CC(=O)C1 7a_100000210253_100009874392 [0,2,0,1,0,0|0,0,0]=3 46102 B12R1.62 CCCCCOCC1CC(C1)Cl 34a_100009874164_100000718602 [0,2,0,1,0,0|0,0,0]=3 46103 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100000210326_100009874392 [0,2,0,1,0,0|0,1,0]=4 46104 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100009874392_100000210326 [0,2,0,1,0,0|0,1,0]=4 46105 B12R1.62 CCCCOCCN1CC(C1)C 2230a_100000702820_100000743108 [0,2,0,1,0,0|0,0,0]=3 46106 B12R1.62 CCCCOCCN1CC(C1)C 269982a_100000702820_100000743108 [0,2,0,1,0,0|0,0,0]=3 46107 B12R1.62 CCCCOCCN1CC(C1)C 34a_100000702820_100000743108 [0,2,0,1,0,0|0,0,0]=3 46108 B12R1.62 CCCCOCCN1CC(C1)F 2230a_100000690557_100000743108 [0,2,0,1,0,0|0,0,0]=3 46109 B12R1.62 CCCCOCCN1CC(C1)F 269982a_100000690557_100000743108 [0,2,0,1,0,0|0,0,0]=3 46110 B12R1.62 CCCCOCCN1CC(C1)F 34a_100000690557_100000743108 [0,2,0,1,0,0|0,0,0]=3 46111 B12R1.62 CCCCOCCN1CC(C1)O 269982a_100000749847_100000743108 [0,2,0,1,0,0|0,0,0]=3 46112 B12R1.62 CCCCOCNC1CC(C1)F 2230a_100016993743_100011995733 [0,2,0,1,0,0|0,0,0]=3 46113 B12R1.62 CCCCOCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011995733 [0,2,0,1,0,0|0,0,0]=3 46114 B12R1.62 CCCCOCSC1CC(=O)C1 62a_100009894365_100011995733 [0,2,0,1,0,0|0,0,1]=4 46115 B12R1.62 CCCOCCNC1CC(C1)F 2230a_100016993743_100011215938 [0,2,0,1,0,0|1,0,0]=4 46116 B12R1.62 CCCOCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011215938 [0,2,0,1,0,0|1,0,0]=4 46117 B12R1.62 CCOCCCNC1CC(C1)F 2230a_100016993743_100012232248 [0,2,0,1,0,0|1,0,0]=4 46118 B12R1.62 CCOCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100012232248 [0,2,0,1,0,0|1,0,0]=4 46119 B12R1.62 CCOCCNCC1CC(C1)O 2230a_100016992100_100011215890 [0,2,0,1,0,0|1,0,0]=4 46120 B12R1.62 CCOCCOCC1CC(=O)C1 34a_100000101936_100000210147 [0,2,0,1,0,0|0,0,1]=4 46121 B12R1.62 CCOCCOCC1CC(=O)C1 7a_100000210136_100009874392 [0,2,0,1,0,0|0,0,1]=4 46122 B12R1.62 CCOCCOCC1CC(C1)Cl 34a_100009874164_100000210147 [0,2,0,1,0,0|0,0,0]=3 46123 B12R1.62 CCSCCNCC1CC(C1)O 2230a_100016992100_100000757381 [0,2,0,1,0,0|1,0,0]=4 46124 B12R1.62 CCSCCOCC1CC(=O)C1 34a_100000101936_100000757381 [0,2,0,1,0,0|0,0,1]=4 46125 B12R1.62 CCSCCOCC1CC(=O)C1 7a_100000212035_100009874392 [0,2,0,1,0,0|0,0,1]=4 46126 B12R1.62 CCSCCOCC1CC(C1)Cl 34a_100009874164_100000757381 [0,2,0,1,0,0|0,0,0]=3 46127 B12R1.62 COCCCCNC1CC(C1)F 2230a_100016993743_100000730899 [0,2,0,1,0,0|1,0,0]=4 46128 B12R1.62 COCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000730899 [0,2,0,1,0,0|1,0,0]=4 46129 B12R1.62 COCCCNCC1CC(C1)O 2230a_100016992100_100000740836 [0,2,0,1,0,0|1,0,0]=4 46130 B12R1.62 COCCCOCC1CC(=O)C1 34a_100000101936_100000740836 [0,2,0,1,0,0|0,0,1]=4 46131 B12R1.62 COCCCOCC1CC(C1)Cl 34a_100009874164_100000740836 [0,2,0,1,0,0|0,0,0]=3 46132 B12R1.62 COCCOCCN1CC(C1)C 2230a_100000702820_100000695917 [0,2,0,1,0,0|1,0,0]=4 46133 B12R1.62 COCCOCCN1CC(C1)C 269982a_100000702820_100000695917 [0,2,0,1,0,0|1,0,0]=4 46134 B12R1.62 COCCOCCN1CC(C1)C 34a_100000702820_100000695917 [0,2,0,1,0,0|1,0,0]=4 46135 B12R1.62 COCCOCCN1CC(C1)F 2230a_100000690557_100000695917 [0,2,0,1,0,0|1,0,0]=4 46136 B12R1.62 COCCOCCN1CC(C1)F 269982a_100000690557_100000695917 [0,2,0,1,0,0|1,0,0]=4 46137 B12R1.62 COCCOCCN1CC(C1)F 34a_100000690557_100000695917 [0,2,0,1,0,0|1,0,0]=4 46138 B12R1.62 COCCOCCN1CC(C1)O 269982a_100000749847_100000695917 [0,2,0,1,0,0|1,0,0]=4 46139 B12R1.62 COCCOCNC1CC(C1)F 2230a_100016993743_100000231047 [0,2,0,1,0,0|1,0,0]=4 46140 B12R1.62 COCCOCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000231047 [0,2,0,1,0,0|1,0,0]=4 46141 B12R1.62 CSCCCOCC1CC(=O)C1 7a_100000690336_100009874392 [0,2,0,1,0,0|0,0,1]=4 46142 B12R1.62 FCCCCCNC1CC(C1)F 2230a_100016993743_100000729378 [0,2,0,1,0,0|1,0,0]=4 46143 B12R1.62 FCCCCOCC1CC(C1)Cl 34a_100009874164_100000729493 [0,2,0,1,0,0|0,0,0]=3 46144 B12R1.62 O=C1CC(C1)COCCCCCl 7a_100000210776_100009874392 [0,2,0,1,0,0|0,0,1]=4 46145 B12R1.62 O=C1CC(C1)COCCCCF 34a_100000101936_100000729493 [0,2,0,1,0,0|0,0,1]=4 46146 B12R1.62 O=C1CC(C1)COCCCCF 7a_100011995726_100009874392 [0,2,0,1,0,0|0,0,1]=4 46147 B12R1.62 O=C1CC(C1)COCCCCO 34a_100000101936_100011216708 [0,2,0,1,0,0|0,0,1]=4 46148 B12R1.62 OC1CC(C1)CNCCCCF 2230a_100016992100_100000729493 [0,2,0,1,0,0|1,0,0]=4 46149 B12R1.62 OCCCCCNC1CC(C1)F 2230a_100016993743_100000746330 [0,2,0,1,0,0|1,0,0]=4 46150 B12R1.62 OCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000746330 [0,2,0,1,0,0|1,0,0]=4 46151 B12R1.62 OCCCCNCC1CC(C1)O 2230a_100016992100_100000210776 [0,2,0,1,0,0|1,0,0]=4 46152 B12R1.62 OCCCCOCC1CC(C1)Cl 34a_100009874164_100011216708 [0,2,0,1,0,0|0,0,0]=3 46153 B12R1.62 O[C@H]1C[C@@H](C1)NCCCCCF 2230a_100020629032_100000729378 [0,2,0,1,0,0|1,0,0]=4 46154 B12R1.69 CCCCN1CCN(C[C@@H]1C)C 2230a_100012002466_100000210211 [0,2,0,1,0,0|1,0,0]=4 46155 B12R1.69 CCCCN1CCN(C[C@@H]1C)C 269982a_100012002466_100000210211 [0,2,0,1,0,0|1,0,0]=4 46156 B12R1.69 CCCOC1CCC(CC1C)C 34a_100011539931_100000210303 [0,2,0,1,0,0|1,0,0]=4 46157 B12R1.69 CCCOC1CCC(CC1C)C 7a_100011539931_100000210303 [0,2,0,1,0,0|1,0,0]=4 46158 B12R1.173 CCCN1CCCCCCCC1 2230a_100000039187_100000210303 [0,2,0,1,0,0|1,0,0]=4 46159 B12R1.173 CCCN1CCCCCCCC1 269982a_100000039187_100000210303 [0,2,0,1,0,0|1,0,0]=4 46160 B12R1.173 CCCN1CCCCCCCC1 34a_100000039187_100000210303 [0,2,0,1,0,0|1,0,0]=4 46161 B12R1.173 CCNC1CCCCCCCC1 270004a_100015525214_100000038600 [0,2,0,1,0,0|1,0,0]=4 46162 B12R1.173 COCN1CCCCCCCC1 2230a_100000039187_100000766300 [0,2,0,1,0,0|1,0,0]=4 46163 B12R1.173 COCN1CCCCCCCC1 269982a_100000039187_100000766300 [0,2,0,1,0,0|1,0,0]=4 46164 B12R1.173 CSCN1CCCCCCCC1 2230a_100000039187_100011218213 [0,2,0,1,0,0|1,0,0]=4 46165 B12R1.173 CSCN1CCCCCCCC1 269982a_100000039187_100011218213 [0,2,0,1,0,0|1,0,0]=4 46166 B12R1.173 CSCN1CCCCCCCC1 34a_100000039187_100011218213 [0,2,0,1,0,0|1,0,0]=4 46167 B12R1.173 FCCN1CCCCCCCC1 2230a_100000039187_100011217306 [0,2,0,1,0,0|1,0,0]=4 46168 B12R1.173 FCCN1CCCCCCCC1 269982a_100000039187_100011217306 [0,2,0,1,0,0|1,0,0]=4 46169 B12R1.173 FCCN1CCCCCCCC1 34a_100000039187_100011217306 [0,2,0,1,0,0|1,0,0]=4 46170 B12R1.173 OCCN1CCCCCCCC1 2230a_100000039187_100000211926 [0,2,0,1,0,0|1,0,0]=4 46171 B12R1.173 OCCN1CCCCCCCC1 269982a_100000039187_100000211926 [0,2,0,1,0,0|1,0,0]=4 46172 B12R1.173 OCCN1CCCCCCCC1 34a_100000039187_100000211926 [0,2,0,1,0,0|1,0,0]=4 46173 B12R1.278 CCCC1CC(CCN1)NCC 270004a_100015525214_100016991347 [0,2,0,1,0,0|1,0,0]=4 46174 B12R1.278 CCCN1CCOC(C1)COC 2230a_100000760289_100000210303 [0,2,0,1,0,0|1,0,0]=4 46175 B12R1.278 CCCN1CCOC(C1)COC 269982a_100000760289_100000210303 [0,2,0,1,0,0|1,0,0]=4 46176 B12R1.278 CCCN1CCOC(C1)COC 34a_100000760289_100000210303 [0,2,0,1,0,0|1,0,0]=4 46177 B12R1.308 CCCC(=O)C1CCCCC1C 1458a_100011215568_100000210303 [0,2,0,1,0,0|1,0,0]=4 46178 B12R1.308 CCCC(C)N1CCCCC1C 2230a_100000211376_100000766640 [0,2,0,1,0,0|1,0,0]=4 46179 B12R1.308 CCCC(C)N1CCCCC1C 269982a_100000211376_100000766640 [0,2,0,1,0,0|1,0,0]=4 46180 B12R1.308 CCCC(C)N1CCCCC1C 270004a_100000211376_100000211909 [0,2,0,1,0,0|1,0,0]=4 46181 B12R1.308 CCCC(C)N1CCCCC1C 34a_100000211376_100000766640 [0,2,0,1,0,0|1,0,0]=4 46182 B12R1.308 CCCC(C)N1CCOC[C@@H]1C 2230a_100009815349_100000766640 [0,2,0,1,0,0|1,0,0]=4 46183 B12R1.308 CCCC(C)N1CCOC[C@@H]1C 269982a_100009815349_100000766640 [0,2,0,1,0,0|1,0,0]=4 46184 B12R1.308 CCCC(C)N1CCOC[C@@H]1C 270004a_100009815349_100000211909 [0,2,0,1,0,0|1,0,0]=4 46185 B12R1.308 CCCC(C)N1CCOC[C@@H]1C 34a_100009815349_100000766640 [0,2,0,1,0,0|1,0,0]=4 46186 B12R1.308 CCCN(C)C1CCCCC1C 270004a_100000747261_100000210921 [0,2,0,1,0,0|1,0,0]=4 46187 B12R1.310 C=CCC(C)COCCC1CC1 34a_100009832082_100000694398 [0,2,0,1,0,0|0,0,1]=4 46188 B12R1.310 C=CCC(C)COCCC1CC1 7a_100009832082_100000764125 [0,2,0,1,0,0|0,0,1]=4 46189 B12R1.310 C=CC[C@@H](N)COCCC1CC1 34a_100020615467_100000694398 [0,2,0,1,0,0|0,0,1]=4 46190 B12R1.310 CC(CCBr)OCCCC1CO1 34a_100012276601_100000733510 [0,2,0,1,0,0|1,0,0]=4 46191 B12R1.310 CC(CCN)COCCC1CC1 34a_106354213184_100000694398 [0,2,0,1,0,0|0,0,0]=3 46192 B12R1.310 CC(CCN)COCCC1CO1 34a_106354213184_100000732470 [0,2,0,1,0,0|1,0,0]=4 46193 B12R1.310 CC(CCO)OCCNC1CC1 34a_100000738766_100009893172 [0,2,0,1,0,0|1,0,0]=4 46194 B12R1.310 CCCC(=O)COCCC1CC1 7a_100000754188_100000747444 [0,2,0,1,0,0|0,0,0]=3 46195 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000747444_100000764125 [0,2,0,1,0,0|0,1,0]=4 46196 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000764125_100000747444 [0,2,0,1,0,0|0,1,0]=4 46197 B12R1.310 CCCC(=O)OCNCC1CC1 2230a_100000735609_100000034017 [0,2,0,1,0,0|0,0,1]=4 46198 B12R1.310 CCCC(=O)OCNCC1CC1 34a_100000735609_100000034017 [0,2,0,1,0,0|0,0,1]=4 46199 B12R1.310 CCCC(=O)OCOCC1CC1 34a_100000211283_100000034017 [0,2,0,1,0,0|0,0,1]=4 46200 B12R1.310 CCCC(=O)OCSCC1CC1 62a_100000756562_100000034017 [0,2,0,1,0,0|0,0,1]=4 46201 B12R1.310 CCCC(C)CCCOC1CC1 34a_100011713154_100000211595 [0,2,0,1,0,0|1,0,0]=4 46202 B12R1.310 CCCC(C)CCOCC1CC1 34a_100011217855_100000742324 [0,2,0,1,0,0|0,0,0]=3 46203 B12R1.310 CCCC(C)CCOCC1CC1 7a_100011217855_100000742324 [0,2,0,1,0,0|0,0,0]=3 46204 B12R1.310 CCCC(C)CCOCC1CO1 34a_100011217855_102125554688 [0,2,0,1,0,0|1,0,0]=4 46205 B12R1.310 CCCC(C)CCOCC1CO1 7a_100011217855_102125554688 [0,2,0,1,0,0|1,0,0]=4 46206 B12R1.310 CCCC(C)CCOCC1CS1 7a_100011217855_100000031435 [0,2,0,1,0,0|1,0,0]=4 46207 B12R1.310 CCCC(C)CCOC[C@@H]1CO1 7a_100011217855_100000745022 [0,2,0,1,0,0|1,0,0]=4 46208 B12R1.310 CCCC(C)CNCCC1CC1 270004a_100000764129_100000243154 [0,2,0,1,0,0|1,0,0]=4 46209 B12R1.310 CCCC(C)CNCCC1CC1 34a_100000764129_100011216630 [0,2,0,1,0,0|1,0,0]=4 46210 B12R1.310 CCCC(C)COCCC1CC1 34a_100000688023_100000694398 [0,2,0,1,0,0|0,0,0]=3 46211 B12R1.310 CCCC(C)COCCC1CC1 34a_100000754188_100011216630 [0,2,0,1,0,0|0,0,0]=3 46212 B12R1.310 CCCC(C)COCCC1CC1 7a_100000688023_100000764125 [0,2,0,1,0,0|0,0,0]=3 46213 B12R1.310 CCCC(C)COCCC1CC1 7a_100000754188_100011216630 [0,2,0,1,0,0|0,0,0]=3 46214 B12R1.310 CCCC(C)COCCC1CO1 34a_100000688023_100000732470 [0,2,0,1,0,0|0,0,0]=3 46215 B12R1.310 CCCC(C)COCCC1CO1 7a_100000688023_100000732470 [0,2,0,1,0,0|0,0,0]=3 46216 B12R1.310 CCCC(C)COCC[C@@H]1CO1 34a_100009820653_100011216630 [0,2,0,1,0,0|0,0,0]=3 46217 B12R1.310 CCCC(C)CSCCC1CC1 62a_100000764125_100011216630 [0,2,0,1,0,0|0,1,0]=4 46218 B12R1.310 CCCC(C)CSCCC1CC1 62a_100011216630_100000764125 [0,2,0,1,0,0|0,1,0]=4 46219 B12R1.310 CCCC(C)CSCCC1CO1 62a_100000732470_100011216630 [0,2,0,1,0,0|0,1,0]=4 46220 B12R1.310 CCCC(C)CSCCC1CO1 62a_100011216630_100000732470 [0,2,0,1,0,0|0,1,0]=4 46221 B12R1.310 CCCC(C)NCCCC1CO1 2230a_100000741246_100000733510 [0,2,0,1,0,0|1,0,0]=4 46222 B12R1.310 CCCC(C)OCC#CC1CC1 34a_100000083941_100000766640 [0,2,0,1,0,0|0,0,1]=4 46223 B12R1.310 CCCC(C)OCC#CC1CC1 34a_100000764384_100009895102 [0,2,0,1,0,0|0,0,1]=4 46224 B12R1.310 CCCC(C)OCC#CC1CC1 7a_100000083941_100000766640 [0,2,0,1,0,0|0,0,1]=4 46225 B12R1.310 CCCC(C)OCC#CC1CC1 7a_100000764384_100009895102 [0,2,0,1,0,0|0,0,1]=4 46226 B12R1.310 CCCC(C)OCCCC1CO1 34a_100000764384_100000733510 [0,2,0,1,0,0|0,0,0]=3 46227 B12R1.310 CCCC(C)OCCCC1CO1 7a_100000764384_100000733510 [0,2,0,1,0,0|0,0,0]=3 46228 B12R1.310 CCCC(C)OCCNC1CC1 34a_100000738766_100000766640 [0,2,0,1,0,0|0,0,0]=3 46229 B12R1.310 CCCC(C)SCCCC1CO1 62a_100000733510_100000766640 [0,2,0,1,0,0|0,1,0]=4 46230 B12R1.310 CCCC(C)SCCCC1CO1 62a_100000766640_100000733510 [0,2,0,1,0,0|0,1,0]=4 46231 B12R1.310 CCC[C@H](N)CCOCC1CC1 34a_100015193777_100000742324 [0,2,0,1,0,0|0,0,0]=3 46232 B12R1.310 CCC[C@H](N)CCOCC1CO1 34a_100015193777_102125554688 [0,2,0,1,0,0|1,0,0]=4 46233 B12R1.310 CCC[C@H](N)COCCC1CC1 34a_100000732646_100000694398 [0,2,0,1,0,0|0,0,0]=3 46234 B12R1.310 CCC[C@H](N)COCCC1CO1 34a_100000732646_100000732470 [0,2,0,1,0,0|0,0,0]=3 46235 B12R1.310 CCNC(=O)COCCC1CC1 34a_100000754188_100000183381 [0,2,0,1,0,0|0,0,1]=4 46236 B12R1.310 CCNC(=O)COCCC1CC1 7a_100000754188_100000183381 [0,2,0,1,0,0|0,0,1]=4 46237 B12R1.310 CCOC(=O)CCOCC1CC1 34a_100000211283_100000765890 [0,2,0,1,0,0|0,0,1]=4 46238 B12R1.310 CCOC(=O)COCCC1CC1 34a_100000754188_100000188475 [0,2,0,1,0,0|0,0,1]=4 46239 B12R1.310 CCOC(=O)COCCC1CC1 7a_100000754188_100000188475 [0,2,0,1,0,0|0,0,1]=4 46240 B12R1.310 COCC(C)OCCNC1CC1 34a_100000738766_100000765312 [0,2,0,1,0,0|1,0,0]=4 46241 B12R1.310 COCC(N)COCCC1CC1 34a_100000724102_100000694398 [0,2,0,1,0,0|0,0,0]=3 46242 B12R1.310 COCC(N)COCCC1CO1 34a_100000724102_100000732470 [0,2,0,1,0,0|1,0,0]=4 46243 B12R1.310 COCC(O)CNCCC1CC1 2230a_100000756049_100000694398 [0,2,0,1,0,0|1,0,0]=4 46244 B12R1.310 COCC(O)CNCCC1CC1 34a_100000756049_100000694398 [0,2,0,1,0,0|1,0,0]=4 46245 B12R1.310 COCC(O)CNCCC1CC1 34a_100000764129_100011215053 [0,2,0,1,0,0|1,0,0]=4 46246 B12R1.310 COCC(O)COCCC1CC1 34a_100000754188_100011215053 [0,2,0,1,0,0|0,0,0]=3 46247 B12R1.310 COCC(O)COCCC1CC1 7a_100000754188_100011215053 [0,2,0,1,0,0|0,0,0]=3 46248 B12R1.310 COCC(O)COCC[C@@H]1CO1 34a_100009820653_100011215053 [0,2,0,1,0,0|1,0,0]=4 46249 B12R1.310 COCC(O)CSCCC1CC1 62a_100000764125_100011215053 [0,2,0,1,0,0|0,1,0]=4 46250 B12R1.310 COCC(O)CSCCC1CC1 62a_100011215053_100000764125 [0,2,0,1,0,0|0,1,0]=4 46251 B12R1.310 COC[C@@H](C)OCCCC1CO1 34a_100011934205_100000733510 [0,2,0,1,0,0|1,0,0]=4 46252 B12R1.310 N#CC[C@H](O)COCCC1CC1 7a_100000754188_100000001066 [0,2,0,1,0,0|0,0,1]=4 46253 B12R1.311 CCCC(=O)OCN1CCC1C 269982a_100000755817_100000034017 [0,2,0,1,0,0|0,0,1]=4 46254 B12R1.311 CCCC(=O)OCN1CCC1C 34a_100000755817_100000034017 [0,2,0,1,0,0|0,0,1]=4 46255 B12R1.311 CCCC(C)COC1CCC1=O 34a_100000688023_100009892977 [0,2,0,1,0,0|0,0,1]=4 46256 B12R1.311 CCCC(C)COC1CCC1=O 7a_100000688023_100009892977 [0,2,0,1,0,0|0,0,1]=4 46257 B12R1.311 CCC[C@H](N)COC1CCC1=O 34a_100000732646_100009892977 [0,2,0,1,0,0|0,0,1]=4 46258 B12R1.315 C=CCC(C)COCC1CCC1 34a_100009832082_100000763275 [0,2,0,1,0,0|0,0,1]=4 46259 B12R1.315 C=CCC(C)COCC1CCC1 7a_100009832082_100000763275 [0,2,0,1,0,0|0,0,1]=4 46260 B12R1.315 C=CC[C@@H](N)COCC1CCC1 34a_100020615467_100000763275 [0,2,0,1,0,0|0,0,1]=4 46261 B12R1.315 CC(CCN)COCC1CCC1 34a_106354213184_100000763275 [0,2,0,1,0,0|0,0,0]=3 46262 B12R1.315 CC(CCN)COCC1CCO1 34a_106354213184_100000103362 [0,2,0,1,0,0|1,0,0]=4 46263 B12R1.315 CC(CCN)COCC1COC1 34a_106354213184_100010264016 [0,2,0,1,0,0|1,0,0]=4 46264 B12R1.315 CC(CCO)OCCC1COC1 34a_100009855314_100009893172 [0,2,0,1,0,0|1,0,0]=4 46265 B12R1.315 CCCC(=O)CNCC1CCC1 2230a_100000738700_100000747444 [0,2,0,1,0,0|1,0,0]=4 46266 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000747444_100000763275 [0,2,0,1,0,0|0,1,0]=4 46267 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000763275_100000747444 [0,2,0,1,0,0|0,1,0]=4 46268 B12R1.315 CCCC(=O)OCNC1CCC1 2230a_100000749019_100000034017 [0,2,0,1,0,0|0,0,1]=4 46269 B12R1.315 CCCC(=O)OCNC1CCC1 34a_100000749019_100000034017 [0,2,0,1,0,0|0,0,1]=4 46270 B12R1.315 CCCC(=O)OCOC1CCC1 34a_100000748187_100000034017 [0,2,0,1,0,0|0,0,1]=4 46271 B12R1.315 CCCC(C)CCOC1CCC1 34a_100011217855_100000749161 [0,2,0,1,0,0|0,0,0]=3 46272 B12R1.315 CCCC(C)CCOC1COC1 34a_100011217855_100009818527 [0,2,0,1,0,0|1,0,0]=4 46273 B12R1.315 CCCC(C)CCOC1COC1 7a_100011217855_100009818527 [0,2,0,1,0,0|1,0,0]=4 46274 B12R1.315 CCCC(C)CNCC1CCC1 2230a_100000738700_100011216630 [0,2,0,1,0,0|1,0,0]=4 46275 B12R1.315 CCCC(C)CNCC1CCC1 270004a_100000738700_100000243154 [0,2,0,1,0,0|1,0,0]=4 46276 B12R1.315 CCCC(C)CNCC1CCC1 34a_100000738700_100011216630 [0,2,0,1,0,0|1,0,0]=4 46277 B12R1.315 CCCC(C)CNCC1COC1 2230a_100015281925_100011216630 [0,2,0,1,0,0|1,0,0]=4 46278 B12R1.315 CCCC(C)CNCC1COC1 270004a_100015281925_100000243154 [0,2,0,1,0,0|1,0,0]=4 46279 B12R1.315 CCCC(C)CNCC1COC1 34a_100015281925_100011216630 [0,2,0,1,0,0|1,0,0]=4 46280 B12R1.315 CCCC(C)CNC[C@@H]1CCO1 2230a_100020831831_100011216630 [0,2,0,1,0,0|1,0,0]=4 46281 B12R1.315 CCCC(C)CNC[C@@H]1CCO1 270004a_100020831831_100000243154 [0,2,0,1,0,0|1,0,0]=4 46282 B12R1.315 CCCC(C)CNC[C@@H]1CCO1 34a_100020831831_100011216630 [0,2,0,1,0,0|1,0,0]=4 46283 B12R1.315 CCCC(C)COCC1CCC1 34a_100000688023_100000763275 [0,2,0,1,0,0|0,0,0]=3 46284 B12R1.315 CCCC(C)COCC1CCC1 34a_100000760304_100011216630 [0,2,0,1,0,0|0,0,0]=3 46285 B12R1.315 CCCC(C)COCC1CCC1 7a_100000688023_100000763275 [0,2,0,1,0,0|0,0,0]=3 46286 B12R1.315 CCCC(C)COCC1CCO1 34a_100000039022_100011216630 [0,2,0,1,0,0|0,0,0]=3 46287 B12R1.315 CCCC(C)COCC1CCO1 34a_100000688023_100000103362 [0,2,0,1,0,0|0,0,0]=3 46288 B12R1.315 CCCC(C)COCC1CCO1 7a_100000688023_100000103362 [0,2,0,1,0,0|0,0,0]=3 46289 B12R1.315 CCCC(C)COCC1CNC1 34a_100016987283_100011216630 [0,2,0,1,0,0|0,0,0]=3 46290 B12R1.315 CCCC(C)COCC1COC1 34a_100000060846_100011216630 [0,2,0,1,0,0|0,0,0]=3 46291 B12R1.315 CCCC(C)COCC1COC1 34a_100000688023_100010264016 [0,2,0,1,0,0|0,0,0]=3 46292 B12R1.315 CCCC(C)COCC1COC1 7a_100000688023_100010264016 [0,2,0,1,0,0|0,0,0]=3 46293 B12R1.315 CCCC(C)CSCC1CCC1 62a_100000763275_100011216630 [0,2,0,1,0,0|0,1,0]=4 46294 B12R1.315 CCCC(C)CSCC1CCC1 62a_100011216630_100000763275 [0,2,0,1,0,0|0,1,0]=4 46295 B12R1.315 CCCC(C)CSCC1CCO1 62a_100000103362_100011216630 [0,2,0,1,0,0|0,1,0]=4 46296 B12R1.315 CCCC(C)CSCC1CCO1 62a_100011216630_100000103362 [0,2,0,1,0,0|0,1,0]=4 46297 B12R1.315 CCCC(C)CSCC1COC1 62a_100010264016_100011216630 [0,2,0,1,0,0|0,1,0]=4 46298 B12R1.315 CCCC(C)CSCC1COC1 62a_100011216630_100010264016 [0,2,0,1,0,0|0,1,0]=4 46299 B12R1.315 CCCC(C)OCCC1COC1 34a_100009855314_100000766640 [0,2,0,1,0,0|0,0,0]=3 46300 B12R1.315 CCC[C@H](N)CCOC1CCC1 34a_100015193777_100000749161 [0,2,0,1,0,0|0,0,0]=3 46301 B12R1.315 CCC[C@H](N)CCOC1COC1 34a_100015193777_100009818527 [0,2,0,1,0,0|1,0,0]=4 46302 B12R1.315 CCC[C@H](N)COCC1CCC1 34a_100000732646_100000763275 [0,2,0,1,0,0|0,0,0]=3 46303 B12R1.315 CCC[C@H](N)COCC1CCO1 34a_100000732646_100000103362 [0,2,0,1,0,0|0,0,0]=3 46304 B12R1.315 CCC[C@H](N)COCC1COC1 34a_100000732646_100010264016 [0,2,0,1,0,0|0,0,0]=3 46305 B12R1.315 CCNC(=O)COCC1CCC1 34a_100000760304_100000183381 [0,2,0,1,0,0|0,0,1]=4 46306 B12R1.315 CCOC(=O)CCOC1CCC1 34a_100000748187_100000765890 [0,2,0,1,0,0|0,0,1]=4 46307 B12R1.315 CCOC(=O)COCC1CCC1 34a_100000760304_100000188475 [0,2,0,1,0,0|0,0,1]=4 46308 B12R1.315 COCC(C)OCCC1COC1 34a_100009855314_100000765312 [0,2,0,1,0,0|1,0,0]=4 46309 B12R1.315 COCC(N)COCC1CCC1 34a_100000724102_100000763275 [0,2,0,1,0,0|0,0,0]=3 46310 B12R1.315 COCC(N)COCC1CCO1 34a_100000724102_100000103362 [0,2,0,1,0,0|1,0,0]=4 46311 B12R1.315 COCC(N)COCC1COC1 34a_100000724102_100010264016 [0,2,0,1,0,0|1,0,0]=4 46312 B12R1.315 COCC(O)CNCC1CCC1 2230a_100000756049_100000763275 [0,2,0,1,0,0|1,0,0]=4 46313 B12R1.315 COCC(O)CNCC1CCC1 269862a_100000756049_100000753134 [0,2,0,1,0,0|1,0,0]=4 46314 B12R1.315 COCC(O)CNCC1CCC1 34a_100000738700_100011215053 [0,2,0,1,0,0|1,0,0]=4 46315 B12R1.315 COCC(O)CNCC1CCC1 34a_100000756049_100000763275 [0,2,0,1,0,0|1,0,0]=4 46316 B12R1.315 COCC(O)COCC1CCC1 34a_100000760304_100011215053 [0,2,0,1,0,0|0,0,0]=3 46317 B12R1.315 COCC(O)COCC1CCO1 34a_100000039022_100011215053 [0,2,0,1,0,0|1,0,0]=4 46318 B12R1.315 COCC(O)COCC1CNC1 34a_100016987283_100011215053 [0,2,0,1,0,0|1,0,0]=4 46319 B12R1.315 COCC(O)COCC1COC1 34a_100000060846_100011215053 [0,2,0,1,0,0|1,0,0]=4 46320 B12R1.315 COCC(O)CSCC1CCC1 62a_100000763275_100011215053 [0,2,0,1,0,0|0,1,0]=4 46321 B12R1.315 COCC(O)CSCC1CCC1 62a_100011215053_100000763275 [0,2,0,1,0,0|0,1,0]=4 46322 B12R1.316 CCCC(C)N1CCCC1CC 2230a_100000754278_100000766640 [0,2,0,1,0,0|1,0,0]=4 46323 B12R1.316 CCCC(C)N1CCCC1CC 269982a_100000754278_100000766640 [0,2,0,1,0,0|1,0,0]=4 46324 B12R1.316 CCCC(C)N1CCCC1CC 270004a_100000754278_100000211909 [0,2,0,1,0,0|1,0,0]=4 46325 B12R1.316 CCCC(C)N1CCCC1CC 34a_100000754278_100000766640 [0,2,0,1,0,0|1,0,0]=4 46326 B12R1.316 CCCC(C)N1CCC[C@@H]1CO 2230a_100000745186_100000766640 [0,2,0,1,0,0|1,0,0]=4 46327 B12R1.316 CCCC(C)N1CCC[C@@H]1CO 269982a_100000745186_100000766640 [0,2,0,1,0,0|1,0,0]=4 46328 B12R1.316 CCCC(C)N1CCC[C@@H]1CO 270004a_100000745186_100000211909 [0,2,0,1,0,0|1,0,0]=4 46329 B12R1.316 CCCC(C)N1CCC[C@@H]1CO 34a_100000745186_100000766640 [0,2,0,1,0,0|1,0,0]=4 46330 B12R1.316 CCCN(C)C1CCCC1CC 270004a_100000747261_100000749056 [0,2,0,1,0,0|1,0,0]=4 46331 B12R1.318 CC(CCO)OC1CCCC1C 34a_100011216460_100009893172 [0,2,0,1,0,0|1,0,0]=4 46332 B12R1.318 CC(CCO)OC1CCCC1C 7a_100011216460_100009893172 [0,2,0,1,0,0|1,0,0]=4 46333 B12R1.318 CC(CCO)O[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009893172 [0,2,0,1,0,0|1,0,0]=4 46334 B12R1.318 CC(CCO)O[C@H]1CCC[C@@H]1N 34a_100000748460_100009893172 [0,2,0,1,0,0|1,0,0]=4 46335 B12R1.318 CC(CCO)O[C@H]1CNC[C@H]1C 34a_200015306588_100009893172 [0,2,0,1,0,0|1,0,0]=4 46336 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747444 [0,2,0,1,0,0|1,0,0]=4 46337 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747444 [0,2,0,1,0,0|1,0,0]=4 46338 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747444 [0,2,0,1,0,0|1,0,0]=4 46339 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747444 [0,2,0,1,0,0|1,0,0]=4 46340 B12R1.318 CCCC(C)CN1CCC[C@@H]1C 2230a_100020605311_100011216630 [0,2,0,1,0,0|1,0,0]=4 46341 B12R1.318 CCCC(C)CN1CCC[C@@H]1C 269982a_100020605311_100011216630 [0,2,0,1,0,0|1,0,0]=4 46342 B12R1.318 CCCC(C)CN1CCC[C@@H]1C 270004a_100020605311_100000243154 [0,2,0,1,0,0|1,0,0]=4 46343 B12R1.318 CCCC(C)CN1CCC[C@H]1C 2230a_100015189458_100011216630 [0,2,0,1,0,0|1,0,0]=4 46344 B12R1.318 CCCC(C)CN1CCC[C@H]1C 269982a_100015189458_100011216630 [0,2,0,1,0,0|1,0,0]=4 46345 B12R1.318 CCCC(C)CN1CCC[C@H]1C 270004a_100015189458_100000243154 [0,2,0,1,0,0|1,0,0]=4 46346 B12R1.318 CCCC(C)CN1CCC[C@H]1C 34a_100015189458_100011216630 [0,2,0,1,0,0|1,0,0]=4 46347 B12R1.318 CCCC(C)CN1CCSC1C 2230a_200011216479_100011216630 [0,2,0,1,0,0|1,0,0]=4 46348 B12R1.318 CCCC(C)CN1CCSC1C 269982a_200011216479_100011216630 [0,2,0,1,0,0|1,0,0]=4 46349 B12R1.318 CCCC(C)CN1CCSC1C 270004a_200011216479_100000243154 [0,2,0,1,0,0|1,0,0]=4 46350 B12R1.318 CCCC(C)CN1CCSC1C 34a_200011216479_100011216630 [0,2,0,1,0,0|1,0,0]=4 46351 B12R1.318 CCCC(C)NC1CCCC1C 269862a_100000741246_100000752053 [0,2,0,1,0,0|1,0,0]=4 46352 B12R1.318 CCCC(C)NC1CCOC1C 270004a_100000741246_100000691750 [0,2,0,1,0,0|1,0,0]=4 46353 B12R1.318 CCCC(C)N[C@H]1CCC[C@@H]1O 270004a_100000748460_100000211909 [0,2,0,1,0,0|1,0,0]=4 46354 B12R1.318 CCCC(C)OC1CCCC1=O 34a_100000764384_100000709159 [0,2,0,1,0,0|0,0,1]=4 46355 B12R1.318 CCCC(C)OC1CCCC1=O 34a_200000719330_100000766640 [0,2,0,1,0,0|0,0,1]=4 46356 B12R1.318 CCCC(C)OC1CCCC1=O 7a_100000764384_100000211823 [0,2,0,1,0,0|0,0,1]=4 46357 B12R1.318 CCCC(C)OC1CCCC1C 34a_100011216460_100000766640 [0,2,0,1,0,0|0,0,0]=3 46358 B12R1.318 CCCC(C)OC1CCCC1C 7a_100011216460_100000766640 [0,2,0,1,0,0|0,0,0]=3 46359 B12R1.318 CCCC(C)OC1COCC1O 34a_100000764384_200000725654 [0,2,0,1,0,0|1,0,0]=4 46360 B12R1.318 CCCC(C)OC1COCC1O 7a_100000764384_200000725654 [0,2,0,1,0,0|1,0,0]=4 46361 B12R1.318 CCCC(C)O[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000766640 [0,2,0,1,0,0|0,0,0]=3 46362 B12R1.318 CCCC(C)O[C@H]1CCC[C@@H]1N 34a_100000748460_100000766640 [0,2,0,1,0,0|0,0,0]=3 46363 B12R1.318 CCCC(C)O[C@H]1CNC[C@H]1C 34a_200015306588_100000766640 [0,2,0,1,0,0|0,0,0]=3 46364 B12R1.318 CCCC(C)O[C@H]1COC[C@@H]1N 34a_100015191717_100000766640 [0,2,0,1,0,0|1,0,0]=4 46365 B12R1.318 CCCC(C)S[C@@H]1CCC[C@H]1O 62a_100000766640_200016002552 [0,2,0,1,0,0|0,1,0]=4 46366 B12R1.318 CCCC(C)S[C@@H]1CCC[C@H]1O 62a_200016002552_100000766640 [0,2,0,1,0,0|0,1,0]=4 46367 B12R1.318 COCC(C)OC1CCCC1C 34a_100011216460_100000765312 [0,2,0,1,0,0|1,0,0]=4 46368 B12R1.318 COCC(C)OC1CCCC1C 7a_100011216460_100000765312 [0,2,0,1,0,0|1,0,0]=4 46369 B12R1.318 COCC(C)O[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000765312 [0,2,0,1,0,0|1,0,0]=4 46370 B12R1.318 COCC(C)O[C@H]1CCC[C@@H]1N 34a_100000748460_100000765312 [0,2,0,1,0,0|1,0,0]=4 46371 B12R1.318 COCC(C)O[C@H]1CNC[C@H]1C 34a_200015306588_100000765312 [0,2,0,1,0,0|1,0,0]=4 46372 B12R1.318 COCC(O)CN1CCC[C@H]1C 34a_100015189458_100011215053 [0,2,0,1,0,0|1,0,0]=4 46373 B12R1.340 CCCCN1CCC(C1)CCO 2230a_100016987287_100000210211 [0,2,0,1,0,0|1,0,0]=4 46374 B12R1.340 CCCCN1CCC(C1)CCO 269982a_100016987287_100000210211 [0,2,0,1,0,0|1,0,0]=4 46375 B12R1.340 CCCCN1CCC(C1)CCO 34a_100016987287_100000210210 [0,2,0,1,0,0|1,0,0]=4 46376 B12R1.340 CCCCN1CCC(C1)COC 2230a_100025706693_100000210211 [0,2,0,1,0,0|1,0,0]=4 46377 B12R1.340 CCCCN1CCC(C1)COC 269982a_100025706693_100000210211 [0,2,0,1,0,0|1,0,0]=4 46378 B12R1.340 CCCCN1CCC(C1)COC 34a_100025706693_100000210210 [0,2,0,1,0,0|1,0,0]=4 46379 B12R1.340 CCCCN1CC[C@@H](C1)OCC 2230a_100011787710_100000210211 [0,2,0,1,0,0|1,0,0]=4 46380 B12R1.340 CCCCN1CC[C@@H](C1)OCC 269982a_100011787710_100000210211 [0,2,0,1,0,0|1,0,0]=4 46381 B12R1.340 CCCCN1CC[C@@H](C1)OCC 34a_100011787710_100000210210 [0,2,0,1,0,0|1,0,0]=4 46382 B12R1.340 CCCNC1CCC(C1)CCC 270004a_100020643023_200012087856 [0,2,0,1,0,0|1,0,0]=4 46383 B12R1.348 CCCCN1CCCC(CC1)C 2230a_100025706717_100000210211 [0,2,0,1,0,0|1,0,0]=4 46384 B12R1.348 CCCCN1CCCC(CC1)C 269982a_100025706717_100000210211 [0,2,0,1,0,0|1,0,0]=4 46385 B12R1.348 CCCCN1CCCC(CC1)C 34a_100025706717_100000210210 [0,2,0,1,0,0|1,0,0]=4 46386 B12R1.348 CCCCN1CCCC(CC1)O 2230a_100015186869_100000210211 [0,2,0,1,0,0|1,0,0]=4 46387 B12R1.348 CCCCN1CCCC(CC1)O 269982a_100015186869_100000210211 [0,2,0,1,0,0|1,0,0]=4 46388 B12R1.348 CCCCN1CCCN(CC1)C 2230a_100000211313_100000210211 [0,2,0,1,0,0|1,0,0]=4 46389 B12R1.348 CCCCN1CCCN(CC1)C 2230a_200011194251_200000210301 [0,2,0,1,0,0|1,0,0]=4 46390 B12R1.348 CCCCN1CCCN(CC1)C 269982a_100000211313_100000210211 [0,2,0,1,0,0|1,0,0]=4 46391 B12R1.348 CCCCN1CCCN(CC1)C 269982a_200011194251_200000210301 [0,2,0,1,0,0|1,0,0]=4 46392 B12R1.348 CCCCN1CCCN(CC1)[13CH3] 2230a_200011194251_200025704644 [0,2,0,1,0,0|1,0,0]=4 46393 B12R1.348 CCCCN1CCCN(CC1)[13CH3] 269982a_200011194251_200025704644 [0,2,0,1,0,0|1,0,0]=4 46394 B12R1.372 C#CCCCCN1CCC[C@@H]1C 2230a_100020605311_100010269958 [0,2,0,1,0,0|1,0,0]=4 46395 B12R1.372 C#CCCCCN1CCC[C@@H]1C 269982a_100020605311_100010269958 [0,2,0,1,0,0|1,0,0]=4 46396 B12R1.372 C#CCCCCN1CCC[C@H]1C 2230a_100015189458_100010269958 [0,2,0,1,0,0|1,0,0]=4 46397 B12R1.372 C#CCCCCN1CCC[C@H]1C 269982a_100015189458_100010269958 [0,2,0,1,0,0|1,0,0]=4 46398 B12R1.372 C#CCCCCN1CCC[C@H]1C 34a_100015189458_100010269958 [0,2,0,1,0,0|1,0,0]=4 46399 B12R1.372 C#CCCCOC1CCCC1C 34a_100011216460_100000695029 [0,2,0,1,0,0|0,0,1]=4 46400 B12R1.372 C#CCCCOC1CCCC1C 7a_100011216460_100011215417 [0,2,0,1,0,0|0,0,1]=4 46401 B12R1.372 C#CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000695029 [0,2,0,1,0,0|0,0,1]=4 46402 B12R1.372 C#CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000695029 [0,2,0,1,0,0|0,0,1]=4 46403 B12R1.372 C#CCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000695029 [0,2,0,1,0,0|0,0,1]=4 46404 B12R1.372 C=CCCCCN1CCC[C@@H]1C 2230a_100020605311_100011215482 [0,2,0,1,0,0|1,0,0]=4 46405 B12R1.372 C=CCCCCN1CCC[C@@H]1C 269982a_100020605311_100011215482 [0,2,0,1,0,0|1,0,0]=4 46406 B12R1.372 C=CCCCCN1CCC[C@H]1C 2230a_100015189458_100011215482 [0,2,0,1,0,0|1,0,0]=4 46407 B12R1.372 C=CCCCCN1CCC[C@H]1C 269982a_100015189458_100011215482 [0,2,0,1,0,0|1,0,0]=4 46408 B12R1.372 C=CCCCCN1CCC[C@H]1C 34a_100015189458_100011215482 [0,2,0,1,0,0|1,0,0]=4 46409 B12R1.372 C=CCCCOC1CCCC1C 34a_100011216460_100000757094 [0,2,0,1,0,0|0,0,1]=4 46410 B12R1.372 C=CCCCOC1CCCC1C 7a_100011216460_100000757094 [0,2,0,1,0,0|0,0,1]=4 46411 B12R1.372 C=CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000757094 [0,2,0,1,0,0|0,0,1]=4 46412 B12R1.372 C=CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000757094 [0,2,0,1,0,0|0,0,1]=4 46413 B12R1.372 C=CCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000757094 [0,2,0,1,0,0|0,0,1]=4 46414 B12R1.372 CC/C=C\CCN1CCC[C@@H]1C 2230a_100020605311_100015370543 [0,2,0,1,0,0|1,0,0]=4 46415 B12R1.372 CC/C=C\CCN1CCC[C@@H]1C 269982a_100020605311_100015370543 [0,2,0,1,0,0|1,0,0]=4 46416 B12R1.372 CC/C=C\CCN1CCC[C@H]1C 2230a_100015189458_100015370543 [0,2,0,1,0,0|1,0,0]=4 46417 B12R1.372 CC/C=C\CCN1CCC[C@H]1C 269982a_100015189458_100015370543 [0,2,0,1,0,0|1,0,0]=4 46418 B12R1.372 CC/C=C\CCN1CCC[C@H]1C 34a_100015189458_100015370543 [0,2,0,1,0,0|1,0,0]=4 46419 B12R1.372 CC/C=C\COC1CCCC1C 34a_100011216460_100103147603 [0,2,0,1,0,0|0,0,1]=4 46420 B12R1.372 CC/C=C\COC1CCCC1C 7a_100011216460_100103147603 [0,2,0,1,0,0|0,0,1]=4 46421 B12R1.372 CC/C=C\CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100103147603 [0,2,0,1,0,0|0,0,1]=4 46422 B12R1.372 CC/C=C\CO[C@H]1CCC[C@@H]1N 34a_100000748460_100103147603 [0,2,0,1,0,0|0,0,1]=4 46423 B12R1.372 CC/C=C\CO[C@H]1CNC[C@H]1C 34a_200015306588_100103147603 [0,2,0,1,0,0|0,0,1]=4 46424 B12R1.372 CC1CCCC1NCCCCO 269862a_100000750430_100000752053 [0,2,0,1,0,0|1,0,0]=4 46425 B12R1.372 CC1CCCC1OCCCC#N 7a_100011216460_100000687738 [0,2,0,1,0,0|0,0,1]=4 46426 B12R1.372 CC1CCCC1OCCCC=O 7a_100011216460_200011292268 [0,2,0,1,0,0|0,0,1]=4 46427 B12R1.372 CC1CCCC1OCCCCF 34a_100011216460_100000729493 [0,2,0,1,0,0|0,0,0]=3 46428 B12R1.372 CC1CCCC1OCCCCF 7a_100011216460_100000729493 [0,2,0,1,0,0|0,0,0]=3 46429 B12R1.372 CC1CCCC1OCCCCO 34a_100011216460_100011216708 [0,2,0,1,0,0|0,0,0]=3 46430 B12R1.372 CC1CCCC1OCCCCO 7a_100011216460_100000210776 [0,2,0,1,0,0|0,0,0]=3 46431 B12R1.372 CC1OCCC1NCCCCO 270004a_100000750430_100000691750 [0,2,0,1,0,0|1,0,0]=4 46432 B12R1.372 CC1SCCN1CCCCCF 2230a_200011216479_100000729378 [0,2,0,1,0,0|1,0,0]=4 46433 B12R1.372 CC1SCCN1CCCCCF 269982a_200011216479_100000729378 [0,2,0,1,0,0|1,0,0]=4 46434 B12R1.372 CC1SCCN1CCCCCF 34a_200011216479_100000729378 [0,2,0,1,0,0|1,0,0]=4 46435 B12R1.372 CC1SCCN1CCCCCO 2230a_200011216479_100000746330 [0,2,0,1,0,0|1,0,0]=4 46436 B12R1.372 CC1SCCN1CCCCCO 269982a_200011216479_100000746330 [0,2,0,1,0,0|1,0,0]=4 46437 B12R1.372 CC1SCCN1CCCCCO 34a_200011216479_100000746330 [0,2,0,1,0,0|1,0,0]=4 46438 B12R1.372 CCC#CCOC1CCCC1C 34a_100011216460_100009813939 [0,2,0,1,0,0|0,0,1]=4 46439 B12R1.372 CCC#CCOC1CCCC1C 7a_100011216460_100009813939 [0,2,0,1,0,0|0,0,1]=4 46440 B12R1.372 CCC#CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009813939 [0,2,0,1,0,0|0,0,1]=4 46441 B12R1.372 CCC#CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009813939 [0,2,0,1,0,0|0,0,1]=4 46442 B12R1.372 CCC#CCO[C@H]1CNC[C@H]1C 34a_200015306588_100009813939 [0,2,0,1,0,0|0,0,1]=4 46443 B12R1.372 CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210314 [0,2,0,1,0,0|1,0,0]=4 46444 B12R1.372 CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210757 [0,2,0,1,0,0|1,0,0]=4 46445 B12R1.372 CCCCCCN1CCC[C@H]1C 2230a_100015189458_100000210314 [0,2,0,1,0,0|1,0,0]=4 46446 B12R1.372 CCCCCCN1CCC[C@H]1C 269982a_100015189458_100000210757 [0,2,0,1,0,0|1,0,0]=4 46447 B12R1.372 CCCCCCN1CCC[C@H]1C 34a_100015189458_100000210314 [0,2,0,1,0,0|1,0,0]=4 46448 B12R1.372 CCCCCCN1CCSC1C 2230a_200011216479_100000210314 [0,2,0,1,0,0|1,0,0]=4 46449 B12R1.372 CCCCCCN1CCSC1C 269982a_200011216479_100000210757 [0,2,0,1,0,0|1,0,0]=4 46450 B12R1.372 CCCCCCN1CCSC1C 34a_200011216479_100000210314 [0,2,0,1,0,0|1,0,0]=4 46451 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [0,2,0,1,0,0|1,0,0]=4 46452 B12R1.372 CCCCCNC1CCCC1C 269862a_100000209983_100000752053 [0,2,0,1,0,0|1,0,0]=4 46453 B12R1.372 CCCCCNC1CCOC1C 270004a_100000209983_100000691750 [0,2,0,1,0,0|1,0,0]=4 46454 B12R1.372 CCCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210326 [0,2,0,1,0,0|1,0,0]=4 46455 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [0,2,0,1,0,0|0,0,0]=3 46456 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [0,2,0,1,0,0|0,0,0]=3 46457 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [0,2,0,1,0,0|0,0,0]=3 46458 B12R1.372 CCCCCOC1CCCC1C 34a_100011216460_100000718602 [0,2,0,1,0,0|0,0,0]=3 46459 B12R1.372 CCCCCOC1CCCC1C 7a_100011216460_100000210326 [0,2,0,1,0,0|0,0,0]=3 46460 B12R1.372 CCCCCOC1CCOC1=O 34a_100000210253_100000211211 [0,2,0,1,0,0|0,0,1]=4 46461 B12R1.372 CCCCCOC1CCOC1=O 7a_100000210253_100000211211 [0,2,0,1,0,0|0,0,1]=4 46462 B12R1.372 CCCCCOC1COCC1O 34a_100000210253_200000725654 [0,2,0,1,0,0|0,0,0]=3 46463 B12R1.372 CCCCCOC1COCC1O 7a_100000210253_200000725654 [0,2,0,1,0,0|0,0,0]=3 46464 B12R1.372 CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000718602 [0,2,0,1,0,0|0,0,0]=3 46465 B12R1.372 CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000718602 [0,2,0,1,0,0|0,0,0]=3 46466 B12R1.372 CCCCCO[C@H]1CCNC1=O 34a_100000688343_100000718602 [0,2,0,1,0,0|0,0,1]=4 46467 B12R1.372 CCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000718602 [0,2,0,1,0,0|0,0,0]=3 46468 B12R1.372 CCCCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000718602 [0,2,0,1,0,0|0,0,0]=3 46469 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [0,2,0,1,0,0|0,1,0]=4 46470 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [0,2,0,1,0,0|0,1,0]=4 46471 B12R1.372 CCCCCSC1COCC1O 62a_100000210326_200000725654 [0,2,0,1,0,0|0,1,0]=4 46472 B12R1.372 CCCCCSC1COCC1O 62a_200000725654_100000210326 [0,2,0,1,0,0|0,1,0]=4 46473 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_100000210326_200016002552 [0,2,0,1,0,0|0,1,0]=4 46474 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210326 [0,2,0,1,0,0|0,1,0]=4 46475 B12R1.372 CCCCNN=C1CCCC1C 4a_100025702795_100000752053 [0,2,0,1,0,0|1,0,0]=4 46476 B12R1.372 CCCCOCC1CCCN1C 34a_100000743107_100000210210 [0,2,0,1,0,0|0,0,0]=3 46477 B12R1.372 CCCCOCC1CCNC1=O 34a_100000133458_100000210210 [0,2,0,1,0,0|0,0,1]=4 46478 B12R1.372 CCCCOCN1CCC[C@@H]1C 2230a_100020605311_100011995733 [0,2,0,1,0,0|0,0,0]=3 46479 B12R1.372 CCCCOCN1CCC[C@@H]1C 269982a_100020605311_100011995733 [0,2,0,1,0,0|0,0,0]=3 46480 B12R1.372 CCCCOCN1CCC[C@H]1C 2230a_100015189458_100011995733 [0,2,0,1,0,0|0,0,0]=3 46481 B12R1.372 CCCCOCN1CCC[C@H]1C 269982a_100015189458_100011995733 [0,2,0,1,0,0|0,0,0]=3 46482 B12R1.372 CCCCOCN1CCC[C@H]1C 34a_100015189458_100011995733 [0,2,0,1,0,0|0,0,0]=3 46483 B12R1.372 CCCCOCN1CCSC1C 2230a_200011216479_100011995733 [0,2,0,1,0,0|0,0,0]=3 46484 B12R1.372 CCCCOCN1CCSC1C 269982a_200011216479_100011995733 [0,2,0,1,0,0|0,0,0]=3 46485 B12R1.372 CCCCOCN1CCSC1C 34a_200011216479_100011995733 [0,2,0,1,0,0|0,0,0]=3 46486 B12R1.372 CCCOCCC1CCCN1C 34a_100000210258_100000005710 [0,2,0,1,0,0|1,0,0]=4 46487 B12R1.372 CCCOCCC1CCCN1C 34a_100011215177_100000210303 [0,2,0,1,0,0|1,0,0]=4 46488 B12R1.372 CCCOCCC1CCCN1C 7a_100011215177_100000210303 [0,2,0,1,0,0|1,0,0]=4 46489 B12R1.372 CCCOCCN1CCC[C@@H]1C 2230a_100020605311_100011215938 [0,2,0,1,0,0|1,0,0]=4 46490 B12R1.372 CCCOCCN1CCC[C@@H]1C 269982a_100020605311_100011215938 [0,2,0,1,0,0|1,0,0]=4 46491 B12R1.372 CCCOCCN1CCC[C@H]1C 2230a_100015189458_100011215938 [0,2,0,1,0,0|1,0,0]=4 46492 B12R1.372 CCCOCCN1CCC[C@H]1C 269982a_100015189458_100011215938 [0,2,0,1,0,0|1,0,0]=4 46493 B12R1.372 CCCOCCN1CCC[C@H]1C 34a_100015189458_100011215938 [0,2,0,1,0,0|1,0,0]=4 46494 B12R1.372 CCCOCCN1CCSC1C 2230a_200011216479_100011215938 [0,2,0,1,0,0|1,0,0]=4 46495 B12R1.372 CCCOCCN1CCSC1C 269982a_200011216479_100011215938 [0,2,0,1,0,0|1,0,0]=4 46496 B12R1.372 CCCOCCN1CCSC1C 34a_200011216479_100011215938 [0,2,0,1,0,0|1,0,0]=4 46497 B12R1.372 CCCSCCC1CCCN1C 62a_100000005710_100000210303 [0,2,0,1,0,0|1,0,0]=4 46498 B12R1.372 CCCSCCC1CCCN1C 62a_100000210303_100000005710 [0,2,0,1,0,0|1,0,0]=4 46499 B12R1.372 CCOCCCN1CCC[C@@H]1C 2230a_100020605311_100012232248 [0,2,0,1,0,0|1,0,0]=4 46500 B12R1.372 CCOCCCN1CCC[C@@H]1C 269982a_100020605311_100012232248 [0,2,0,1,0,0|1,0,0]=4 46501 B12R1.372 CCOCCCN1CCC[C@H]1C 2230a_100015189458_100012232248 [0,2,0,1,0,0|1,0,0]=4 46502 B12R1.372 CCOCCCN1CCC[C@H]1C 269982a_100015189458_100012232248 [0,2,0,1,0,0|1,0,0]=4 46503 B12R1.372 CCOCCCN1CCC[C@H]1C 34a_100015189458_100012232248 [0,2,0,1,0,0|1,0,0]=4 46504 B12R1.372 CCOCCCN1CCSC1C 2230a_200011216479_100012232248 [0,2,0,1,0,0|1,0,0]=4 46505 B12R1.372 CCOCCCN1CCSC1C 269982a_200011216479_100012232248 [0,2,0,1,0,0|1,0,0]=4 46506 B12R1.372 CCOCCCN1CCSC1C 34a_200011216479_100012232248 [0,2,0,1,0,0|1,0,0]=4 46507 B12R1.372 CCOCCNC1CCCC1C 269862a_100011200944_100000752053 [0,2,0,1,0,0|1,0,0]=4 46508 B12R1.372 CCOCCNC1CCOC1C 270004a_102516460346_100000691750 [0,2,0,1,0,0|1,0,0]=4 46509 B12R1.372 CCOCCOC1CCCC1=O 34a_100000210136_100000709159 [0,2,0,1,0,0|0,0,1]=4 46510 B12R1.372 CCOCCOC1CCCC1=O 34a_200000719330_100000210147 [0,2,0,1,0,0|0,0,1]=4 46511 B12R1.372 CCOCCOC1CCCC1=O 7a_100000210136_100000211823 [0,2,0,1,0,0|0,0,1]=4 46512 B12R1.372 CCOCCOC1CCCC1C 34a_100011216460_100000210147 [0,2,0,1,0,0|0,0,0]=3 46513 B12R1.372 CCOCCOC1CCCC1C 7a_100011216460_100011215890 [0,2,0,1,0,0|0,0,0]=3 46514 B12R1.372 CCOCCOC1COCC1O 34a_100000210136_200000725654 [0,2,0,1,0,0|1,0,0]=4 46515 B12R1.372 CCOCCOC1COCC1O 7a_100000210136_200000725654 [0,2,0,1,0,0|1,0,0]=4 46516 B12R1.372 CCOCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210147 [0,2,0,1,0,0|0,0,0]=3 46517 B12R1.372 CCOCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210147 [0,2,0,1,0,0|0,0,0]=3 46518 B12R1.372 CCOCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210147 [0,2,0,1,0,0|0,0,0]=3 46519 B12R1.372 CCOCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210147 [0,2,0,1,0,0|1,0,0]=4 46520 B12R1.372 CCOCCS[C@@H]1CCC[C@H]1O 62a_100000210147_200016002552 [0,2,0,1,0,0|0,1,0]=4 46521 B12R1.372 CCOCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215890 [0,2,0,1,0,0|0,1,0]=4 46522 B12R1.372 CCSCCNC1CCCC1C 269862a_100000106463_100000752053 [0,2,0,1,0,0|1,0,0]=4 46523 B12R1.372 CCSCCNC1CCOC1C 270004a_100000106463_100000691750 [0,2,0,1,0,0|1,0,0]=4 46524 B12R1.372 CCSCCOC1CCCC1=O 34a_100000212035_100000709159 [0,2,0,1,0,0|0,0,1]=4 46525 B12R1.372 CCSCCOC1CCCC1=O 34a_200000719330_100000757381 [0,2,0,1,0,0|0,0,1]=4 46526 B12R1.372 CCSCCOC1CCCC1=O 7a_100000212035_100000211823 [0,2,0,1,0,0|0,0,1]=4 46527 B12R1.372 CCSCCOC1CCCC1C 34a_100011216460_100000757381 [0,2,0,1,0,0|0,0,0]=3 46528 B12R1.372 CCSCCOC1CCCC1C 7a_100011216460_100000757381 [0,2,0,1,0,0|0,0,0]=3 46529 B12R1.372 CCSCCOC1COCC1O 34a_100000212035_200000725654 [0,2,0,1,0,0|1,0,0]=4 46530 B12R1.372 CCSCCOC1COCC1O 7a_100000212035_200000725654 [0,2,0,1,0,0|1,0,0]=4 46531 B12R1.372 CCSCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000757381 [0,2,0,1,0,0|0,0,0]=3 46532 B12R1.372 CCSCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000757381 [0,2,0,1,0,0|0,0,0]=3 46533 B12R1.372 CCSCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000757381 [0,2,0,1,0,0|0,0,0]=3 46534 B12R1.372 CCSCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000757381 [0,2,0,1,0,0|1,0,0]=4 46535 B12R1.372 CCSCCS[C@@H]1CCC[C@H]1O 62a_100000757381_200016002552 [0,2,0,1,0,0|0,1,0]=4 46536 B12R1.372 CCSCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000757381 [0,2,0,1,0,0|0,1,0]=4 46537 B12R1.372 CN1CCCC1COCCCF 34a_100000743107_100011934791 [0,2,0,1,0,0|1,0,0]=4 46538 B12R1.372 CN1CCCC1COCCCO 34a_100000743107_100000230001 [0,2,0,1,0,0|1,0,0]=4 46539 B12R1.372 CNCCCOC1CCCC1=O 34a_100000213112_100000709159 [0,2,0,1,0,0|0,0,1]=4 46540 B12R1.372 CNCCCOC1COCC1O 34a_100000213112_200000725654 [0,2,0,1,0,0|1,0,0]=4 46541 B12R1.372 COCCCCN1CCC[C@@H]1C 2230a_100020605311_100000730899 [0,2,0,1,0,0|1,0,0]=4 46542 B12R1.372 COCCCCN1CCC[C@@H]1C 269982a_100020605311_100000730899 [0,2,0,1,0,0|1,0,0]=4 46543 B12R1.372 COCCCCN1CCC[C@H]1C 2230a_100015189458_100000730899 [0,2,0,1,0,0|1,0,0]=4 46544 B12R1.372 COCCCCN1CCC[C@H]1C 269982a_100015189458_100000730899 [0,2,0,1,0,0|1,0,0]=4 46545 B12R1.372 COCCCCN1CCC[C@H]1C 34a_100015189458_100000755781 [0,2,0,1,0,0|1,0,0]=4 46546 B12R1.372 COCCCCN1CCSC1C 2230a_200011216479_100000730899 [0,2,0,1,0,0|1,0,0]=4 46547 B12R1.372 COCCCCN1CCSC1C 269982a_200011216479_100000730899 [0,2,0,1,0,0|1,0,0]=4 46548 B12R1.372 COCCCCN1CCSC1C 34a_200011216479_100000755781 [0,2,0,1,0,0|1,0,0]=4 46549 B12R1.372 COCCCNC1CCCC1C 269862a_100150723488_100000752053 [0,2,0,1,0,0|1,0,0]=4 46550 B12R1.372 COCCCNC1CCOC1C 270004a_100150723488_100000691750 [0,2,0,1,0,0|1,0,0]=4 46551 B12R1.372 COCCCOC1CCCC1=O 34a_100000740835_100000709159 [0,2,0,1,0,0|0,0,1]=4 46552 B12R1.372 COCCCOC1CCCC1=O 34a_200000719330_100000740836 [0,2,0,1,0,0|0,0,1]=4 46553 B12R1.372 COCCCOC1CCCC1C 34a_100011216460_100000740836 [0,2,0,1,0,0|0,0,0]=3 46554 B12R1.372 COCCCOC1CCCC1C 7a_100011216460_100000740836 [0,2,0,1,0,0|0,0,0]=3 46555 B12R1.372 COCCCOC1COCC1O 34a_100000740835_200000725654 [0,2,0,1,0,0|1,0,0]=4 46556 B12R1.372 COCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000740836 [0,2,0,1,0,0|0,0,0]=3 46557 B12R1.372 COCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000740836 [0,2,0,1,0,0|0,0,0]=3 46558 B12R1.372 COCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000740836 [0,2,0,1,0,0|0,0,0]=3 46559 B12R1.372 COCCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000740836 [0,2,0,1,0,0|1,0,0]=4 46560 B12R1.372 COCCCS[C@@H]1CCC[C@H]1O 62a_100000709357_200016002552 [0,2,0,1,0,0|0,1,0]=4 46561 B12R1.372 COCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000709357 [0,2,0,1,0,0|0,1,0]=4 46562 B12R1.372 COCCOCC1CCCN1C 34a_100000743107_100011201679 [0,2,0,1,0,0|1,0,0]=4 46563 B12R1.372 COCCOCN1CCC[C@@H]1C 2230a_100020605311_100000231047 [0,2,0,1,0,0|1,0,0]=4 46564 B12R1.372 COCCOCN1CCC[C@@H]1C 269982a_100020605311_100000231047 [0,2,0,1,0,0|1,0,0]=4 46565 B12R1.372 COCCOCN1CCC[C@H]1C 2230a_100015189458_100000231047 [0,2,0,1,0,0|1,0,0]=4 46566 B12R1.372 COCCOCN1CCC[C@H]1C 269982a_100015189458_100000231047 [0,2,0,1,0,0|1,0,0]=4 46567 B12R1.372 COCCOCN1CCSC1C 2230a_200011216479_100000231047 [0,2,0,1,0,0|1,0,0]=4 46568 B12R1.372 COCCOCN1CCSC1C 269982a_200011216479_100000231047 [0,2,0,1,0,0|1,0,0]=4 46569 B12R1.372 CSCCCNC1CCCC1C 269862a_100000749238_100000752053 [0,2,0,1,0,0|1,0,0]=4 46570 B12R1.372 CSCCCNC1CCOC1C 270004a_100000749238_100000691750 [0,2,0,1,0,0|1,0,0]=4 46571 B12R1.372 CSCCCOC1CCCC1=O 34a_100000690336_100000709159 [0,2,0,1,0,0|0,0,1]=4 46572 B12R1.372 CSCCCOC1CCCC1=O 7a_100000690336_100000211823 [0,2,0,1,0,0|0,0,1]=4 46573 B12R1.372 CSCCCOC1COCC1O 34a_100000690336_200000725654 [0,2,0,1,0,0|1,0,0]=4 46574 B12R1.372 CSCCCOC1COCC1O 7a_100000690336_200000725654 [0,2,0,1,0,0|1,0,0]=4 46575 B12R1.372 CSCCOCC1CCCN1C 34a_100000743107_100000212216 [0,2,0,1,0,0|1,0,0]=4 46576 B12R1.372 C[C@@H]1CCCN1CCCCC#N 2230a_100015189458_100000211819 [0,2,0,1,0,0|1,0,0]=4 46577 B12R1.372 C[C@@H]1CCCN1CCCCC#N 269982a_100015189458_100011219923 [0,2,0,1,0,0|1,0,0]=4 46578 B12R1.372 C[C@@H]1CCCN1CCCCC=O 2230a_100015189458_100000139335 [0,2,0,1,0,0|1,0,0]=4 46579 B12R1.372 C[C@@H]1CCCN1CCCCC=O 269982a_100015189458_100000139335 [0,2,0,1,0,0|1,0,0]=4 46580 B12R1.372 C[C@@H]1CCCN1CCCCCF 2230a_100015189458_100000729378 [0,2,0,1,0,0|1,0,0]=4 46581 B12R1.372 C[C@@H]1CCCN1CCCCCF 269982a_100015189458_100000729378 [0,2,0,1,0,0|1,0,0]=4 46582 B12R1.372 C[C@@H]1CCCN1CCCCCF 34a_100015189458_100000729378 [0,2,0,1,0,0|1,0,0]=4 46583 B12R1.372 C[C@@H]1CCCN1CCCCCO 2230a_100015189458_100000746330 [0,2,0,1,0,0|1,0,0]=4 46584 B12R1.372 C[C@@H]1CCCN1CCCCCO 269982a_100015189458_100000746330 [0,2,0,1,0,0|1,0,0]=4 46585 B12R1.372 C[C@@H]1CCCN1CCCCCO 34a_100015189458_100000746330 [0,2,0,1,0,0|1,0,0]=4 46586 B12R1.372 C[C@@H]1CCCN1CCOCCO 2230a_100015189458_100011215305 [0,2,0,1,0,0|1,0,0]=4 46587 B12R1.372 C[C@@H]1CCCN1CCOCCO 269982a_100015189458_100011215305 [0,2,0,1,0,0|1,0,0]=4 46588 B12R1.372 C[C@@H]1CCCN1CCOCCO 34a_100015189458_100000692535 [0,2,0,1,0,0|1,0,0]=4 46589 B12R1.372 C[C@@H]1CNC[C@@H]1OCCCCF 34a_200015306588_100000729493 [0,2,0,1,0,0|0,0,0]=3 46590 B12R1.372 C[C@@H]1CNC[C@@H]1OCCCCO 34a_200015306588_100011216708 [0,2,0,1,0,0|0,0,0]=3 46591 B12R1.372 C[C@H]1CCCN1CCCCC#N 2230a_100020605311_100000211819 [0,2,0,1,0,0|1,0,0]=4 46592 B12R1.372 C[C@H]1CCCN1CCCCC#N 269982a_100020605311_100011219923 [0,2,0,1,0,0|1,0,0]=4 46593 B12R1.372 C[C@H]1CCCN1CCCCC=O 2230a_100020605311_100000139335 [0,2,0,1,0,0|1,0,0]=4 46594 B12R1.372 C[C@H]1CCCN1CCCCC=O 269982a_100020605311_100000139335 [0,2,0,1,0,0|1,0,0]=4 46595 B12R1.372 C[C@H]1CCCN1CCCCCF 2230a_100020605311_100000729378 [0,2,0,1,0,0|1,0,0]=4 46596 B12R1.372 C[C@H]1CCCN1CCCCCF 269982a_100020605311_100000729378 [0,2,0,1,0,0|1,0,0]=4 46597 B12R1.372 C[C@H]1CCCN1CCCCCO 2230a_100020605311_100000746330 [0,2,0,1,0,0|1,0,0]=4 46598 B12R1.372 C[C@H]1CCCN1CCCCCO 269982a_100020605311_100000746330 [0,2,0,1,0,0|1,0,0]=4 46599 B12R1.372 C[C@H]1CCCN1CCOCCO 2230a_100020605311_100011215305 [0,2,0,1,0,0|1,0,0]=4 46600 B12R1.372 C[C@H]1CCCN1CCOCCO 269982a_100020605311_100011215305 [0,2,0,1,0,0|1,0,0]=4 46601 B12R1.372 FCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000729493 [0,2,0,1,0,0|0,0,0]=3 46602 B12R1.372 NCCCCOC1CCCC1=O 34a_100000750430_100000709159 [0,2,0,1,0,0|0,0,1]=4 46603 B12R1.372 NCCCCOC1COCC1O 34a_100000750430_200000725654 [0,2,0,1,0,0|1,0,0]=4 46604 B12R1.372 N[C@H]1CCC[C@@H]1OCCCCF 34a_100000748460_100000729493 [0,2,0,1,0,0|0,0,0]=3 46605 B12R1.372 N[C@H]1CCC[C@@H]1OCCCCO 34a_100000748460_100011216708 [0,2,0,1,0,0|0,0,0]=3 46606 B12R1.372 N[C@H]1COC[C@@H]1OCCCCF 34a_100015191717_100000729493 [0,2,0,1,0,0|1,0,0]=4 46607 B12R1.372 N[C@H]1COC[C@@H]1OCCCCO 34a_100015191717_100011216708 [0,2,0,1,0,0|1,0,0]=4 46608 B12R1.372 O=C1CCCC1OCCCCBr 34a_100011216708_100000709159 [0,2,0,1,0,0|0,0,1]=4 46609 B12R1.372 O=C1CCCC1OCCCCCl 34a_100000210776_100000709159 [0,2,0,1,0,0|0,0,1]=4 46610 B12R1.372 O=C1CCCC1OCCCCCl 7a_100000210776_100000211823 [0,2,0,1,0,0|0,0,1]=4 46611 B12R1.372 O=C1CCCC1OCCCCF 34a_100011995726_100000709159 [0,2,0,1,0,0|0,0,1]=4 46612 B12R1.372 O=C1CCCC1OCCCCF 34a_200000719330_100000729493 [0,2,0,1,0,0|0,0,1]=4 46613 B12R1.372 O=C1CCCC1OCCCCF 7a_100011995726_100000211823 [0,2,0,1,0,0|0,0,1]=4 46614 B12R1.372 O=C1CCCC1OCCCCI 34a_200012148704_100000709159 [0,2,0,1,0,0|0,0,1]=4 46615 B12R1.372 O=C1CCCC1OCCCCO 34a_200000719330_100011216708 [0,2,0,1,0,0|0,0,1]=4 46616 B12R1.372 OC1COCC1OCCCCBr 34a_100011216708_200000725654 [0,2,0,1,0,0|1,0,0]=4 46617 B12R1.372 OC1COCC1OCCCCCl 34a_100000210776_200000725654 [0,2,0,1,0,0|1,0,0]=4 46618 B12R1.372 OC1COCC1OCCCCCl 7a_100000210776_200000725654 [0,2,0,1,0,0|1,0,0]=4 46619 B12R1.372 OC1COCC1OCCCCF 34a_100011995726_200000725654 [0,2,0,1,0,0|1,0,0]=4 46620 B12R1.372 OC1COCC1OCCCCF 7a_100011995726_200000725654 [0,2,0,1,0,0|1,0,0]=4 46621 B12R1.372 OC1COCC1OCCCCI 34a_200012148704_200000725654 [0,2,0,1,0,0|1,0,0]=4 46622 B12R1.372 OCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011216708 [0,2,0,1,0,0|0,0,0]=3 46623 B12R1.372 OCCCCS[C@@H]1CCC[C@H]1O 62a_100000210776_200016002552 [0,2,0,1,0,0|0,1,0]=4 46624 B12R1.372 OCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210776 [0,2,0,1,0,0|0,1,0]=4 46625 B12R1.372 O[C@@H]1CCC[C@H]1SCCCCF 62a_100000729493_200016002552 [0,2,0,1,0,0|0,1,0]=4 46626 B12R1.372 O[C@@H]1CCC[C@H]1SCCCCF 62a_200016002552_100000729493 [0,2,0,1,0,0|0,1,0]=4 46627 B12R1.535 CCCC(C)N1CCC1COC 2230a_100015195929_100000766640 [0,2,0,1,0,0|1,0,0]=4 46628 B12R1.535 CCCC(C)N1CCC1COC 269982a_100015195929_100000766640 [0,2,0,1,0,0|1,0,0]=4 46629 B12R1.535 CCCC(C)N1CCC1COC 270004a_100015195929_100000211909 [0,2,0,1,0,0|1,0,0]=4 46630 B12R1.535 CCCC(C)N1CCC1COC 34a_100015195929_100000766640 [0,2,0,1,0,0|1,0,0]=4 46631 B12R1.923 C#CCCCCOC(C)C1CC1 34a_100000744524_100010269958 [0,2,0,1,0,0|0,0,1]=4 46632 B12R1.923 C#CCCCCOC(C)C1CC1 7a_100000744524_100010269958 [0,2,0,1,0,0|0,0,1]=4 46633 B12R1.923 C#CCCCOC[C@H](N)C1CC1 34a_100020623730_100000695029 [0,2,0,1,0,0|0,0,1]=4 46634 B12R1.923 C=CCCCCOC(C)C1CC1 34a_100000744524_100011215482 [0,2,0,1,0,0|0,0,1]=4 46635 B12R1.923 C=CCCCCOC(C)C1CC1 7a_100000744524_100011215482 [0,2,0,1,0,0|0,0,1]=4 46636 B12R1.923 C=CCCCOC[C@H](N)C1CC1 34a_100020623730_100000757094 [0,2,0,1,0,0|0,0,1]=4 46637 B12R1.923 CC(NCCCCCF)C1CC1 2230a_100000700016_100000729378 [0,2,0,1,0,0|1,0,0]=4 46638 B12R1.923 CC(NCCCCCF)C1CC1 34a_100000700016_100000729378 [0,2,0,1,0,0|1,0,0]=4 46639 B12R1.923 CC(NCCCCCO)C1CC1 2230a_100000700016_100000746330 [0,2,0,1,0,0|1,0,0]=4 46640 B12R1.923 CC(NCCCCCO)C1CC1 269862a_100000762737_100000210639 [0,2,0,1,0,0|1,0,0]=4 46641 B12R1.923 CC(NCCCCCO)C1CC1 34a_100000700016_100000746330 [0,2,0,1,0,0|1,0,0]=4 46642 B12R1.923 CC(OCCCCC#N)C1CC1 7a_100000744524_100000211819 [0,2,0,1,0,0|0,0,1]=4 46643 B12R1.923 CC(OCCCCC=O)C1CC1 7a_100000744524_100000139335 [0,2,0,1,0,0|0,0,1]=4 46644 B12R1.923 CC(OCCCCCF)C1CC1 34a_100000744524_100000729378 [0,2,0,1,0,0|0,0,0]=3 46645 B12R1.923 CC(OCCCCCF)C1CC1 7a_100000744524_100000729378 [0,2,0,1,0,0|0,0,0]=3 46646 B12R1.923 CC(OCCCCCO)C1CC1 34a_100000744524_100000746330 [0,2,0,1,0,0|0,0,0]=3 46647 B12R1.923 CC(OCCCCCO)C1CC1 7a_100000744524_100000746330 [0,2,0,1,0,0|0,0,0]=3 46648 B12R1.923 CC(OCCOCCO)C1CC1 34a_100000744524_100000692535 [0,2,0,1,0,0|1,0,0]=4 46649 B12R1.923 CC(OCCOCCO)C1CC1 7a_100000744524_100011215305 [0,2,0,1,0,0|1,0,0]=4 46650 B12R1.923 CC/C=C\CCOC(C)C1CC1 34a_100000744524_100015370543 [0,2,0,1,0,0|0,0,1]=4 46651 B12R1.923 CC/C=C\CCOC(C)C1CC1 7a_100000744524_100015370543 [0,2,0,1,0,0|0,0,1]=4 46652 B12R1.923 CC/C=C\COC[C@H](N)C1CC1 34a_100020623730_100103147603 [0,2,0,1,0,0|0,0,1]=4 46653 B12R1.923 CCC#CCOC[C@H](N)C1CC1 34a_100020623730_100009813939 [0,2,0,1,0,0|0,0,1]=4 46654 B12R1.923 CCCCCCCC(=O)C1CC1 1458a_100000210395_100000210614 [0,2,0,1,0,0|1,0,0]=4 46655 B12R1.923 CCCCCCCN(C)C1CC1 2230a_100000226674_100000210681 [0,2,0,1,0,0|1,0,0]=4 46656 B12R1.923 CCCCCCCN(C)C1CC1 269982a_100000226674_100000210681 [0,2,0,1,0,0|1,0,0]=4 46657 B12R1.923 CCCCCCCN(C)C1CC1 269982a_100000228206_100000211595 [0,2,0,1,0,0|1,0,0]=4 46658 B12R1.923 CCCCCCNC(C)C1CC1 2230a_100000700016_100000210314 [0,2,0,1,0,0|1,0,0]=4 46659 B12R1.923 CCCCCCNC(C)C1CC1 269862a_100000210581_100000210639 [0,2,0,1,0,0|1,0,0]=4 46660 B12R1.923 CCCCCCNC(C)C1CC1 34a_100000700016_100000210314 [0,2,0,1,0,0|1,0,0]=4 46661 B12R1.923 CCCCCCOC(C)C1CC1 34a_100000744524_100000210314 [0,2,0,1,0,0|0,0,0]=3 46662 B12R1.923 CCCCCCOC(C)C1CC1 7a_100000744524_100000210314 [0,2,0,1,0,0|0,0,0]=3 46663 B12R1.923 CCCCCNCC(=O)C1CC1 2230a_100000209983_100000746382 [0,2,0,1,0,0|1,0,0]=4 46664 B12R1.923 CCCCCNCC(O)C1CC1 2230a_100000751198_100000210326 [0,2,0,1,0,0|1,0,0]=4 46665 B12R1.923 CCCCCNCC(O)C1CC1 34a_100000751198_100000718602 [0,2,0,1,0,0|1,0,0]=4 46666 B12R1.923 CCCCCOCC(=O)C1CC1 34a_100000210253_100000746382 [0,2,0,1,0,0|0,0,0]=3 46667 B12R1.923 CCCCCOCC(=O)C1CC1 34a_100000686663_100000718602 [0,2,0,1,0,0|0,0,0]=3 46668 B12R1.923 CCCCCOCC(=O)C1CC1 7a_100000210253_100000746382 [0,2,0,1,0,0|0,0,0]=3 46669 B12R1.923 CCCCCOC[C@H](N)C1CC1 34a_100020623730_100000718602 [0,2,0,1,0,0|0,0,0]=3 46670 B12R1.923 CCCCCSCC(=O)C1CC1 62a_100000210326_100000746382 [0,2,0,1,0,0|0,1,0]=4 46671 B12R1.923 CCCCCSCC(=O)C1CC1 62a_100000746382_100000210326 [0,2,0,1,0,0|0,1,0]=4 46672 B12R1.923 CCCCNCOC(=O)C1CC1 2230a_100000102301_100000140896 [0,2,0,1,0,0|0,0,1]=4 46673 B12R1.923 CCCCOCCC(=O)C1CC1 1458a_100000210395_100000743108 [0,2,0,1,0,0|0,0,0]=3 46674 B12R1.923 CCCCOCCC(=O)C1CO1 1458a_100000701028_100000743108 [0,2,0,1,0,0|0,0,1]=4 46675 B12R1.923 CCCCOCCN(C)C1CC1 2230a_100000226674_100000743108 [0,2,0,1,0,0|0,0,0]=3 46676 B12R1.923 CCCCOCCN(C)C1CC1 269982a_100000226674_100000743108 [0,2,0,1,0,0|0,0,0]=3 46677 B12R1.923 CCCCOCNC(C)C1CC1 2230a_100000700016_100011995733 [0,2,0,1,0,0|0,0,0]=3 46678 B12R1.923 CCCCOCNC(C)C1CC1 34a_100000700016_100011995733 [0,2,0,1,0,0|0,0,0]=3 46679 B12R1.923 CCCCOCOC(=O)C1CC1 34a_100000210227_100000140896 [0,2,0,1,0,0|0,0,1]=4 46680 B12R1.923 CCCCOCOC(C)C1CC1 34a_100000744524_100011995733 [0,2,0,1,0,0|0,0,0]=3 46681 B12R1.923 CCCCSCOC(=O)C1CC1 62a_100000140896_100000210210 [0,2,0,1,0,0|0,0,1]=4 46682 B12R1.923 CCCCSCOC(=O)C1CC1 62a_100000210211_100000140896 [0,2,0,1,0,0|0,0,1]=4 46683 B12R1.923 CCCOCCNC(C)C1CC1 2230a_100000700016_100011215938 [0,2,0,1,0,0|1,0,0]=4 46684 B12R1.923 CCCOCCNC(C)C1CC1 269862a_100161115042_100000210639 [0,2,0,1,0,0|1,0,0]=4 46685 B12R1.923 CCCOCCNC(C)C1CC1 34a_100000700016_100011215938 [0,2,0,1,0,0|1,0,0]=4 46686 B12R1.923 CCCOCCOC(C)C1CC1 34a_100000744524_100011215938 [0,2,0,1,0,0|0,0,0]=3 46687 B12R1.923 CCCOCCOC(C)C1CC1 7a_100000744524_100011215938 [0,2,0,1,0,0|0,0,0]=3 46688 B12R1.923 CCCSCCNC(C)C1CC1 269862a_100020603323_100000210639 [0,2,0,1,0,0|1,0,0]=4 46689 B12R1.923 CCOCCCNC(C)C1CC1 2230a_100000700016_100012232248 [0,2,0,1,0,0|1,0,0]=4 46690 B12R1.923 CCOCCCNC(C)C1CC1 269862a_100000210961_100000210639 [0,2,0,1,0,0|1,0,0]=4 46691 B12R1.923 CCOCCCNC(C)C1CC1 34a_100000700016_100012232248 [0,2,0,1,0,0|1,0,0]=4 46692 B12R1.923 CCOCCCOC(C)C1CC1 34a_100000744524_100012232248 [0,2,0,1,0,0|0,0,0]=3 46693 B12R1.923 CCOCCCOC(C)C1CC1 7a_100000744524_100012232248 [0,2,0,1,0,0|0,0,0]=3 46694 B12R1.923 CCOCCNCC(O)C1CC1 2230a_100000751198_100011215890 [0,2,0,1,0,0|1,0,0]=4 46695 B12R1.923 CCOCCNCC(O)C1CC1 34a_100000751198_100000210147 [0,2,0,1,0,0|1,0,0]=4 46696 B12R1.923 CCOCCOCC(=O)C1CC1 34a_100000210136_100000746382 [0,2,0,1,0,0|0,0,1]=4 46697 B12R1.923 CCOCCOCC(=O)C1CC1 34a_100000686663_100000210147 [0,2,0,1,0,0|0,0,1]=4 46698 B12R1.923 CCOCCOCC(=O)C1CC1 7a_100000210136_100000746382 [0,2,0,1,0,0|0,0,1]=4 46699 B12R1.923 CCOCCOC[C@H](N)C1CC1 34a_100020623730_100000210147 [0,2,0,1,0,0|0,0,0]=3 46700 B12R1.923 CCSCCNCC(O)C1CC1 2230a_100000751198_100000757381 [0,2,0,1,0,0|1,0,0]=4 46701 B12R1.923 CCSCCNCC(O)C1CC1 34a_100000751198_100000757381 [0,2,0,1,0,0|1,0,0]=4 46702 B12R1.923 CCSCCOCC(=O)C1CC1 34a_100000212035_100000746382 [0,2,0,1,0,0|0,0,1]=4 46703 B12R1.923 CCSCCOCC(=O)C1CC1 34a_100000686663_100000757381 [0,2,0,1,0,0|0,0,1]=4 46704 B12R1.923 CCSCCOCC(=O)C1CC1 7a_100000212035_100000746382 [0,2,0,1,0,0|0,0,1]=4 46705 B12R1.923 CCSCCOC[C@H](N)C1CC1 34a_100020623730_100000757381 [0,2,0,1,0,0|0,0,0]=3 46706 B12R1.923 CNCCCOCC(=O)C1CC1 34a_100000213112_100000746382 [0,2,0,1,0,0|0,0,1]=4 46707 B12R1.923 COCCCCNC(C)C1CC1 2230a_100000700016_100000730899 [0,2,0,1,0,0|1,0,0]=4 46708 B12R1.923 COCCCCNC(C)C1CC1 34a_100000700016_100000755781 [0,2,0,1,0,0|1,0,0]=4 46709 B12R1.923 COCCCCOC(C)C1CC1 34a_100000744524_100000755781 [0,2,0,1,0,0|0,0,0]=3 46710 B12R1.923 COCCCCOC(C)C1CC1 7a_100000744524_100000730899 [0,2,0,1,0,0|0,0,0]=3 46711 B12R1.923 COCCCNCC(O)C1CC1 2230a_100000751198_100000740836 [0,2,0,1,0,0|1,0,0]=4 46712 B12R1.923 COCCCNCC(O)C1CC1 34a_100000751198_100000740836 [0,2,0,1,0,0|1,0,0]=4 46713 B12R1.923 COCCCOCC(=O)C1CC1 34a_100000686663_100000740836 [0,2,0,1,0,0|0,0,1]=4 46714 B12R1.923 COCCCOCC(=O)C1CC1 34a_100000740835_100000746382 [0,2,0,1,0,0|0,0,1]=4 46715 B12R1.923 COCCCOC[C@H](N)C1CC1 34a_100020623730_100000740836 [0,2,0,1,0,0|0,0,0]=3 46716 B12R1.923 COCCOCCC(=O)C1CC1 1458a_100000210395_100000695917 [0,2,0,1,0,0|1,0,0]=4 46717 B12R1.923 COCCOCCN(C)C1CC1 2230a_100000226674_100000695917 [0,2,0,1,0,0|1,0,0]=4 46718 B12R1.923 COCCOCCN(C)C1CC1 269982a_100000226674_100000695917 [0,2,0,1,0,0|1,0,0]=4 46719 B12R1.923 COCCOCNC(C)C1CC1 2230a_100000700016_100000231047 [0,2,0,1,0,0|1,0,0]=4 46720 B12R1.923 CSCCCOCC(=O)C1CC1 34a_100000690336_100000746382 [0,2,0,1,0,0|0,0,1]=4 46721 B12R1.923 CSCCCOCC(=O)C1CC1 7a_100000690336_100000746382 [0,2,0,1,0,0|0,0,1]=4 46722 B12R1.923 NCCCCOCC(=O)C1CC1 34a_100000750430_100000746382 [0,2,0,1,0,0|0,0,1]=4 46723 B12R1.923 N[C@@H](COCCCCF)C1CC1 34a_100020623730_100000729493 [0,2,0,1,0,0|0,0,0]=3 46724 B12R1.923 N[C@@H](COCCCCO)C1CC1 34a_100020623730_100011216708 [0,2,0,1,0,0|0,0,0]=3 46725 B12R1.923 O=C(COCCCCBr)C1CC1 34a_100011216708_100000746382 [0,2,0,1,0,0|0,0,1]=4 46726 B12R1.923 O=C(COCCCCCl)C1CC1 34a_100000210776_100000746382 [0,2,0,1,0,0|0,0,1]=4 46727 B12R1.923 O=C(COCCCCCl)C1CC1 7a_100000210776_100000746382 [0,2,0,1,0,0|0,0,1]=4 46728 B12R1.923 O=C(COCCCCF)C1CC1 34a_100000686663_100000729493 [0,2,0,1,0,0|0,0,1]=4 46729 B12R1.923 O=C(COCCCCF)C1CC1 34a_100011995726_100000746382 [0,2,0,1,0,0|0,0,1]=4 46730 B12R1.923 O=C(COCCCCF)C1CC1 7a_100011995726_100000746382 [0,2,0,1,0,0|0,0,1]=4 46731 B12R1.923 O=C(COCCCCI)C1CC1 34a_200012148704_100000746382 [0,2,0,1,0,0|0,0,1]=4 46732 B12R1.923 O=C(COCCCCO)C1CC1 34a_100000686663_100011216708 [0,2,0,1,0,0|0,0,1]=4 46733 B12R1.923 OC(CNCCCCF)C1CC1 2230a_100000751198_100000729493 [0,2,0,1,0,0|1,0,0]=4 46734 B12R1.923 OC(CNCCCCF)C1CC1 34a_100000751198_100000729493 [0,2,0,1,0,0|1,0,0]=4 46735 B12R1.923 OCCCCNCC(O)C1CC1 2230a_100000751198_100000210776 [0,2,0,1,0,0|1,0,0]=4 46736 B12R1.923 OCCCCNCC(O)C1CC1 34a_100000751198_100011216708 [0,2,0,1,0,0|1,0,0]=4 46737 B12R1.1419 CCCCCN1CC(C1)COC 2230a_100016993750_100000210326 [0,2,0,1,0,0|1,0,0]=4 46738 B12R1.1419 CCCCCN1CC(C1)COC 269982a_100016993750_100000210215 [0,2,0,1,0,0|1,0,0]=4 46739 B12R1.1419 CCCCCN1CC(C1)COC 34a_100016993750_100000718602 [0,2,0,1,0,0|1,0,0]=4 46740 B12R1.1419 CCCCCN1CC(C1)OCC 269982a_100000732654_100000210215 [0,2,0,1,0,0|1,0,0]=4 46741 B12R1.1419 CCCCCN1CC(C1)OCC 34a_100000732654_100000718602 [0,2,0,1,0,0|1,0,0]=4 46742 B12R1.1419 CCCCNC1CC(C1)COC 2230a_100012180050_100000210211 [0,2,0,1,0,0|1,0,0]=4 46743 B12R1.1419 CCCCNC1CC(C1)COC 270004a_100000102301_100010371266 [0,2,0,1,0,0|1,0,0]=4 46744 B12R1.1444 CCCN1CCOCC(C1)CO 2230a_100103147999_100000210303 [0,2,0,1,0,0|1,0,0]=4 46745 B12R1.1444 CCCN1CCOCC(C1)CO 269982a_100103147999_100000210303 [0,2,0,1,0,0|1,0,0]=4 46746 B12R1.1444 CCCN1CCOCC(C1)CO 34a_100103147999_100000210303 [0,2,0,1,0,0|1,0,0]=4 46747 B12R1.1505 CC1CC1COC[C@@H](O)CC#N 7a_100000744939_100000001066 [0,2,0,1,0,0|0,0,1]=4 46748 B12R1.1505 CCCC(=O)COCC1CC1C 7a_100000744939_100000747444 [0,2,0,1,0,0|0,0,0]=3 46749 B12R1.1505 CCCC(C)COCC1CC1C 34a_100000744939_100011216630 [0,2,0,1,0,0|0,0,0]=3 46750 B12R1.1505 CCCC(C)COCC1CC1C 7a_100000744939_100011216630 [0,2,0,1,0,0|0,0,0]=3 46751 B12R1.1505 CCNC(=O)COCC1CC1C 34a_100000744939_100000183381 [0,2,0,1,0,0|0,0,1]=4 46752 B12R1.1505 CCNC(=O)COCC1CC1C 7a_100000744939_100000183381 [0,2,0,1,0,0|0,0,1]=4 46753 B12R1.1505 CCOC(=O)COCC1CC1C 34a_100000744939_100000188475 [0,2,0,1,0,0|0,0,1]=4 46754 B12R1.1505 CCOC(=O)COCC1CC1C 7a_100000744939_100000188475 [0,2,0,1,0,0|0,0,1]=4 46755 B12R1.1505 COCC(O)COCC1CC1C 34a_100000744939_100011215053 [0,2,0,1,0,0|0,0,0]=3 46756 B12R1.1505 COCC(O)COCC1CC1C 7a_100000744939_100011215053 [0,2,0,1,0,0|0,0,0]=3 46757 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000211992_100011217769 [0,2,0,1,0,0|1,0,0]=4 46758 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000749507_100000210303 [0,2,0,1,0,0|1,0,0]=4 46759 B12R1.1564 CCCC(C)N1CCCCCC1 2230a_100000185865_100000766640 [0,2,0,1,0,0|1,0,0]=4 46760 B12R1.1564 CCCC(C)N1CCCCCC1 269982a_100000185865_100000766640 [0,2,0,1,0,0|1,0,0]=4 46761 B12R1.1564 CCCC(C)N1CCCCCC1 270004a_100000185865_100000211909 [0,2,0,1,0,0|1,0,0]=4 46762 B12R1.1564 CCCC(C)N1CCCCCC1 34a_100000185865_100000766640 [0,2,0,1,0,0|1,0,0]=4 46763 B12R1.1564 CCCC(C)N1CCCOCC1 2230a_100000685342_100000766640 [0,2,0,1,0,0|1,0,0]=4 46764 B12R1.1564 CCCC(C)N1CCCOCC1 269982a_100000685342_100000766640 [0,2,0,1,0,0|1,0,0]=4 46765 B12R1.1564 CCCC(C)N1CCCOCC1 270004a_100000685342_100000211909 [0,2,0,1,0,0|1,0,0]=4 46766 B12R1.1564 CCCC(C)N1CCCOCC1 34a_100000685342_100000766640 [0,2,0,1,0,0|1,0,0]=4 46767 B12R1.1564 CCCN(C)C1CCCCCC1 2230a_100015185097_100000210303 [0,2,0,1,0,0|1,0,0]=4 46768 B12R1.1564 CCCN(C)C1CCCCCC1 2230a_100015187045_200000210301 [0,2,0,1,0,0|1,0,0]=4 46769 B12R1.1564 CCCN(C)C1CCCCCC1 269982a_100000747261_100011217769 [0,2,0,1,0,0|1,0,0]=4 46770 B12R1.1564 CCCN(C)C1CCCCCC1 269982a_100015185097_100000210303 [0,2,0,1,0,0|1,0,0]=4 46771 B12R1.1564 CCCN(C)C1CCCCCC1 269982a_100015187045_200000210301 [0,2,0,1,0,0|1,0,0]=4 46772 B12R1.1564 CCCN(C)C1CCCCCC1 270004a_100000747261_100000210131 [0,2,0,1,0,0|1,0,0]=4 46773 B12R1.1564 CCCN(C)C1CCCCCC1 34a_100015185097_100000210303 [0,2,0,1,0,0|1,0,0]=4 46774 B12R1.1564 CCCN(C)C1CCCCCC1 34a_100015187045_200000210301 [0,2,0,1,0,0|1,0,0]=4 46775 B12R1.1564 CCCN([13CH3])C1CCCCCC1 2230a_100015187045_200025704644 [0,2,0,1,0,0|1,0,0]=4 46776 B12R1.1564 CCCN([13CH3])C1CCCCCC1 269982a_100015187045_200025704644 [0,2,0,1,0,0|1,0,0]=4 46777 B12R1.1564 CCCN([13CH3])C1CCCCCC1 34a_100015187045_200025704644 [0,2,0,1,0,0|1,0,0]=4 46778 B12R1.1996 C#CCCCCOC1(CCC1)C 34a_100000759064_100010269958 [0,2,0,1,0,0|0,0,1]=4 46779 B12R1.1996 C#CCCCCOC1(CCC1)C 7a_100000759064_100010269958 [0,2,0,1,0,0|0,0,1]=4 46780 B12R1.1996 C#CCCCOCC1(CCC1)C 34a_100000215630_100000726658 [0,2,0,1,0,0|0,0,1]=4 46781 B12R1.1996 C#CCCCOCC1(CCC1)C 7a_100000215630_100000726658 [0,2,0,1,0,0|0,0,1]=4 46782 B12R1.1996 C/C=C/CCOCC1(CCC1)C 34a_100016278192_100000726658 [0,2,0,1,0,0|0,0,1]=4 46783 B12R1.1996 C=CCCCCOC1(CCC1)C 34a_100000759064_100011215482 [0,2,0,1,0,0|0,0,1]=4 46784 B12R1.1996 C=CCCCCOC1(CCC1)C 7a_100000759064_100011215482 [0,2,0,1,0,0|0,0,1]=4 46785 B12R1.1996 C=CCCCOCC1(CCC1)C 34a_100000758997_100000726658 [0,2,0,1,0,0|0,0,1]=4 46786 B12R1.1996 C=CCCCOCC1(CCC1)C 7a_100000758997_100000726658 [0,2,0,1,0,0|0,0,1]=4 46787 B12R1.1996 CC#CCCOCC1(CCC1)C 34a_100000750427_100000726658 [0,2,0,1,0,0|0,0,1]=4 46788 B12R1.1996 CC/C=C\CCOC1(CCC1)C 34a_100000759064_100015370543 [0,2,0,1,0,0|0,0,1]=4 46789 B12R1.1996 CC/C=C\CCOC1(CCC1)C 7a_100000759064_100015370543 [0,2,0,1,0,0|0,0,1]=4 46790 B12R1.1996 CC/C=C\COCC1(CCC1)C 34a_100016268518_100000726658 [0,2,0,1,0,0|0,0,1]=4 46791 B12R1.1996 CC1(CCC1)CNCCCCF 2230a_100000706607_100000729493 [0,2,0,1,0,0|1,0,0]=4 46792 B12R1.1996 CC1(CCC1)CNCCCCO 2230a_100000706607_100000210776 [0,2,0,1,0,0|1,0,0]=4 46793 B12R1.1996 CC1(CCC1)CNCCCCO 2230a_100000750430_100000726658 [0,2,0,1,0,0|1,0,0]=4 46794 B12R1.1996 CC1(CCC1)CNCCCCO 34a_100000750430_100000726658 [0,2,0,1,0,0|1,0,0]=4 46795 B12R1.1996 CC1(CCC1)COCCCCBr 34a_100011216708_100000726658 [0,2,0,1,0,0|0,0,0]=3 46796 B12R1.1996 CC1(CCC1)COCCCCCl 34a_100000210776_100000726658 [0,2,0,1,0,0|0,0,0]=3 46797 B12R1.1996 CC1(CCC1)COCCCCCl 7a_100000210776_100000726658 [0,2,0,1,0,0|0,0,0]=3 46798 B12R1.1996 CC1(CCC1)COCCCCF 34a_100011995726_100000726658 [0,2,0,1,0,0|0,0,0]=3 46799 B12R1.1996 CC1(CCC1)COCCCCF 7a_100011995726_100000726658 [0,2,0,1,0,0|0,0,0]=3 46800 B12R1.1996 CC1(CCC1)COCCCCI 34a_200012148704_100000726658 [0,2,0,1,0,0|0,0,0]=3 46801 B12R1.1996 CC1(CCC1)COCCCCN 34a_100000750430_100000726658 [0,2,0,1,0,0|0,0,0]=3 46802 B12R1.1996 CC1(CCC1)CSCCCCF 62a_100000726658_100000729493 [0,2,0,1,0,0|0,1,0]=4 46803 B12R1.1996 CC1(CCC1)CSCCCCF 62a_100000729493_100000726658 [0,2,0,1,0,0|0,1,0]=4 46804 B12R1.1996 CC1(CCC1)CSCCCCO 62a_100000210776_100000726658 [0,2,0,1,0,0|0,1,0]=4 46805 B12R1.1996 CC1(CCC1)CSCCCCO 62a_100000726658_100000210776 [0,2,0,1,0,0|0,1,0]=4 46806 B12R1.1996 CC1(CCC1)NCCCCCF 2230a_100000692455_100000729378 [0,2,0,1,0,0|1,0,0]=4 46807 B12R1.1996 CC1(CCC1)NCCCCCF 34a_100000692455_100000729378 [0,2,0,1,0,0|1,0,0]=4 46808 B12R1.1996 CC1(CCC1)NCCCCCO 2230a_100000692455_100000746330 [0,2,0,1,0,0|1,0,0]=4 46809 B12R1.1996 CC1(CCC1)NCCCCCO 34a_100000692455_100000746330 [0,2,0,1,0,0|1,0,0]=4 46810 B12R1.1996 CC1(CCC1)OCCCCC#N 7a_100000759064_100000211819 [0,2,0,1,0,0|0,0,1]=4 46811 B12R1.1996 CC1(CCC1)OCCCCC=O 7a_100000759064_100000139335 [0,2,0,1,0,0|0,0,1]=4 46812 B12R1.1996 CC1(CCC1)OCCCCCF 34a_100000759064_100000729378 [0,2,0,1,0,0|0,0,0]=3 46813 B12R1.1996 CC1(CCC1)OCCCCCF 7a_100000759064_100000729378 [0,2,0,1,0,0|0,0,0]=3 46814 B12R1.1996 CC1(CCC1)OCCCCCO 34a_100000759064_100000746330 [0,2,0,1,0,0|0,0,0]=3 46815 B12R1.1996 CC1(CCC1)OCCCCCO 7a_100000759064_100000746330 [0,2,0,1,0,0|0,0,0]=3 46816 B12R1.1996 CC1(CCC1)OCCOCCO 34a_100000759064_100000692535 [0,2,0,1,0,0|1,0,0]=4 46817 B12R1.1996 CC1(CCC1)OCCOCCO 7a_100000759064_100011215305 [0,2,0,1,0,0|1,0,0]=4 46818 B12R1.1996 CC1(COC1)COCCCCBr 34a_100011216708_100009817586 [0,2,0,1,0,0|1,0,0]=4 46819 B12R1.1996 CC1(COC1)COCCCCCl 34a_100000210776_100009817586 [0,2,0,1,0,0|1,0,0]=4 46820 B12R1.1996 CC1(COC1)COCCCCCl 7a_100000210776_100009817586 [0,2,0,1,0,0|1,0,0]=4 46821 B12R1.1996 CC1(COC1)COCCCCF 34a_100011995726_100009817586 [0,2,0,1,0,0|1,0,0]=4 46822 B12R1.1996 CC1(COC1)COCCCCF 7a_100011995726_100009817586 [0,2,0,1,0,0|1,0,0]=4 46823 B12R1.1996 CC1(COC1)COCCCCI 34a_200012148704_100009817586 [0,2,0,1,0,0|1,0,0]=4 46824 B12R1.1996 CC1(COC1)COCCCCN 34a_100000750430_100009817586 [0,2,0,1,0,0|1,0,0]=4 46825 B12R1.1996 CC1(CSC1)COCCCCF 34a_100000732658_100000729493 [0,2,0,1,0,0|1,0,0]=4 46826 B12R1.1996 CC1(CSC1)COCCCCF 7a_100000732658_100000729493 [0,2,0,1,0,0|1,0,0]=4 46827 B12R1.1996 CC1(CSC1)COCCCCO 34a_100000732658_100011216708 [0,2,0,1,0,0|1,0,0]=4 46828 B12R1.1996 CC1(CSC1)COCCCCO 7a_100000732658_100000210776 [0,2,0,1,0,0|1,0,0]=4 46829 B12R1.1996 CC1(CSC1)OCCCCCF 7a_100016018533_100000729378 [0,2,0,1,0,0|1,0,0]=4 46830 B12R1.1996 CC1(CSC1)OCCCCCO 7a_100016018533_100000746330 [0,2,0,1,0,0|1,0,0]=4 46831 B12R1.1996 CCC#CCOCC1(CCC1)C 34a_100000032950_100000726658 [0,2,0,1,0,0|0,0,1]=4 46832 B12R1.1996 CCCCCCNC1(CCC1)C 2230a_100000692455_100000210314 [0,2,0,1,0,0|1,0,0]=4 46833 B12R1.1996 CCCCCCNC1(CCC1)C 34a_100000692455_100000210314 [0,2,0,1,0,0|1,0,0]=4 46834 B12R1.1996 CCCCCCOC1(CCC1)C 34a_100000759064_100000210314 [0,2,0,1,0,0|0,0,0]=3 46835 B12R1.1996 CCCCCCOC1(CCC1)C 7a_100000759064_100000210314 [0,2,0,1,0,0|0,0,0]=3 46836 B12R1.1996 CCCCCCOC1(CSC1)C 7a_100016018533_100000210314 [0,2,0,1,0,0|1,0,0]=4 46837 B12R1.1996 CCCCCNCC1(CCC1)C 2230a_100000209983_100000726658 [0,2,0,1,0,0|1,0,0]=4 46838 B12R1.1996 CCCCCNCC1(CCC1)C 2230a_100000706607_100000210326 [0,2,0,1,0,0|1,0,0]=4 46839 B12R1.1996 CCCCCNCC1(CCC1)O 2230a_100000752638_100000210326 [0,2,0,1,0,0|1,0,0]=4 46840 B12R1.1996 CCCCCNCC1(COC1)C 2230a_100000209983_100000066812 [0,2,0,1,0,0|1,0,0]=4 46841 B12R1.1996 CCCCCNCC1(COC1)C 2230a_100020631278_100000210326 [0,2,0,1,0,0|1,0,0]=4 46842 B12R1.1996 CCCCCNCC1(COC1)C 269862a_100000209983_100000050806 [0,2,0,1,0,0|1,0,0]=4 46843 B12R1.1996 CCCCCNCC1(COC1)O 2230a_100010264505_100000210326 [0,2,0,1,0,0|1,0,0]=4 46844 B12R1.1996 CCCCCOCC1(CCC1)C 34a_100000210253_100000726658 [0,2,0,1,0,0|0,0,0]=3 46845 B12R1.1996 CCCCCOCC1(CCC1)C 7a_100000210253_100000726658 [0,2,0,1,0,0|0,0,0]=3 46846 B12R1.1996 CCCCCOCC1(COC1)C 34a_100000210253_100009817586 [0,2,0,1,0,0|0,0,0]=3 46847 B12R1.1996 CCCCCOCC1(COC1)C 7a_100000210253_100009817586 [0,2,0,1,0,0|0,0,0]=3 46848 B12R1.1996 CCCCCOCC1(CSC1)C 34a_100000732658_100000718602 [0,2,0,1,0,0|0,0,0]=3 46849 B12R1.1996 CCCCCOCC1(CSC1)C 7a_100000732658_100000210326 [0,2,0,1,0,0|0,0,0]=3 46850 B12R1.1996 CCCCCSCC1(CCC1)C 62a_100000210326_100000726658 [0,2,0,1,0,0|0,1,0]=4 46851 B12R1.1996 CCCCCSCC1(CCC1)C 62a_100000726658_100000210326 [0,2,0,1,0,0|0,1,0]=4 46852 B12R1.1996 CCCCCSCC1(COC1)C 62a_100000210326_100009817586 [0,2,0,1,0,0|0,1,0]=4 46853 B12R1.1996 CCCCCSCC1(COC1)C 62a_100009817586_100000210326 [0,2,0,1,0,0|0,1,0]=4 46854 B12R1.1996 CCCCOCNC1(CCC1)C 2230a_100000692455_100011995733 [0,2,0,1,0,0|0,0,0]=3 46855 B12R1.1996 CCCCOCNC1(CCC1)C 34a_100000692455_100011995733 [0,2,0,1,0,0|0,0,0]=3 46856 B12R1.1996 CCCCOCNC1(COC1)C 2230a_100000732644_100011995733 [0,2,0,1,0,0|1,0,0]=4 46857 B12R1.1996 CCCCOCOC1(CCC1)C 34a_100000759064_100011995733 [0,2,0,1,0,0|0,0,0]=3 46858 B12R1.1996 CCCOCCNC1(CCC1)C 2230a_100000692455_100011215938 [0,2,0,1,0,0|1,0,0]=4 46859 B12R1.1996 CCCOCCNC1(CCC1)C 34a_100000692455_100011215938 [0,2,0,1,0,0|1,0,0]=4 46860 B12R1.1996 CCCOCCOC1(CCC1)C 34a_100000759064_100011215938 [0,2,0,1,0,0|0,0,0]=3 46861 B12R1.1996 CCCOCCOC1(CCC1)C 7a_100000759064_100011215938 [0,2,0,1,0,0|0,0,0]=3 46862 B12R1.1996 CCCOCCOC1(CSC1)C 7a_100016018533_100011215938 [0,2,0,1,0,0|1,0,0]=4 46863 B12R1.1996 CCOCCCNC1(CCC1)C 2230a_100000692455_100012232248 [0,2,0,1,0,0|1,0,0]=4 46864 B12R1.1996 CCOCCCNC1(CCC1)C 34a_100000692455_100012232248 [0,2,0,1,0,0|1,0,0]=4 46865 B12R1.1996 CCOCCCOC1(CCC1)C 34a_100000759064_100012232248 [0,2,0,1,0,0|0,0,0]=3 46866 B12R1.1996 CCOCCCOC1(CCC1)C 7a_100000759064_100012232248 [0,2,0,1,0,0|0,0,0]=3 46867 B12R1.1996 CCOCCCOC1(CSC1)C 7a_100016018533_100012232248 [0,2,0,1,0,0|1,0,0]=4 46868 B12R1.1996 CCOCCNCC1(CCC1)C 2230a_100000706607_100011215890 [0,2,0,1,0,0|1,0,0]=4 46869 B12R1.1996 CCOCCNCC1(CCC1)C 2230a_102516460346_100000726658 [0,2,0,1,0,0|1,0,0]=4 46870 B12R1.1996 CCOCCNCC1(CCC1)C 34a_102516460346_100000726658 [0,2,0,1,0,0|1,0,0]=4 46871 B12R1.1996 CCOCCNCC1(CCC1)O 2230a_100000752638_100011215890 [0,2,0,1,0,0|1,0,0]=4 46872 B12R1.1996 CCOCCOCC1(CCC1)C 34a_100000210136_100000726658 [0,2,0,1,0,0|0,0,0]=3 46873 B12R1.1996 CCOCCOCC1(CCC1)C 7a_100000210136_100000726658 [0,2,0,1,0,0|0,0,0]=3 46874 B12R1.1996 CCOCCOCC1(COC1)C 34a_100000210136_100009817586 [0,2,0,1,0,0|1,0,0]=4 46875 B12R1.1996 CCOCCOCC1(COC1)C 7a_100000210136_100009817586 [0,2,0,1,0,0|1,0,0]=4 46876 B12R1.1996 CCOCCOCC1(CSC1)C 34a_100000732658_100000210147 [0,2,0,1,0,0|1,0,0]=4 46877 B12R1.1996 CCOCCOCC1(CSC1)C 7a_100000732658_100011215890 [0,2,0,1,0,0|1,0,0]=4 46878 B12R1.1996 CCOCCSCC1(CCC1)C 62a_100000210147_100000726658 [0,2,0,1,0,0|0,1,0]=4 46879 B12R1.1996 CCOCCSCC1(CCC1)C 62a_100000726658_100011215890 [0,2,0,1,0,0|0,1,0]=4 46880 B12R1.1996 CCSCCNCC1(CCC1)C 2230a_100000106463_100000726658 [0,2,0,1,0,0|1,0,0]=4 46881 B12R1.1996 CCSCCNCC1(CCC1)C 2230a_100000706607_100000757381 [0,2,0,1,0,0|1,0,0]=4 46882 B12R1.1996 CCSCCNCC1(CCC1)O 2230a_100000752638_100000757381 [0,2,0,1,0,0|1,0,0]=4 46883 B12R1.1996 CCSCCOCC1(CCC1)C 34a_100000212035_100000726658 [0,2,0,1,0,0|0,0,0]=3 46884 B12R1.1996 CCSCCOCC1(CCC1)C 7a_100000212035_100000726658 [0,2,0,1,0,0|0,0,0]=3 46885 B12R1.1996 CCSCCOCC1(COC1)C 34a_100000212035_100009817586 [0,2,0,1,0,0|1,0,0]=4 46886 B12R1.1996 CCSCCOCC1(COC1)C 7a_100000212035_100009817586 [0,2,0,1,0,0|1,0,0]=4 46887 B12R1.1996 CCSCCOCC1(CSC1)C 34a_100000732658_100000757381 [0,2,0,1,0,0|1,0,0]=4 46888 B12R1.1996 CCSCCOCC1(CSC1)C 7a_100000732658_100000757381 [0,2,0,1,0,0|1,0,0]=4 46889 B12R1.1996 CCSCCSCC1(CCC1)C 62a_100000726658_100000757381 [0,2,0,1,0,0|0,1,0]=4 46890 B12R1.1996 CCSCCSCC1(CCC1)C 62a_100000757381_100000726658 [0,2,0,1,0,0|0,1,0]=4 46891 B12R1.1996 CNCCCOCC1(CCC1)C 34a_100000213112_100000726658 [0,2,0,1,0,0|0,0,0]=3 46892 B12R1.1996 CNCCCOCC1(COC1)C 34a_100000213112_100009817586 [0,2,0,1,0,0|1,0,0]=4 46893 B12R1.1996 COCCCCNC1(CCC1)C 2230a_100000692455_100000730899 [0,2,0,1,0,0|1,0,0]=4 46894 B12R1.1996 COCCCCNC1(CCC1)C 34a_100000692455_100000755781 [0,2,0,1,0,0|1,0,0]=4 46895 B12R1.1996 COCCCCOC1(CCC1)C 34a_100000759064_100000755781 [0,2,0,1,0,0|0,0,0]=3 46896 B12R1.1996 COCCCCOC1(CCC1)C 7a_100000759064_100000730899 [0,2,0,1,0,0|0,0,0]=3 46897 B12R1.1996 COCCCCOC1(CSC1)C 7a_100016018533_100000730899 [0,2,0,1,0,0|1,0,0]=4 46898 B12R1.1996 COCCCNCC1(CCC1)C 2230a_100000706607_100000740836 [0,2,0,1,0,0|1,0,0]=4 46899 B12R1.1996 COCCCNCC1(CCC1)C 34a_100150723488_100000726658 [0,2,0,1,0,0|1,0,0]=4 46900 B12R1.1996 COCCCNCC1(CCC1)O 2230a_100000752638_100000740836 [0,2,0,1,0,0|1,0,0]=4 46901 B12R1.1996 COCCCOCC1(CCC1)C 34a_100000740835_100000726658 [0,2,0,1,0,0|0,0,0]=3 46902 B12R1.1996 COCCCOCC1(COC1)C 34a_100000740835_100009817586 [0,2,0,1,0,0|1,0,0]=4 46903 B12R1.1996 COCCCOCC1(CSC1)C 34a_100000732658_100000740836 [0,2,0,1,0,0|1,0,0]=4 46904 B12R1.1996 COCCCOCC1(CSC1)C 7a_100000732658_100000740836 [0,2,0,1,0,0|1,0,0]=4 46905 B12R1.1996 COCCCSCC1(CCC1)C 62a_100000709357_100000726658 [0,2,0,1,0,0|0,1,0]=4 46906 B12R1.1996 COCCCSCC1(CCC1)C 62a_100000726658_100000709357 [0,2,0,1,0,0|0,1,0]=4 46907 B12R1.1996 COCCOCNC1(CCC1)C 2230a_100000692455_100000231047 [0,2,0,1,0,0|1,0,0]=4 46908 B12R1.1996 CSCCCNCC1(CCC1)C 2230a_100000749238_100000726658 [0,2,0,1,0,0|1,0,0]=4 46909 B12R1.1996 CSCCCOCC1(CCC1)C 34a_100000690336_100000726658 [0,2,0,1,0,0|0,0,0]=3 46910 B12R1.1996 CSCCCOCC1(CCC1)C 7a_100000690336_100000726658 [0,2,0,1,0,0|0,0,0]=3 46911 B12R1.1996 CSCCCOCC1(COC1)C 34a_100000690336_100009817586 [0,2,0,1,0,0|1,0,0]=4 46912 B12R1.1996 CSCCCOCC1(COC1)C 7a_100000690336_100009817586 [0,2,0,1,0,0|1,0,0]=4 46913 B12R1.1996 OC1(CCC1)CNCCCCF 2230a_100000752638_100000729493 [0,2,0,1,0,0|1,0,0]=4 46914 B12R1.1996 OCCCCNCC1(CCC1)O 2230a_100000752638_100000210776 [0,2,0,1,0,0|1,0,0]=4 46915 B12R1.31 CC1CCC(C1)OC(C)CCO 34a_100000698185_100009893172 [0,2,0,1,0,0|1,0,0]=4 46916 B12R1.31 CCCC(C)CN1CCC(C1)O 2230a_100011215560_100011216630 [0,2,0,1,0,0|1,0,0]=4 46917 B12R1.31 CCCC(C)CN1CCC(C1)O 269982a_100011215560_100011216630 [0,2,0,1,0,0|1,0,0]=4 46918 B12R1.31 CCCC(C)CN1CCC(C1)O 270004a_100011215560_100000243154 [0,2,0,1,0,0|1,0,0]=4 46919 B12R1.31 CCCC(C)CN1CC[C@@H](C1)F 2230a_100015203821_100011216630 [0,2,0,1,0,0|1,0,0]=4 46920 B12R1.31 CCCC(C)CN1CC[C@@H](C1)F 269982a_100015203821_100011216630 [0,2,0,1,0,0|1,0,0]=4 46921 B12R1.31 CCCC(C)CN1CC[C@@H](C1)F 270004a_100015203821_100000243154 [0,2,0,1,0,0|1,0,0]=4 46922 B12R1.31 CCCC(C)CN1CC[C@@H](C1)F 34a_100015203821_100011216630 [0,2,0,1,0,0|1,0,0]=4 46923 B12R1.31 CCCC(C)CN1CC[C@H](C1)C 2230a_100016987628_100011216630 [0,2,0,1,0,0|1,0,0]=4 46924 B12R1.31 CCCC(C)CN1CC[C@H](C1)C 269982a_100016987628_100011216630 [0,2,0,1,0,0|1,0,0]=4 46925 B12R1.31 CCCC(C)CN1CC[C@H](C1)C 270004a_100016987628_100000243154 [0,2,0,1,0,0|1,0,0]=4 46926 B12R1.31 CCCC(C)CN1CC[C@H](C1)C 34a_100016987628_100011216630 [0,2,0,1,0,0|1,0,0]=4 46927 B12R1.31 CCCC(C)NC1CCC(C1)C 270004a_100000741246_100011215218 [0,2,0,1,0,0|1,0,0]=4 46928 B12R1.31 CCCC(C)NC1CCC(C1)O 270004a_100000741246_100012614533 [0,2,0,1,0,0|1,0,0]=4 46929 B12R1.31 CCCC(C)N[C@H]1CC[C@H](C1)O 2230a_100015195300_100000766640 [0,2,0,1,0,0|1,0,0]=4 46930 B12R1.31 CCCC(C)N[C@H]1CC[C@H](C1)O 270004a_100015195300_100000211909 [0,2,0,1,0,0|1,0,0]=4 46931 B12R1.31 CCCC(C)OC1CCC(=O)C1 34a_100012614533_100000766640 [0,2,0,1,0,0|0,0,1]=4 46932 B12R1.31 CCCC(C)OC1CCC(C1)C 34a_100000698185_100000766640 [0,2,0,1,0,0|0,0,0]=3 46933 B12R1.31 CCCC(C)OC1CCN(C1)C 7a_100000764384_200012183744 [0,2,0,1,0,0|1,0,0]=4 46934 B12R1.31 COCC(C)OC1CCC(C1)C 34a_100000698185_100000765312 [0,2,0,1,0,0|1,0,0]=4 46935 B12R1.53 C=CCCC(C)OC1CCCC1 34a_100000765329_100000179811 [0,2,0,1,0,0|0,0,1]=4 46936 B12R1.53 C=CCCC(C)OC1CCCC1 7a_100000765329_100000179811 [0,2,0,1,0,0|0,0,1]=4 46937 B12R1.53 CC(CCCCl)OC1CCCC1 34a_200000718107_100000179811 [0,2,0,1,0,0|0,0,0]=3 46938 B12R1.53 CC(CCCCl)OC1CCCC1 7a_200000718107_100000179811 [0,2,0,1,0,0|0,0,0]=3 46939 B12R1.53 CC(CCCCl)OC1CCOC1 34a_200000718107_100000690089 [0,2,0,1,0,0|1,0,0]=4 46940 B12R1.53 CC(CCCCl)OC1CCOC1 7a_200000718107_100000731011 [0,2,0,1,0,0|1,0,0]=4 46941 B12R1.53 CCC#CC(C)OC1CCCC1 34a_100000033903_100000179811 [0,2,0,1,0,0|0,0,1]=4 46942 B12R1.53 CCC#CC(C)OC1CCCC1 7a_100000033903_100000179811 [0,2,0,1,0,0|0,0,1]=4 46943 B12R1.53 CCCCC(=O)CC1CCCC1 1458a_100000210183_100000740388 [0,2,0,1,0,0|1,0,0]=4 46944 B12R1.53 CCCCC(=O)CC1CCCC1 1458a_100000210891_100000210211 [0,2,0,1,0,0|1,0,0]=4 46945 B12R1.53 CCCCC(=O)CC1CCCO1 1458a_100000210183_100000203698 [0,2,0,1,0,0|1,0,0]=4 46946 B12R1.53 CCCCC(=O)CC1CCOC1 1458a_100000210183_100000702531 [0,2,0,1,0,0|1,0,0]=4 46947 B12R1.53 CCCCC(=O)CC1CCOC1 1458a_100011218419_100000210211 [0,2,0,1,0,0|1,0,0]=4 46948 B12R1.53 CCCCC(=O)CN1CCCC1 1458a_100000740243_100000210211 [0,2,0,1,0,0|1,0,0]=4 46949 B12R1.53 CCCCC(=O)NC1CCCC1 11a_100000211070_100000210183 [0,2,0,1,0,0|1,0,0]=4 46950 B12R1.53 CCCCC(=O)NC1CCCC1 1626a_100000211070_100000210183 [0,2,0,1,0,0|1,0,0]=4 46951 B12R1.53 CCCCC(=O)NC1CCCC1 240690a_100000211070_100000210183 [0,2,0,1,0,0|1,0,0]=4 46952 B12R1.53 CCCCC(=O)NC1CCCC1 527a_100000211070_100000210183 [0,2,0,1,0,0|1,0,0]=4 46953 B12R1.53 CCCCC(C)NC1CCCC1 2230a_100000126638_100000179811 [0,2,0,1,0,0|1,0,0]=4 46954 B12R1.53 CCCCC(C)NC1CCCC1 2230a_100000211070_200011215066 [0,2,0,1,0,0|1,0,0]=4 46955 B12R1.53 CCCCC(C)NC1CCCC1 270004a_100000126638_100000210133 [0,2,0,1,0,0|1,0,0]=4 46956 B12R1.53 CCCCC(C)NC1CCCC1 270004a_100000211070_100000210087 [0,2,0,1,0,0|1,0,0]=4 46957 B12R1.53 CCCCC(C)NC1CCCC1 34a_100000211070_200011215066 [0,2,0,1,0,0|1,0,0]=4 46958 B12R1.53 CCCCC(C)NC1CCOC1 2230a_100000126638_100000731011 [0,2,0,1,0,0|1,0,0]=4 46959 B12R1.53 CCCCC(C)NC1CCOC1 270004a_100000126638_100000752484 [0,2,0,1,0,0|1,0,0]=4 46960 B12R1.53 CCCCC(C)NC1CCSC1 270004a_100000126638_100000212027 [0,2,0,1,0,0|1,0,0]=4 46961 B12R1.53 CCCCC(C)N[C@@H]1CCOC1 2230a_200015188469_200011215066 [0,2,0,1,0,0|1,0,0]=4 46962 B12R1.53 CCCCC(C)N[C@@H]1CCOC1 270004a_200015188469_100000210087 [0,2,0,1,0,0|1,0,0]=4 46963 B12R1.53 CCCCC(C)N[C@H]1CCOC1 2230a_100015188467_200011215066 [0,2,0,1,0,0|1,0,0]=4 46964 B12R1.53 CCCCC(C)N[C@H]1CCOC1 270004a_100015188467_100000210087 [0,2,0,1,0,0|1,0,0]=4 46965 B12R1.53 CCCCC(C)N[C@H]1CCOC1 34a_100015188467_200011215066 [0,2,0,1,0,0|1,0,0]=4 46966 B12R1.53 CCCCC(C)OC1CCCC1 34a_100000210269_200011215066 [0,2,0,1,0,0|0,0,0]=3 46967 B12R1.53 CCCCC(C)OC1CCCC1 34a_100000687866_100000179811 [0,2,0,1,0,0|0,0,0]=3 46968 B12R1.53 CCCCC(C)OC1CCCC1 7a_100000210269_200011215066 [0,2,0,1,0,0|0,0,0]=3 46969 B12R1.53 CCCCC(C)OC1CCCC1 7a_100000687866_100000179811 [0,2,0,1,0,0|0,0,0]=3 46970 B12R1.53 CCCCC(C)OC1CCCO1 34a_100000085407_200011215066 [0,2,0,1,0,0|0,0,0]=3 46971 B12R1.53 CCCCC(C)OC1CCOC1 34a_100000687866_100000690089 [0,2,0,1,0,0|0,0,0]=3 46972 B12R1.53 CCCCC(C)OC1CCOC1 7a_100000687866_100000731011 [0,2,0,1,0,0|0,0,0]=3 46973 B12R1.53 CCCCC(C)OC1CCSC1 7a_100011232664_200011215066 [0,2,0,1,0,0|0,0,0]=3 46974 B12R1.53 CCCCC(C)O[C@H]1CCOC1 34a_100000717292_200011215066 [0,2,0,1,0,0|0,0,0]=3 46975 B12R1.53 CCCCC(C)SC1CCCC1 62a_100011217020_200011215066 [0,2,0,1,0,0|0,1,0]=4 46976 B12R1.53 CCCCC(C)SC1CCCC1 62a_200011215066_100000179811 [0,2,0,1,0,0|0,1,0]=4 46977 B12R1.53 CCCCC(C)SC1CCOC1 62a_200011215066_100000690089 [0,2,0,1,0,0|0,1,0]=4 46978 B12R1.53 CCCCN(C)CC1CCCC1 2230a_100000207549_100000740388 [0,2,0,1,0,0|1,0,0]=4 46979 B12R1.53 CCCCN(C)CC1CCCC1 269982a_100000207549_100000740388 [0,2,0,1,0,0|1,0,0]=4 46980 B12R1.53 CCCCN(C)CC1CCCO1 2230a_100000207549_100000203698 [0,2,0,1,0,0|1,0,0]=4 46981 B12R1.53 CCCCN(C)CC1CCCO1 2230a_100102946541_100000210211 [0,2,0,1,0,0|1,0,0]=4 46982 B12R1.53 CCCCN(C)CC1CCCO1 269982a_100000207549_100000183445 [0,2,0,1,0,0|1,0,0]=4 46983 B12R1.53 CCCCN(C)CC1CCCO1 269982a_100102946541_100000210211 [0,2,0,1,0,0|1,0,0]=4 46984 B12R1.53 CCCCN(C)CC1CCCO1 34a_100102946541_100000210210 [0,2,0,1,0,0|1,0,0]=4 46985 B12R1.53 CCCCN(C)CC1CCOC1 2230a_100000207549_100000702531 [0,2,0,1,0,0|1,0,0]=4 46986 B12R1.53 CCCCN(C)CC1CCOC1 2230a_100000684583_100000210211 [0,2,0,1,0,0|1,0,0]=4 46987 B12R1.53 CCCCN(C)CC1CCOC1 269982a_100000207549_100000702531 [0,2,0,1,0,0|1,0,0]=4 46988 B12R1.53 CCCCN(C)CC1CCOC1 269982a_100000684583_100000210211 [0,2,0,1,0,0|1,0,0]=4 46989 B12R1.53 CCCCN(C)CC1CCOC1 34a_100000684583_100000210210 [0,2,0,1,0,0|1,0,0]=4 46990 B12R1.53 CCCNC(C)CC1CCCC1 270004a_100020643023_100000692464 [0,2,0,1,0,0|1,0,0]=4 46991 B12R1.53 CCOCC(C)CN1CCCC1 7a_200011934648_100000210202 [0,2,0,1,0,0|1,0,0]=4 46992 B12R1.53 CCOCC(C)OC1CCCC1 34a_100000718985_100000179811 [0,2,0,1,0,0|0,0,0]=3 46993 B12R1.53 CCOCC(C)OC1CCCC1 7a_100000718985_100000179811 [0,2,0,1,0,0|0,0,0]=3 46994 B12R1.53 CCOCC(C)OC1CCOC1 34a_100000718985_100000690089 [0,2,0,1,0,0|1,0,0]=4 46995 B12R1.53 CCOCC(C)OC1CCOC1 7a_100000718985_100000731011 [0,2,0,1,0,0|1,0,0]=4 46996 B12R1.53 CCSCC(C)NC1CCCC1 270004a_100000211070_200011216171 [0,2,0,1,0,0|1,0,0]=4 46997 B12R1.53 COCCC(C)NC1CCCC1 270004a_100000211070_100000742357 [0,2,0,1,0,0|1,0,0]=4 46998 B12R1.53 CSCCC(C)NC1CCCC1 270004a_100000211070_100011217047 [0,2,0,1,0,0|1,0,0]=4 46999 B12R1.321 CCCCN1CCCCC(C1)O 2230a_100025706797_100000210211 [0,2,0,1,0,0|1,0,0]=4 47000 B12R1.321 CCCCN1CCCCC(C1)O 269982a_100025706797_100000210211 [0,2,0,1,0,0|1,0,0]=4 47001 B12R1.321 CCCCN1CCOC[C@@H](C1)O 2230a_100016073750_100000210211 [0,2,0,1,0,0|1,0,0]=4 47002 B12R1.321 CCCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000210211 [0,2,0,1,0,0|1,0,0]=4 47003 B12R1.460 CCCCC(=O)C1CCCC1C 1458a_100000690547_100000210211 [0,2,0,1,0,0|1,0,0]=4 47004 B12R1.460 CCCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210183 [0,2,0,1,0,0|1,0,0]=4 47005 B12R1.460 CCCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210183 [0,2,0,1,0,0|1,0,0]=4 47006 B12R1.460 CCCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210183 [0,2,0,1,0,0|1,0,0]=4 47007 B12R1.460 CCCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210183 [0,2,0,1,0,0|1,0,0]=4 47008 B12R1.460 CCCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210183 [0,2,0,1,0,0|1,0,0]=4 47009 B12R1.460 CCCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210211 [0,2,0,1,0,0|1,0,0]=4 47010 B12R1.460 CCCCC(C)N1CCC[C@@H]1C 2230a_100020605311_200011215066 [0,2,0,1,0,0|1,0,0]=4 47011 B12R1.460 CCCCC(C)N1CCC[C@@H]1C 269982a_100020605311_200011215066 [0,2,0,1,0,0|1,0,0]=4 47012 B12R1.460 CCCCC(C)N1CCC[C@@H]1C 270004a_100020605311_100000210087 [0,2,0,1,0,0|1,0,0]=4 47013 B12R1.460 CCCCC(C)N1CCC[C@H]1C 2230a_100015189458_200011215066 [0,2,0,1,0,0|1,0,0]=4 47014 B12R1.460 CCCCC(C)N1CCC[C@H]1C 269982a_100015189458_200011215066 [0,2,0,1,0,0|1,0,0]=4 47015 B12R1.460 CCCCC(C)N1CCC[C@H]1C 270004a_100015189458_100000210087 [0,2,0,1,0,0|1,0,0]=4 47016 B12R1.460 CCCCC(C)N1CCC[C@H]1C 34a_100015189458_200011215066 [0,2,0,1,0,0|1,0,0]=4 47017 B12R1.460 CCCCC(C)N1CCSC1C 2230a_200011216479_200011215066 [0,2,0,1,0,0|1,0,0]=4 47018 B12R1.460 CCCCC(C)N1CCSC1C 269982a_200011216479_200011215066 [0,2,0,1,0,0|1,0,0]=4 47019 B12R1.460 CCCCC(C)N1CCSC1C 270004a_200011216479_100000210087 [0,2,0,1,0,0|1,0,0]=4 47020 B12R1.460 CCCCC(C)N1CCSC1C 34a_200011216479_200011215066 [0,2,0,1,0,0|1,0,0]=4 47021 B12R1.460 CCCCN(C)C1CCOC1C 270004a_100000207549_100000691750 [0,2,0,1,0,0|1,0,0]=4 47022 B12R1.460 CCCCN(C)[C@@H]1CCC[C@H]1O 269982a_100000207549_200016002552 [0,2,0,1,0,0|1,0,0]=4 47023 B12R1.460 CCSCC(C)N1CCC[C@@H]1C 270004a_100020605311_200011216171 [0,2,0,1,0,0|1,0,0]=4 47024 B12R1.460 CCSCC(C)N1CCC[C@H]1C 270004a_100015189458_200011216171 [0,2,0,1,0,0|1,0,0]=4 47025 B12R1.460 COCCC(C)N1CCC[C@@H]1C 270004a_100020605311_100000742357 [0,2,0,1,0,0|1,0,0]=4 47026 B12R1.460 COCCC(C)N1CCC[C@H]1C 270004a_100015189458_100000742357 [0,2,0,1,0,0|1,0,0]=4 47027 B12R1.460 CSCCC(C)N1CCC[C@@H]1C 270004a_100020605311_100011217047 [0,2,0,1,0,0|1,0,0]=4 47028 B12R1.460 CSCCC(C)N1CCC[C@H]1C 270004a_100015189458_100011217047 [0,2,0,1,0,0|1,0,0]=4 47029 B12R1.462 CCCCC(C)NC1CC(C1)F 2230a_100016993743_200011215066 [0,2,0,1,0,0|1,0,0]=4 47030 B12R1.462 CCCCC(C)NC1CC(C1)F 270004a_100016993743_100000210087 [0,2,0,1,0,0|1,0,0]=4 47031 B12R1.462 CCCCC(C)N[C@H]1C[C@@H](C1)O 2230a_100020629032_200011215066 [0,2,0,1,0,0|1,0,0]=4 47032 B12R1.462 CCCCC(C)N[C@H]1C[C@@H](C1)O 270004a_100020629032_100000210087 [0,2,0,1,0,0|1,0,0]=4 47033 B12R1.519 CC(CCO)OC(C)C1CCC1 34a_100000766398_100009893172 [0,2,0,1,0,0|1,0,0]=4 47034 B12R1.519 CC(CCO)OC(C)C1CCC1 7a_100000766398_100009893172 [0,2,0,1,0,0|1,0,0]=4 47035 B12R1.519 CCCC(C)CC(=O)C1CCC1 1458a_100000209988_100011216630 [0,2,0,1,0,0|1,0,0]=4 47036 B12R1.519 CCCC(C)CC(=O)C1CCC1 1458a_100000748435_100000749161 [0,2,0,1,0,0|1,0,0]=4 47037 B12R1.519 CCCC(C)CN(C)C1CCC1 2230a_100000758072_100011216630 [0,2,0,1,0,0|1,0,0]=4 47038 B12R1.519 CCCC(C)CN(C)C1CCC1 269982a_100000758072_100011216630 [0,2,0,1,0,0|1,0,0]=4 47039 B12R1.519 CCCC(C)CN(C)C1CCC1 270004a_100000758072_100000243154 [0,2,0,1,0,0|1,0,0]=4 47040 B12R1.519 CCCC(C)CN(C)C1CCC1 34a_100000758072_100011216630 [0,2,0,1,0,0|1,0,0]=4 47041 B12R1.519 CCCC(C)NC(C)C1CCC1 2230a_100016994624_100000766640 [0,2,0,1,0,0|1,0,0]=4 47042 B12R1.519 CCCC(C)NC(C)C1CCC1 269862a_100000741246_100000760154 [0,2,0,1,0,0|1,0,0]=4 47043 B12R1.519 CCCC(C)NC(C)C1CCC1 270004a_100016994624_100000211909 [0,2,0,1,0,0|1,0,0]=4 47044 B12R1.519 CCCC(C)NC(C)C1CCC1 34a_100016994624_100000766640 [0,2,0,1,0,0|1,0,0]=4 47045 B12R1.519 CCCC(C)OC(C)C1CCC1 34a_100000766398_100000766640 [0,2,0,1,0,0|0,0,0]=3 47046 B12R1.519 CCCC(C)OC(C)C1CCC1 7a_100000766398_100000766640 [0,2,0,1,0,0|0,0,0]=3 47047 B12R1.519 COCC(C)OC(C)C1CCC1 34a_100000766398_100000765312 [0,2,0,1,0,0|1,0,0]=4 47048 B12R1.519 COCC(C)OC(C)C1CCC1 7a_100000766398_100000765312 [0,2,0,1,0,0|1,0,0]=4 47049 B12R1.521 CCCC(C)CC(=O)CC1CC1 1458a_100000738066_100011216630 [0,2,0,1,0,0|1,0,0]=4 47050 B12R1.521 CCCC(C)CC(=O)CC1CC1 1458a_100000748435_100000742324 [0,2,0,1,0,0|1,0,0]=4 47051 B12R1.521 CCCC(C)CN(C)CC1CC1 2230a_100000741881_100011216630 [0,2,0,1,0,0|1,0,0]=4 47052 B12R1.521 CCCC(C)CN(C)CC1CC1 269982a_100000741881_100011216630 [0,2,0,1,0,0|1,0,0]=4 47053 B12R1.521 CCCC(C)CN(C)CC1CC1 270004a_100000741881_100000243154 [0,2,0,1,0,0|1,0,0]=4 47054 B12R1.521 CCCC(C)NC(C)CC1CC1 270004a_100000741246_200000686933 [0,2,0,1,0,0|1,0,0]=4 47055 B12R1.841 CCCCC(C)NC(C)C1CC1 2230a_100000700016_200011215066 [0,2,0,1,0,0|1,0,0]=4 47056 B12R1.841 CCCCC(C)NC(C)C1CC1 269862a_100000126638_100000210639 [0,2,0,1,0,0|1,0,0]=4 47057 B12R1.841 CCCCC(C)NC(C)C1CC1 270004a_100000700016_100000210087 [0,2,0,1,0,0|1,0,0]=4 47058 B12R1.841 CCCCC(C)NC(C)C1CC1 34a_100000700016_200011215066 [0,2,0,1,0,0|1,0,0]=4 47059 B12R1.841 CCCCC(C)OC(C)C1CC1 34a_100000744524_200011215066 [0,2,0,1,0,0|0,0,0]=3 47060 B12R1.841 CCCCC(C)OC(C)C1CC1 7a_100000744524_200011215066 [0,2,0,1,0,0|0,0,0]=3 47061 B12R1.1589 CCCC(C)N1C(CCC1C)C 2230a_100000687148_100000766640 [0,2,0,1,0,0|1,0,0]=4 47062 B12R1.1589 CCCC(C)N1C(CCC1C)C 269982a_100000687148_100000766640 [0,2,0,1,0,0|1,0,0]=4 47063 B12R1.1589 CCCC(C)N1C(CCC1C)C 34a_100000687148_100000766640 [0,2,0,1,0,0|1,0,0]=4 47064 B12R1.1618 CC(CCO)OC1(CCCC1)C 34a_100000751722_100009893172 [0,2,0,1,0,0|1,0,0]=4 47065 B12R1.1618 CC(CCO)OC1(CCCC1)C 7a_100000751722_100009893172 [0,2,0,1,0,0|1,0,0]=4 47066 B12R1.1618 CCCC(C)OC1(CCCC1)C 34a_100000751722_100000766640 [0,2,0,1,0,0|0,0,0]=3 47067 B12R1.1618 CCCC(C)OC1(CCCC1)C 7a_100000751722_100000766640 [0,2,0,1,0,0|0,0,0]=3 47068 B12R1.1618 COCC(C)OC1(CCCC1)C 34a_100000751722_100000765312 [0,2,0,1,0,0|1,0,0]=4 47069 B12R1.1618 COCC(C)OC1(CCCC1)C 7a_100000751722_100000765312 [0,2,0,1,0,0|1,0,0]=4 47070 B12R1.1621 CCCC(C)CN1CC(C1)CC 2230a_100015205115_100011216630 [0,2,0,1,0,0|1,0,0]=4 47071 B12R1.1621 CCCC(C)CN1CC(C1)CC 269982a_100015205115_100011216630 [0,2,0,1,0,0|1,0,0]=4 47072 B12R1.1621 CCCC(C)CN1CC(C1)CC 270004a_100015205115_100000243154 [0,2,0,1,0,0|1,0,0]=4 47073 B12R1.2044 CCCCC(=O)CC1(CCC1)C 1458a_100000210183_100000726658 [0,2,0,1,0,0|1,0,0]=4 47074 B12R1.2044 CCCCC(C)NC1(CCC1)C 2230a_100000692455_200011215066 [0,2,0,1,0,0|1,0,0]=4 47075 B12R1.2044 CCCCC(C)NC1(CCC1)C 270004a_100000692455_100000210087 [0,2,0,1,0,0|1,0,0]=4 47076 B12R1.2044 CCCCC(C)NC1(CCC1)C 34a_100000692455_200011215066 [0,2,0,1,0,0|1,0,0]=4 47077 B12R1.2044 CCCCC(C)OC1(CCC1)C 34a_100000759064_200011215066 [0,2,0,1,0,0|0,0,0]=3 47078 B12R1.2044 CCCCC(C)OC1(CCC1)C 7a_100000759064_200011215066 [0,2,0,1,0,0|0,0,0]=3 47079 B12R1.2044 CCCCC(C)OC1(CSC1)C 7a_100016018533_200011215066 [0,2,0,1,0,0|1,0,0]=4 47080 B12R1.2044 CCCCN(C)CC1(CCC1)C 2230a_100000207549_100000726658 [0,2,0,1,0,0|1,0,0]=4 47081 B12R1.2044 CCCCN(C)CC1(CCC1)C 269982a_100000207549_100000726658 [0,2,0,1,0,0|1,0,0]=4 47082 B12R1.3418 CCCC(C)CC(=O)C1CC1C 1458a_100000211227_100011216630 [0,2,0,1,0,0|1,0,0]=4 47083 B12R1.17 CCCC(C)N1CCCC(C1)F 2230a_100000697950_100000766640 [0,2,0,1,0,0|1,0,0]=4 47084 B12R1.17 CCCC(C)N1CCCC(C1)F 269982a_100000697950_100000766640 [0,2,0,1,0,0|1,0,0]=4 47085 B12R1.17 CCCC(C)N1CCCC(C1)F 270004a_100000697950_100000211909 [0,2,0,1,0,0|1,0,0]=4 47086 B12R1.17 CCCC(C)N1CCCC(C1)F 34a_100000697950_100000766640 [0,2,0,1,0,0|1,0,0]=4 47087 B12R1.17 CCCC(C)N1CCCC(C1)O 2230a_100000211013_100000766640 [0,2,0,1,0,0|1,0,0]=4 47088 B12R1.17 CCCC(C)N1CCCC(C1)O 269982a_100000211013_100000766640 [0,2,0,1,0,0|1,0,0]=4 47089 B12R1.17 CCCC(C)N1CCCC(C1)O 270004a_100000211013_100000211909 [0,2,0,1,0,0|1,0,0]=4 47090 B12R1.17 CCCC(C)N1CCC[C@@H](C1)C 2230a_100000717927_100000766640 [0,2,0,1,0,0|1,0,0]=4 47091 B12R1.17 CCCC(C)N1CCC[C@@H](C1)C 269982a_100000717927_100000766640 [0,2,0,1,0,0|1,0,0]=4 47092 B12R1.17 CCCC(C)N1CCC[C@@H](C1)C 270004a_100000717927_100000211909 [0,2,0,1,0,0|1,0,0]=4 47093 B12R1.17 CCCC(C)N1CCC[C@@H](C1)C 34a_100000717927_100000766640 [0,2,0,1,0,0|1,0,0]=4 47094 B12R1.467 C=C1CC(C1)COC(C)CCC 34a_100011011225_100000766640 [0,2,0,1,0,0|0,0,1]=4 47095 B12R1.467 CC(CCO)OCC1CC(C1)Cl 34a_100009874164_100009893172 [0,2,0,1,0,0|1,0,0]=4 47096 B12R1.467 CCCC(C)CNC1CC(C1)F 2230a_100016993743_100011216630 [0,2,0,1,0,0|1,0,0]=4 47097 B12R1.467 CCCC(C)CNC1CC(C1)F 270004a_100016993743_100000243154 [0,2,0,1,0,0|1,0,0]=4 47098 B12R1.467 CCCC(C)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011216630 [0,2,0,1,0,0|1,0,0]=4 47099 B12R1.467 CCCC(C)CN[C@H]1C[C@@H](C1)O 270004a_100020629032_100000243154 [0,2,0,1,0,0|1,0,0]=4 47100 B12R1.467 CCCC(C)NCC1CC(C1)O 2230a_100016992100_100000766640 [0,2,0,1,0,0|1,0,0]=4 47101 B12R1.467 CCCC(C)NCC1CC(C1)O 270004a_100016992100_100000211909 [0,2,0,1,0,0|1,0,0]=4 47102 B12R1.467 CCCC(C)OCC1CC(=O)C1 34a_100000101936_100000766640 [0,2,0,1,0,0|0,0,1]=4 47103 B12R1.467 CCCC(C)OCC1CC(=O)C1 7a_100000764384_100009874392 [0,2,0,1,0,0|0,0,1]=4 47104 B12R1.467 CCCC(C)OCC1CC(C1)Cl 34a_100009874164_100000766640 [0,2,0,1,0,0|0,0,0]=3 47105 B12R1.467 COCC(C)OCC1CC(C1)Cl 34a_100009874164_100000765312 [0,2,0,1,0,0|1,0,0]=4 47106 B12R1.686 CC(CCO)OC[C@H](N)C1CC1 34a_100020623730_100009893172 [0,2,0,1,0,0|1,0,0]=4 47107 B12R1.686 CCCC(=O)COC(C)C1CC1 1458a_200000137917_100000210303 [0,2,0,1,0,0|0,0,1]=4 47108 B12R1.686 CCCC(=O)COC(C)C1CC1 7a_100000744524_100000747444 [0,2,0,1,0,0|0,0,1]=4 47109 B12R1.686 CCCC(C)CNC(C)C1CC1 2230a_100000700016_100011216630 [0,2,0,1,0,0|1,0,0]=4 47110 B12R1.686 CCCC(C)CNC(C)C1CC1 270004a_100000700016_100000243154 [0,2,0,1,0,0|1,0,0]=4 47111 B12R1.686 CCCC(C)CNC(C)C1CC1 34a_100000700016_100011216630 [0,2,0,1,0,0|1,0,0]=4 47112 B12R1.686 CCCC(C)COC(C)C1CC1 34a_100000744524_100011216630 [0,2,0,1,0,0|0,0,0]=3 47113 B12R1.686 CCCC(C)COC(C)C1CC1 7a_100000744524_100011216630 [0,2,0,1,0,0|0,0,0]=3 47114 B12R1.686 CCCC(C)NCC(O)C1CC1 2230a_100000751198_100000766640 [0,2,0,1,0,0|1,0,0]=4 47115 B12R1.686 CCCC(C)NCC(O)C1CC1 270004a_100000751198_100000211909 [0,2,0,1,0,0|1,0,0]=4 47116 B12R1.686 CCCC(C)NCC(O)C1CC1 34a_100000751198_100000766640 [0,2,0,1,0,0|1,0,0]=4 47117 B12R1.686 CCCC(C)OCC(=O)C1CC1 34a_100000686663_100000766640 [0,2,0,1,0,0|0,0,1]=4 47118 B12R1.686 CCCC(C)OCC(=O)C1CC1 34a_100000764384_100000746382 [0,2,0,1,0,0|0,0,1]=4 47119 B12R1.686 CCCC(C)OCC(=O)C1CC1 7a_100000764384_100000746382 [0,2,0,1,0,0|0,0,1]=4 47120 B12R1.686 CCCC(C)OC[C@H](N)C1CC1 34a_100020623730_100000766640 [0,2,0,1,0,0|0,0,0]=3 47121 B12R1.686 COCC(C)OC[C@H](N)C1CC1 34a_100020623730_100000765312 [0,2,0,1,0,0|1,0,0]=4 47122 B12R1.686 COCC(O)COC(C)C1CC1 34a_100000744524_100011215053 [0,2,0,1,0,0|1,0,0]=4 47123 B12R1.686 COCC(O)COC(C)C1CC1 7a_100000744524_100011215053 [0,2,0,1,0,0|1,0,0]=4 47124 B12R1.1573 CC(CCBr)OCC1(CCC1)C 34a_100012276601_100000726658 [0,2,0,1,0,0|1,0,0]=4 47125 B12R1.1573 CCCC(=O)COC1(CCC1)C 7a_100000759064_100000747444 [0,2,0,1,0,0|0,0,1]=4 47126 B12R1.1573 CCCC(C)CNC1(CCC1)C 2230a_100000692455_100011216630 [0,2,0,1,0,0|1,0,0]=4 47127 B12R1.1573 CCCC(C)CNC1(CCC1)C 270004a_100000692455_100000243154 [0,2,0,1,0,0|1,0,0]=4 47128 B12R1.1573 CCCC(C)CNC1(CCC1)C 34a_100000692455_100011216630 [0,2,0,1,0,0|1,0,0]=4 47129 B12R1.1573 CCCC(C)COC1(CCC1)C 34a_100000759064_100011216630 [0,2,0,1,0,0|0,0,0]=3 47130 B12R1.1573 CCCC(C)COC1(CCC1)C 7a_100000759064_100011216630 [0,2,0,1,0,0|0,0,0]=3 47131 B12R1.1573 CCCC(C)COC1(CSC1)C 7a_100016018533_100011216630 [0,2,0,1,0,0|1,0,0]=4 47132 B12R1.1573 CCCC(C)NCC1(CCC1)C 2230a_100000706607_100000766640 [0,2,0,1,0,0|1,0,0]=4 47133 B12R1.1573 CCCC(C)NCC1(CCC1)C 2230a_100000741246_100000726658 [0,2,0,1,0,0|1,0,0]=4 47134 B12R1.1573 CCCC(C)NCC1(CCC1)C 270004a_100000706607_100000211909 [0,2,0,1,0,0|1,0,0]=4 47135 B12R1.1573 CCCC(C)NCC1(CCC1)O 2230a_100000752638_100000766640 [0,2,0,1,0,0|1,0,0]=4 47136 B12R1.1573 CCCC(C)NCC1(CCC1)O 270004a_100000752638_100000211909 [0,2,0,1,0,0|1,0,0]=4 47137 B12R1.1573 CCCC(C)OCC1(CCC1)C 34a_100000764384_100000726658 [0,2,0,1,0,0|0,0,0]=3 47138 B12R1.1573 CCCC(C)OCC1(CCC1)C 7a_100000764384_100000726658 [0,2,0,1,0,0|0,0,0]=3 47139 B12R1.1573 CCCC(C)OCC1(COC1)C 34a_100000764384_100009817586 [0,2,0,1,0,0|1,0,0]=4 47140 B12R1.1573 CCCC(C)OCC1(COC1)C 7a_100000764384_100009817586 [0,2,0,1,0,0|1,0,0]=4 47141 B12R1.1573 CCCC(C)OCC1(CSC1)C 34a_100000732658_100000766640 [0,2,0,1,0,0|1,0,0]=4 47142 B12R1.1573 CCCC(C)OCC1(CSC1)C 7a_100000732658_100000766640 [0,2,0,1,0,0|1,0,0]=4 47143 B12R1.1573 CCCC(C)SCC1(CCC1)C 62a_100000726658_100000766640 [0,2,0,1,0,0|0,1,0]=4 47144 B12R1.1573 CCCC(C)SCC1(CCC1)C 62a_100000766640_100000726658 [0,2,0,1,0,0|0,1,0]=4 47145 B12R1.1573 COCC(O)COC1(CCC1)C 34a_100000759064_100011215053 [0,2,0,1,0,0|1,0,0]=4 47146 B12R1.1573 COCC(O)COC1(CCC1)C 7a_100000759064_100011215053 [0,2,0,1,0,0|1,0,0]=4 47147 B12R1.1573 COC[C@@H](C)OCC1(CCC1)C 34a_100011934205_100000726658 [0,2,0,1,0,0|1,0,0]=4 47148 B12R1.8 BrCCCCOC1CCCCC1 34a_100011216708_100000210327 [0,2,0,1,0,0|0,0,0]=3 47149 B12R1.8 BrCCCCOC1CCCOC1 34a_100011216708_100000693364 [0,2,0,1,0,0|0,0,0]=3 47150 B12R1.8 BrCCCCOC1CCSCC1 34a_100011216708_100000069128 [0,2,0,1,0,0|0,0,0]=3 47151 B12R1.8 BrCCCOCC1CCCCC1 34a_100011217188_100000211423 [0,2,0,1,0,0|1,0,0]=4 47152 B12R1.8 BrCCCOCC1CCCCO1 34a_100011217188_100000211543 [0,2,0,1,0,0|0,0,0]=3 47153 B12R1.8 BrCCCOCC1CCCOC1 34a_100011217188_100000741521 [0,2,0,1,0,0|1,0,0]=4 47154 B12R1.8 BrCCCOCC1CCOCC1 34a_100011217188_100000754603 [0,2,0,1,0,0|1,0,0]=4 47155 B12R1.8 BrCCOCCC1CCCCC1 34a_100000211926_100011209188 [0,2,0,1,0,0|1,0,0]=4 47156 B12R1.8 BrCCOCCC1OCCCO1 34a_100000211926_100000764188 [0,2,0,1,0,0|1,0,0]=4 47157 B12R1.8 BrCCOCCN1CCCCC1 34a_100000211926_100000739454 [0,2,0,1,0,0|1,0,0]=4 47158 B12R1.8 BrCCOCOC1CCCCC1 34a_100000211926_100011935260 [0,2,0,1,0,0|1,0,0]=4 47159 B12R1.8 C#CCCCOC1CCCCC1 34a_100000210231_100000695029 [0,2,0,1,0,0|0,0,1]=4 47160 B12R1.8 C#CCCCOC1CCCCC1 34a_100000215630_100000210327 [0,2,0,1,0,0|0,0,1]=4 47161 B12R1.8 C#CCCCOC1CCCCC1 7a_100000210231_100011215417 [0,2,0,1,0,0|0,0,1]=4 47162 B12R1.8 C#CCCCOC1CCCCC1 7a_100000215630_100000210327 [0,2,0,1,0,0|0,0,1]=4 47163 B12R1.8 C#CCCCOC1CCCCO1 34a_100000033831_100000695029 [0,2,0,1,0,0|0,0,1]=4 47164 B12R1.8 C#CCCCOC1CCCOC1 34a_100000215630_100000693364 [0,2,0,1,0,0|0,0,1]=4 47165 B12R1.8 C#CCCCOC1CCCOC1 34a_100000754041_100000695029 [0,2,0,1,0,0|0,0,1]=4 47166 B12R1.8 C#CCCCOC1CCCOC1 7a_100000215630_100000693364 [0,2,0,1,0,0|0,0,1]=4 47167 B12R1.8 C#CCCCOC1CCCSC1 7a_100015962668_100011215417 [0,2,0,1,0,0|0,0,1]=4 47168 B12R1.8 C#CCCCOC1CCOCC1 34a_100000744328_100000695029 [0,2,0,1,0,0|0,0,1]=4 47169 B12R1.8 C#CCCCOC1CCOCC1 7a_100000215630_100000686592 [0,2,0,1,0,0|0,0,1]=4 47170 B12R1.8 C#CCCCOC1CCSCC1 34a_100000215630_100000069128 [0,2,0,1,0,0|0,0,1]=4 47171 B12R1.8 C#CCCCOC1CCSCC1 34a_100000731022_100000695029 [0,2,0,1,0,0|0,0,1]=4 47172 B12R1.8 C#CCCCOC1CCSCC1 7a_100000215630_100011500858 [0,2,0,1,0,0|0,0,1]=4 47173 B12R1.8 C#CCCCOC1CCSCC1 7a_100000731022_100011215417 [0,2,0,1,0,0|0,0,1]=4 47174 B12R1.8 C#CCCNCC1CCCCO1 2230a_100000174945_100000688953 [0,2,0,1,0,0|0,0,1]=4 47175 B12R1.8 C#CCCNCC1CCCCO1 34a_100000174945_100000688953 [0,2,0,1,0,0|0,0,1]=4 47176 B12R1.8 C#CCCNCC1CCCCO1 34a_100000755551_100000211543 [0,2,0,1,0,0|0,0,1]=4 47177 B12R1.8 C#CCCOCC1CCCCO1 34a_100000211370_100000688953 [0,2,0,1,0,0|0,0,1]=4 47178 B12R1.8 C#CCCOCC1CCCCO1 34a_100011215631_100000211543 [0,2,0,1,0,0|0,0,1]=4 47179 B12R1.8 C#CCCOCC1CCCCO1 7a_100000211370_100000688953 [0,2,0,1,0,0|0,0,1]=4 47180 B12R1.8 C#CCCSCC1CCCCO1 62a_100000211543_100000688953 [0,2,0,1,0,0|0,0,1]=4 47181 B12R1.8 C#CCCSCC1CCCCO1 62a_100000688953_100000211543 [0,2,0,1,0,0|0,0,1]=4 47182 B12R1.8 C#CCNCCC1CCCCO1 2230a_100015183643_100000038162 [0,2,0,1,0,0|0,0,1]=4 47183 B12R1.8 C#CCNCCC1CCCCO1 34a_100015183643_100000184674 [0,2,0,1,0,0|0,0,1]=4 47184 B12R1.8 C/C=C/CCOC1CCCCC1 34a_100016278192_100000210327 [0,2,0,1,0,0|0,0,1]=4 47185 B12R1.8 C/C=C/CCOC1CCCOC1 34a_100016278192_100000693364 [0,2,0,1,0,0|0,0,1]=4 47186 B12R1.8 C/C=C/CCOC1CCSCC1 34a_100016278192_100000069128 [0,2,0,1,0,0|0,0,1]=4 47187 B12R1.8 C/C=C/CNCC1CCCCO1 34a_100000174945_100102629194 [0,2,0,1,0,0|0,0,1]=4 47188 B12R1.8 C/C=C/COCC1CCCCO1 34a_100000211370_100102629194 [0,2,0,1,0,0|0,0,1]=4 47189 B12R1.8 C/C=C/COCC1CCCCO1 34a_100016270725_100000211543 [0,2,0,1,0,0|0,0,1]=4 47190 B12R1.8 C/C=C/COCC1CCCCO1 7a_100000211370_100102629194 [0,2,0,1,0,0|0,0,1]=4 47191 B12R1.8 C/C=C/CSCC1CCCCO1 62a_100000211543_100102629194 [0,2,0,1,0,0|0,0,1]=4 47192 B12R1.8 C/C=C/CSCC1CCCCO1 62a_100102629194_100000211543 [0,2,0,1,0,0|0,0,1]=4 47193 B12R1.8 C=CCCCOC1CCCCC1 34a_100000210231_100000757094 [0,2,0,1,0,0|0,0,1]=4 47194 B12R1.8 C=CCCCOC1CCCCC1 34a_100000758997_100000210327 [0,2,0,1,0,0|0,0,1]=4 47195 B12R1.8 C=CCCCOC1CCCCC1 7a_100000210231_100000757094 [0,2,0,1,0,0|0,0,1]=4 47196 B12R1.8 C=CCCCOC1CCCCC1 7a_100000758997_100000210327 [0,2,0,1,0,0|0,0,1]=4 47197 B12R1.8 C=CCCCOC1CCCCO1 34a_100000033831_100000757094 [0,2,0,1,0,0|0,0,1]=4 47198 B12R1.8 C=CCCCOC1CCCOC1 34a_100000754041_100000757094 [0,2,0,1,0,0|0,0,1]=4 47199 B12R1.8 C=CCCCOC1CCCOC1 34a_100000758997_100000693364 [0,2,0,1,0,0|0,0,1]=4 47200 B12R1.8 C=CCCCOC1CCCOC1 7a_100000758997_100000693364 [0,2,0,1,0,0|0,0,1]=4 47201 B12R1.8 C=CCCCOC1CCCSC1 7a_100015962668_100000757094 [0,2,0,1,0,0|0,0,1]=4 47202 B12R1.8 C=CCCCOC1CCOCC1 34a_100000744328_100000757094 [0,2,0,1,0,0|0,0,1]=4 47203 B12R1.8 C=CCCCOC1CCOCC1 7a_100000758997_100000686592 [0,2,0,1,0,0|0,0,1]=4 47204 B12R1.8 C=CCCCOC1CCSCC1 34a_100000731022_100000757094 [0,2,0,1,0,0|0,0,1]=4 47205 B12R1.8 C=CCCCOC1CCSCC1 34a_100000758997_100000069128 [0,2,0,1,0,0|0,0,1]=4 47206 B12R1.8 C=CCCCOC1CCSCC1 7a_100000731022_100000757094 [0,2,0,1,0,0|0,0,1]=4 47207 B12R1.8 C=CCCCOC1CCSCC1 7a_100000758997_100011500858 [0,2,0,1,0,0|0,0,1]=4 47208 B12R1.8 C=CCCNCC1CCCCO1 2230a_100000174945_100000754431 [0,2,0,1,0,0|0,0,1]=4 47209 B12R1.8 C=CCCNCC1CCCCO1 2230a_100015191253_100000211543 [0,2,0,1,0,0|0,0,1]=4 47210 B12R1.8 C=CCCNCC1CCCCO1 34a_100000174945_100000754431 [0,2,0,1,0,0|0,0,1]=4 47211 B12R1.8 C=CCCOCC1CCCCO1 34a_100000211370_100000754431 [0,2,0,1,0,0|0,0,1]=4 47212 B12R1.8 C=CCCOCC1CCCCO1 34a_100011205117_100000211543 [0,2,0,1,0,0|0,0,1]=4 47213 B12R1.8 C=CCCOCC1CCCCO1 7a_100000211370_100000754431 [0,2,0,1,0,0|0,0,1]=4 47214 B12R1.8 C=CCCSCC1CCCCO1 62a_100000211543_100000754431 [0,2,0,1,0,0|0,0,1]=4 47215 B12R1.8 C=CCCSCC1CCCCO1 62a_100000754431_100000211543 [0,2,0,1,0,0|0,0,1]=4 47216 B12R1.8 C=CCNCCC1CCCCO1 2230a_100015183643_100000210623 [0,2,0,1,0,0|0,0,1]=4 47217 B12R1.8 C=CCNCCC1CCCCO1 34a_100015183643_100015514636 [0,2,0,1,0,0|0,0,1]=4 47218 B12R1.8 CC#CCCOC1CCCCC1 34a_100000750427_100000210327 [0,2,0,1,0,0|0,0,1]=4 47219 B12R1.8 CC#CCCOC1CCCOC1 34a_100000750427_100000693364 [0,2,0,1,0,0|0,0,1]=4 47220 B12R1.8 CC#CCCOC1CCSCC1 34a_100000750427_100000069128 [0,2,0,1,0,0|0,0,1]=4 47221 B12R1.8 CC#CCNCC1CCCCO1 2230a_100000174945_100000748600 [0,2,0,1,0,0|0,0,1]=4 47222 B12R1.8 CC#CCNCC1CCCCO1 2230a_100000685387_100000211543 [0,2,0,1,0,0|0,0,1]=4 47223 B12R1.8 CC#CCNCC1CCCCO1 34a_100000174945_100000748600 [0,2,0,1,0,0|0,0,1]=4 47224 B12R1.8 CC#CCNCC1CCCCO1 34a_100000685387_100000211543 [0,2,0,1,0,0|0,0,1]=4 47225 B12R1.8 CC#CCOCC1CCCCO1 34a_100000211370_100000748600 [0,2,0,1,0,0|0,0,1]=4 47226 B12R1.8 CC#CCOCC1CCCCO1 34a_100000761923_100000211543 [0,2,0,1,0,0|0,0,1]=4 47227 B12R1.8 CC#CCOCC1CCCCO1 7a_100000211370_100000748600 [0,2,0,1,0,0|0,0,1]=4 47228 B12R1.8 CC#CCSCC1CCCCO1 62a_100000211543_100000748600 [0,2,0,1,0,0|0,0,1]=4 47229 B12R1.8 CC#CCSCC1CCCCO1 62a_100000748600_100000211543 [0,2,0,1,0,0|0,0,1]=4 47230 B12R1.8 CC/C=C\COC1CCCCC1 34a_100000210231_100103147603 [0,2,0,1,0,0|0,0,1]=4 47231 B12R1.8 CC/C=C\COC1CCCCC1 34a_100016268518_100000210327 [0,2,0,1,0,0|0,0,1]=4 47232 B12R1.8 CC/C=C\COC1CCCCC1 7a_100000210231_100103147603 [0,2,0,1,0,0|0,0,1]=4 47233 B12R1.8 CC/C=C\COC1CCCCO1 34a_100000033831_100103147603 [0,2,0,1,0,0|0,0,1]=4 47234 B12R1.8 CC/C=C\COC1CCCOC1 34a_100000754041_100103147603 [0,2,0,1,0,0|0,0,1]=4 47235 B12R1.8 CC/C=C\COC1CCCOC1 34a_100016268518_100000693364 [0,2,0,1,0,0|0,0,1]=4 47236 B12R1.8 CC/C=C\COC1CCCSC1 7a_100015962668_100103147603 [0,2,0,1,0,0|0,0,1]=4 47237 B12R1.8 CC/C=C\COC1CCOCC1 34a_100000744328_100103147603 [0,2,0,1,0,0|0,0,1]=4 47238 B12R1.8 CC/C=C\COC1CCSCC1 34a_100000731022_100103147603 [0,2,0,1,0,0|0,0,1]=4 47239 B12R1.8 CC/C=C\COC1CCSCC1 34a_100016268518_100000069128 [0,2,0,1,0,0|0,0,1]=4 47240 B12R1.8 CC/C=C\COC1CCSCC1 7a_100000731022_100103147603 [0,2,0,1,0,0|0,0,1]=4 47241 B12R1.8 CC=CCNCC1CCCCO1 2230a_100000174945_100000070051 [0,2,0,1,0,0|0,0,1]=4 47242 B12R1.8 CC=CCNCC1CCCCO1 34a_100000174945_100000070051 [0,2,0,1,0,0|0,0,1]=4 47243 B12R1.8 CC=CCOCC1CCCCO1 34a_100000211370_100000070051 [0,2,0,1,0,0|0,0,1]=4 47244 B12R1.8 CC=CCOCC1CCCCO1 7a_100000211370_100000070051 [0,2,0,1,0,0|0,0,1]=4 47245 B12R1.8 CC=CCSCC1CCCCO1 62a_100000070051_100000211543 [0,2,0,1,0,0|0,0,1]=4 47246 B12R1.8 CC=CCSCC1CCCCO1 62a_100000211543_100000070051 [0,2,0,1,0,0|0,0,1]=4 47247 B12R1.8 CCC#CCOC1CCCCC1 34a_100000032950_100000210327 [0,2,0,1,0,0|0,0,1]=4 47248 B12R1.8 CCC#CCOC1CCCCC1 34a_100000210231_100009813939 [0,2,0,1,0,0|0,0,1]=4 47249 B12R1.8 CCC#CCOC1CCCCC1 7a_100000210231_100009813939 [0,2,0,1,0,0|0,0,1]=4 47250 B12R1.8 CCC#CCOC1CCCCO1 34a_100000033831_100009813939 [0,2,0,1,0,0|0,0,1]=4 47251 B12R1.8 CCC#CCOC1CCCOC1 34a_100000032950_100000693364 [0,2,0,1,0,0|0,0,1]=4 47252 B12R1.8 CCC#CCOC1CCCOC1 34a_100000754041_100009813939 [0,2,0,1,0,0|0,0,1]=4 47253 B12R1.8 CCC#CCOC1CCCSC1 7a_100015962668_100009813939 [0,2,0,1,0,0|0,0,1]=4 47254 B12R1.8 CCC#CCOC1CCOCC1 34a_100000744328_100009813939 [0,2,0,1,0,0|0,0,1]=4 47255 B12R1.8 CCC#CCOC1CCSCC1 34a_100000032950_100000069128 [0,2,0,1,0,0|0,0,1]=4 47256 B12R1.8 CCC#CCOC1CCSCC1 34a_100000731022_100009813939 [0,2,0,1,0,0|0,0,1]=4 47257 B12R1.8 CCC#CCOC1CCSCC1 7a_100000731022_100009813939 [0,2,0,1,0,0|0,0,1]=4 47258 B12R1.8 CCCCCCN1CCCOC1 2230a_100000131196_100000210314 [0,2,0,1,0,0|1,0,0]=4 47259 B12R1.8 CCCCCCN1CCCOC1 269982a_100000131196_100000210757 [0,2,0,1,0,0|1,0,0]=4 47260 B12R1.8 CCCCCCN1CCCOC1 34a_100000131196_100000210314 [0,2,0,1,0,0|1,0,0]=4 47261 B12R1.8 CCCCCCN1CCOCC1 2230a_100015191051_100000210314 [0,2,0,1,0,0|1,0,0]=4 47262 B12R1.8 CCCCCCN1CCOCC1 269982a_100015191051_100000210757 [0,2,0,1,0,0|1,0,0]=4 47263 B12R1.8 CCCCCCN1CCOCC1 34a_100015191051_100000210314 [0,2,0,1,0,0|1,0,0]=4 47264 B12R1.8 CCCCCCN1CCSCC1 2230a_100000737611_100000210314 [0,2,0,1,0,0|1,0,0]=4 47265 B12R1.8 CCCCCCN1CCSCC1 269982a_100000737611_100000210757 [0,2,0,1,0,0|1,0,0]=4 47266 B12R1.8 CCCCCNC1C=CCCC1 2230a_100000209983_100000751183 [0,2,0,1,0,0|1,0,0]=4 47267 B12R1.8 CCCCCNC1CCCCC1 2230a_100000182618_100000210326 [0,2,0,1,0,0|1,0,0]=4 47268 B12R1.8 CCCCCNC1CCCCC1 270004a_100000209983_100000210434 [0,2,0,1,0,0|1,0,0]=4 47269 B12R1.8 CCCCCNC1CCCCC1 34a_100000182618_100000718602 [0,2,0,1,0,0|1,0,0]=4 47270 B12R1.8 CCCCCNC1CCCOC1 2230a_100000719290_100000210326 [0,2,0,1,0,0|1,0,0]=4 47271 B12R1.8 CCCCCNC1CCCOC1 270004a_100000209983_100000753404 [0,2,0,1,0,0|1,0,0]=4 47272 B12R1.8 CCCCCNC1CCCOC1 34a_100000719290_100000718602 [0,2,0,1,0,0|1,0,0]=4 47273 B12R1.8 CCCCCNC1CCCSC1 270004a_100000209983_100000057913 [0,2,0,1,0,0|1,0,0]=4 47274 B12R1.8 CCCCCNC1CCNCC1 270004a_100000209983_100015192401 [0,2,0,1,0,0|1,0,0]=4 47275 B12R1.8 CCCCCNC1CCOCC1 2230a_100000741149_100000210326 [0,2,0,1,0,0|1,0,0]=4 47276 B12R1.8 CCCCCNC1CCOCC1 270004a_100000209983_100011217826 [0,2,0,1,0,0|1,0,0]=4 47277 B12R1.8 CCCCCNC1CCOCC1 34a_100000741149_100000718602 [0,2,0,1,0,0|1,0,0]=4 47278 B12R1.8 CCCCCNC1CCSCC1 2230a_100000748639_100000210326 [0,2,0,1,0,0|1,0,0]=4 47279 B12R1.8 CCCCCNC1CCSCC1 270004a_100000209983_100000203788 [0,2,0,1,0,0|1,0,0]=4 47280 B12R1.8 CCCCCNC1CCSCC1 34a_100000748639_100000718602 [0,2,0,1,0,0|1,0,0]=4 47281 B12R1.8 CCCCCOC1C=CCCC1 34a_100011215024_100000718602 [0,2,0,1,0,0|0,0,0]=3 47282 B12R1.8 CCCCCOC1C=CCCC1 7a_100000210253_100000751183 [0,2,0,1,0,0|0,0,0]=3 47283 B12R1.8 CCCCCOC1CC=CCC1 34a_100000073881_100000718602 [0,2,0,1,0,0|0,0,0]=3 47284 B12R1.8 CCCCCOC1CCCCC1 34a_100000210231_100000718602 [0,2,0,1,0,0|0,0,0]=3 47285 B12R1.8 CCCCCOC1CCCCC1 34a_100000210253_100000210327 [0,2,0,1,0,0|0,0,0]=3 47286 B12R1.8 CCCCCOC1CCCCC1 7a_100000210231_100000210326 [0,2,0,1,0,0|0,0,0]=3 47287 B12R1.8 CCCCCOC1CCCCC1 7a_100000210253_100000210327 [0,2,0,1,0,0|0,0,0]=3 47288 B12R1.8 CCCCCOC1CCCCO1 34a_100000033831_100000718602 [0,2,0,1,0,0|0,0,0]=3 47289 B12R1.8 CCCCCOC1CCCOC1 34a_100000210253_100000693364 [0,2,0,1,0,0|0,0,0]=3 47290 B12R1.8 CCCCCOC1CCCOC1 34a_100000754041_100000718602 [0,2,0,1,0,0|0,0,0]=3 47291 B12R1.8 CCCCCOC1CCCOC1 7a_100000210253_100000693364 [0,2,0,1,0,0|0,0,0]=3 47292 B12R1.8 CCCCCOC1CCCSC1 7a_100015962668_100000210326 [0,2,0,1,0,0|0,0,0]=3 47293 B12R1.8 CCCCCOC1CCOCC1 34a_100000744328_100000718602 [0,2,0,1,0,0|0,0,0]=3 47294 B12R1.8 CCCCCOC1CCOCC1 7a_100000210253_100000686592 [0,2,0,1,0,0|0,0,0]=3 47295 B12R1.8 CCCCCOC1CCSCC1 34a_100000210253_100000069128 [0,2,0,1,0,0|0,0,0]=3 47296 B12R1.8 CCCCCOC1CCSCC1 34a_100000731022_100000718602 [0,2,0,1,0,0|0,0,0]=3 47297 B12R1.8 CCCCCOC1CCSCC1 7a_100000210253_100011500858 [0,2,0,1,0,0|0,0,0]=3 47298 B12R1.8 CCCCCOC1CCSCC1 7a_100000731022_100000210326 [0,2,0,1,0,0|0,0,0]=3 47299 B12R1.8 CCCCCSC1C=CCCC1 62a_100000210326_100000751183 [0,2,0,1,0,0|0,1,0]=4 47300 B12R1.8 CCCCCSC1C=CCCC1 62a_100000751183_100000210326 [0,2,0,1,0,0|0,1,0]=4 47301 B12R1.8 CCCCCSC1CCCCC1 62a_100000210326_100000210327 [0,2,0,1,0,0|0,1,0]=4 47302 B12R1.8 CCCCCSC1CCCCC1 62a_100000210327_100000210326 [0,2,0,1,0,0|0,1,0]=4 47303 B12R1.8 CCCCCSC1CCCOC1 62a_100000210326_100000693364 [0,2,0,1,0,0|0,1,0]=4 47304 B12R1.8 CCCCCSC1CCOCC1 62a_100000210326_100011324220 [0,2,0,1,0,0|0,1,0]=4 47305 B12R1.8 CCCCCSC1CCSCC1 62a_100000210326_100000069128 [0,2,0,1,0,0|0,1,0]=4 47306 B12R1.8 CCCCNCC1CC=CCC1 270004a_100000102301_100000189434 [0,2,0,1,0,0|1,0,0]=4 47307 B12R1.8 CCCCNCC1CCCCC1 2230a_100000102301_100000211423 [0,2,0,1,0,0|1,0,0]=4 47308 B12R1.8 CCCCNCC1CCCCC1 2230a_100000210473_100000210211 [0,2,0,1,0,0|1,0,0]=4 47309 B12R1.8 CCCCNCC1CCCCC1 269862a_100000102301_100000211278 [0,2,0,1,0,0|1,0,0]=4 47310 B12R1.8 CCCCNCC1CCCCC1 34a_100000210473_100000210210 [0,2,0,1,0,0|1,0,0]=4 47311 B12R1.8 CCCCNCC1CCCCC1 7a_106832991798_100000211423 [0,2,0,1,0,0|1,0,0]=4 47312 B12R1.8 CCCCNCC1CCCCO1 2230a_100000102301_100000211543 [0,2,0,1,0,0|0,0,0]=3 47313 B12R1.8 CCCCNCC1CCCCO1 2230a_100000174945_100000210211 [0,2,0,1,0,0|0,0,0]=3 47314 B12R1.8 CCCCNCC1CCCCO1 34a_100000174945_100000210210 [0,2,0,1,0,0|0,0,0]=3 47315 B12R1.8 CCCCNCC1CCCCO1 7a_106832991798_100000211543 [0,2,0,1,0,0|0,0,0]=3 47316 B12R1.8 CCCCNCC1CCCOC1 2230a_100000102301_100000741521 [0,2,0,1,0,0|1,0,0]=4 47317 B12R1.8 CCCCNCC1CCCOC1 2230a_100000720124_100000210211 [0,2,0,1,0,0|1,0,0]=4 47318 B12R1.8 CCCCNCC1CCCOC1 34a_100000720124_100000210210 [0,2,0,1,0,0|1,0,0]=4 47319 B12R1.8 CCCCNCC1CCCOC1 7a_106832991798_100000741521 [0,2,0,1,0,0|1,0,0]=4 47320 B12R1.8 CCCCNCC1CCOCC1 2230a_100000102301_100000754603 [0,2,0,1,0,0|1,0,0]=4 47321 B12R1.8 CCCCNCC1CCOCC1 2230a_100000746373_100000210211 [0,2,0,1,0,0|1,0,0]=4 47322 B12R1.8 CCCCNCC1CCOCC1 269862a_100000102301_100000749017 [0,2,0,1,0,0|1,0,0]=4 47323 B12R1.8 CCCCNCC1CCOCC1 34a_100000746373_100000210210 [0,2,0,1,0,0|1,0,0]=4 47324 B12R1.8 CCCCNCC1CCOCC1 7a_106832991798_100000754603 [0,2,0,1,0,0|1,0,0]=4 47325 B12R1.8 CCCCNCC1CCSCC1 2230a_100015188806_100000210211 [0,2,0,1,0,0|1,0,0]=4 47326 B12R1.8 CCCCNCC1CCSCC1 269862a_100000102301_100000067145 [0,2,0,1,0,0|1,0,0]=4 47327 B12R1.8 CCCCNCC1CCSCC1 270004a_100000102301_100000067145 [0,2,0,1,0,0|1,0,0]=4 47328 B12R1.8 CCCCNCC1CCSCC1 34a_100015188806_100000210210 [0,2,0,1,0,0|1,0,0]=4 47329 B12R1.8 CCCCNC[C@H]1COCCO1 2230a_100010981119_100000210211 [0,2,0,1,0,0|1,0,0]=4 47330 B12R1.8 CCCCNC[C@H]1COCCO1 34a_100010981119_100000210210 [0,2,0,1,0,0|1,0,0]=4 47331 B12R1.8 CCCCNN=C1CCCCC1 4a_100025702795_100000210434 [0,2,0,1,0,0|1,0,0]=4 47332 B12R1.8 CCCCOCC1CC=CCC1 34a_100000210713_100000210210 [0,2,0,1,0,0|0,0,0]=3 47333 B12R1.8 CCCCOCC1CCC=CO1 34a_100011217868_100000210210 [0,2,0,1,0,0|0,0,1]=4 47334 B12R1.8 CCCCOCC1CCCCC1 34a_100000210227_100000211423 [0,2,0,1,0,0|0,0,0]=3 47335 B12R1.8 CCCCOCC1CCCCC1 34a_100000212181_100000210210 [0,2,0,1,0,0|0,0,0]=3 47336 B12R1.8 CCCCOCC1CCCCC1 7a_100000210227_100000211423 [0,2,0,1,0,0|0,0,0]=3 47337 B12R1.8 CCCCOCC1CCCCC1 7a_100000212181_100000210211 [0,2,0,1,0,0|0,0,0]=3 47338 B12R1.8 CCCCOCC1CCCCN1 34a_100000210821_100000210210 [0,2,0,1,0,0|0,0,0]=3 47339 B12R1.8 CCCCOCC1CCCCO1 34a_100000210227_100000211543 [0,2,0,1,0,0|0,0,0]=3 47340 B12R1.8 CCCCOCC1CCCCO1 34a_100000211370_100000210210 [0,2,0,1,0,0|0,0,0]=3 47341 B12R1.8 CCCCOCC1CCCCO1 7a_100000210227_100000211543 [0,2,0,1,0,0|0,0,0]=3 47342 B12R1.8 CCCCOCC1CCCCO1 7a_100000211370_100000210211 [0,2,0,1,0,0|0,0,0]=3 47343 B12R1.8 CCCCOCC1CCCNC1 34a_100000211344_100000210210 [0,2,0,1,0,0|0,0,0]=3 47344 B12R1.8 CCCCOCC1CCCOC1 34a_100000210227_100000741521 [0,2,0,1,0,0|0,0,0]=3 47345 B12R1.8 CCCCOCC1CCCOC1 34a_100000741520_100000210210 [0,2,0,1,0,0|0,0,0]=3 47346 B12R1.8 CCCCOCC1CCCOC1 7a_100000210227_100000741521 [0,2,0,1,0,0|0,0,0]=3 47347 B12R1.8 CCCCOCC1CCNCC1 34a_100000738675_100000210210 [0,2,0,1,0,0|0,0,0]=3 47348 B12R1.8 CCCCOCC1CCOCC1 34a_100000210227_100000754603 [0,2,0,1,0,0|0,0,0]=3 47349 B12R1.8 CCCCOCC1CCOCC1 34a_100000749013_100000210210 [0,2,0,1,0,0|0,0,0]=3 47350 B12R1.8 CCCCOCC1CCOCC1 7a_100000210227_100000754603 [0,2,0,1,0,0|0,0,0]=3 47351 B12R1.8 CCCCOCC1CCSCC1 34a_100000070558_100000210210 [0,2,0,1,0,0|0,0,0]=3 47352 B12R1.8 CCCCOCC1CCSCC1 7a_100000070558_100000210211 [0,2,0,1,0,0|0,0,0]=3 47353 B12R1.8 CCCCOCN1CC=CCC1 2230a_100000698166_100011995733 [0,2,0,1,0,0|0,0,1]=4 47354 B12R1.8 CCCCOCN1CC=CCC1 269982a_100000698166_100011995733 [0,2,0,1,0,0|0,0,1]=4 47355 B12R1.8 CCCCOCN1CC=CCC1 34a_100000698166_100011995733 [0,2,0,1,0,0|0,0,1]=4 47356 B12R1.8 CCCCOCN1CCCOC1 2230a_100000131196_100011995733 [0,2,0,1,0,0|0,0,0]=3 47357 B12R1.8 CCCCOCN1CCCOC1 269982a_100000131196_100011995733 [0,2,0,1,0,0|0,0,0]=3 47358 B12R1.8 CCCCOCN1CCCOC1 34a_100000131196_100011995733 [0,2,0,1,0,0|0,0,0]=3 47359 B12R1.8 CCCCOCN1CCOCC1 2230a_100015191051_100011995733 [0,2,0,1,0,0|0,0,0]=3 47360 B12R1.8 CCCCOCN1CCOCC1 269982a_100015191051_100011995733 [0,2,0,1,0,0|0,0,0]=3 47361 B12R1.8 CCCCOCN1CCOCC1 34a_100015191051_100011995733 [0,2,0,1,0,0|0,0,0]=3 47362 B12R1.8 CCCCOCN1CCSCC1 2230a_100000737611_100011995733 [0,2,0,1,0,0|0,0,0]=3 47363 B12R1.8 CCCCOCN1CCSCC1 269982a_100000737611_100011995733 [0,2,0,1,0,0|0,0,0]=3 47364 B12R1.8 CCCCOC[C@@H]1CNCCO1 34a_100015189573_100000210210 [0,2,0,1,0,0|0,0,0]=3 47365 B12R1.8 CCCCOC[C@@H]1COCCN1 34a_100000717676_100000210210 [0,2,0,1,0,0|0,0,0]=3 47366 B12R1.8 CCCCOC[C@H]1COCCO1 34a_100009875890_100000210210 [0,2,0,1,0,0|0,0,0]=3 47367 B12R1.8 CCCCSCC1CCCCC1 62a_100000210211_100000211423 [0,2,0,1,0,0|0,1,0]=4 47368 B12R1.8 CCCCSCC1CCCCC1 62a_100000211423_100000210210 [0,2,0,1,0,0|0,1,0]=4 47369 B12R1.8 CCCCSCC1CCCCO1 62a_100000210211_100000211543 [0,2,0,1,0,0|0,0,0]=3 47370 B12R1.8 CCCCSCC1CCCCO1 62a_100000211543_100000210210 [0,2,0,1,0,0|0,0,0]=3 47371 B12R1.8 CCCCSCC1CCCOC1 62a_100000210211_100000741521 [0,2,0,1,0,0|0,1,0]=4 47372 B12R1.8 CCCCSCC1CCCOC1 62a_100000741521_100000210210 [0,2,0,1,0,0|0,1,0]=4 47373 B12R1.8 CCCCSCC1CCOCC1 62a_100000210211_100000749018 [0,2,0,1,0,0|0,1,0]=4 47374 B12R1.8 CCCCSCC1CCOCC1 62a_100000754603_100000210210 [0,2,0,1,0,0|0,1,0]=4 47375 B12R1.8 CCCNCCC1=CCCCC1 2230a_100000212019_100000210303 [0,2,0,1,0,0|1,0,0]=4 47376 B12R1.8 CCCNCCC1=CCCCC1 34a_100000212019_100000210303 [0,2,0,1,0,0|1,0,0]=4 47377 B12R1.8 CCCNCCC1CCCCC1 2230a_100000738074_100000210303 [0,2,0,1,0,0|1,0,0]=4 47378 B12R1.8 CCCNCCC1CCCCC1 270004a_100020643023_100011713444 [0,2,0,1,0,0|1,0,0]=4 47379 B12R1.8 CCCNCCC1CCCCC1 34a_100000738074_100000210303 [0,2,0,1,0,0|1,0,0]=4 47380 B12R1.8 CCCNCCC1CCCCO1 2230a_100015183643_100000210303 [0,2,0,1,0,0|0,0,0]=3 47381 B12R1.8 CCCNCCC1CCCCO1 34a_100015183643_100000210303 [0,2,0,1,0,0|0,0,0]=3 47382 B12R1.8 CCCNCCC1CCOCC1 2230a_100000755988_100000210303 [0,2,0,1,0,0|1,0,0]=4 47383 B12R1.8 CCCNCCC1CCOCC1 34a_100000755988_100000210303 [0,2,0,1,0,0|1,0,0]=4 47384 B12R1.8 CCCNCCN1CCSCC1 2230a_100000755026_100000210303 [0,2,0,1,0,0|1,0,0]=4 47385 B12R1.8 CCCOCCC1CCCCC1 34a_100000210258_100011209188 [0,2,0,1,0,0|1,0,0]=4 47386 B12R1.8 CCCOCCC1CCCCC1 34a_100011217863_100000210303 [0,2,0,1,0,0|1,0,0]=4 47387 B12R1.8 CCCOCCC1CCCCC1 7a_100011217863_100000210303 [0,2,0,1,0,0|1,0,0]=4 47388 B12R1.8 CCCOCCC1CCCCN1 34a_100000211664_100000210303 [0,2,0,1,0,0|1,0,0]=4 47389 B12R1.8 CCCOCCC1CCCNC1 34a_100000752241_100000210303 [0,2,0,1,0,0|1,0,0]=4 47390 B12R1.8 CCCOCCC1CCNCC1 34a_100015190746_100000210303 [0,2,0,1,0,0|1,0,0]=4 47391 B12R1.8 CCCOCCC1CCOCC1 34a_100000210258_100011934994 [0,2,0,1,0,0|1,0,0]=4 47392 B12R1.8 CCCOCCC1CCOCC1 34a_100011933979_100000210303 [0,2,0,1,0,0|1,0,0]=4 47393 B12R1.8 CCCOCCC1CCOCC1 7a_100011933979_100000210303 [0,2,0,1,0,0|1,0,0]=4 47394 B12R1.8 CCCOCCC1OCCCO1 34a_100000210258_100000764188 [0,2,0,1,0,0|1,0,0]=4 47395 B12R1.8 CCCOCCN1CCCCC1 34a_100000210258_100000739454 [0,2,0,1,0,0|1,0,0]=4 47396 B12R1.8 CCCOCCN1CCCOC1 2230a_100000131196_100011215938 [0,2,0,1,0,0|1,0,0]=4 47397 B12R1.8 CCCOCCN1CCCOC1 269982a_100000131196_100011215938 [0,2,0,1,0,0|1,0,0]=4 47398 B12R1.8 CCCOCCN1CCCOC1 34a_100000131196_100011215938 [0,2,0,1,0,0|1,0,0]=4 47399 B12R1.8 CCCOCCN1CCOCC1 2230a_100015191051_100011215938 [0,2,0,1,0,0|1,0,0]=4 47400 B12R1.8 CCCOCCN1CCOCC1 269982a_100015191051_100011215938 [0,2,0,1,0,0|1,0,0]=4 47401 B12R1.8 CCCOCCN1CCOCC1 34a_100015191051_100011215938 [0,2,0,1,0,0|1,0,0]=4 47402 B12R1.8 CCCOCCN1CCSCC1 2230a_100000737611_100011215938 [0,2,0,1,0,0|1,0,0]=4 47403 B12R1.8 CCCOCCN1CCSCC1 269982a_100000737611_100011215938 [0,2,0,1,0,0|1,0,0]=4 47404 B12R1.8 CCCOCCN1CCSCC1 7a_100000686052_100000210303 [0,2,0,1,0,0|1,0,0]=4 47405 B12R1.8 CCCOCOC1CCCCC1 34a_100000210258_100011935260 [0,2,0,1,0,0|0,0,0]=3 47406 B12R1.8 CCCSCCC1CCCCC1 62a_100000210303_100012355289 [0,2,0,1,0,0|1,0,0]=4 47407 B12R1.8 CCCSCCC1CCCCC1 62a_100012355289_100000210303 [0,2,0,1,0,0|1,0,0]=4 47408 B12R1.8 CCCSCCC1CCOCC1 62a_100000210303_100011934994 [0,2,0,1,0,0|1,0,0]=4 47409 B12R1.8 CCCSCCC1CCOCC1 62a_100011934994_100000210303 [0,2,0,1,0,0|1,0,0]=4 47410 B12R1.8 CCCSCCC1OCCCO1 62a_100000210303_100000764188 [0,2,0,1,0,0|1,0,0]=4 47411 B12R1.8 CCCSCCC1OCCCO1 62a_100000764188_100000210303 [0,2,0,1,0,0|1,0,0]=4 47412 B12R1.8 CCCSCCN1CCCCC1 62a_100000210303_100000739454 [0,2,0,1,0,0|1,0,0]=4 47413 B12R1.8 CCCSCCN1CCCCC1 62a_100000739454_100000210303 [0,2,0,1,0,0|1,0,0]=4 47414 B12R1.8 CCCSCCN1CCOCC1 62a_100000210303_100000211760 [0,2,0,1,0,0|1,0,0]=4 47415 B12R1.8 CCCSCOC1CCCCC1 62a_100000210303_100011935260 [0,2,0,1,0,0|0,0,0]=3 47416 B12R1.8 CCCSCOC1CCCCC1 62a_100011935260_100000210303 [0,2,0,1,0,0|0,0,0]=3 47417 B12R1.8 CCNCCCC1CCCCC1 2230a_100011211642_100000210202 [0,2,0,1,0,0|1,0,0]=4 47418 B12R1.8 CCNCCCC1CCCCC1 2230a_100015525214_100011713725 [0,2,0,1,0,0|1,0,0]=4 47419 B12R1.8 CCNCCCC1CCCCC1 34a_100011211642_100000210202 [0,2,0,1,0,0|1,0,0]=4 47420 B12R1.8 CCNCCCN1CCCCC1 2230a_100015525214_100000690320 [0,2,0,1,0,0|1,0,0]=4 47421 B12R1.8 CCNCCCN1CCOCC1 2230a_100015525214_100000748698 [0,2,0,1,0,0|1,0,0]=4 47422 B12R1.8 CCNCCOC1CCCCC1 2230a_100015525214_100011211530 [0,2,0,1,0,0|0,0,0]=3 47423 B12R1.8 CCNCCOC1CCCCC1 34a_100015206981_100000210202 [0,2,0,1,0,0|0,0,0]=3 47424 B12R1.8 CCNCCOC1CCCCO1 2230a_100015525214_100000744793 [0,2,0,1,0,0|0,0,0]=3 47425 B12R1.8 CCOCCCC1CCCCC1 34a_100000198086_100000210202 [0,2,0,1,0,0|1,0,0]=4 47426 B12R1.8 CCOCCCC1CCCCC1 34a_100121572206_100011713725 [0,2,0,1,0,0|1,0,0]=4 47427 B12R1.8 CCOCCCC1CCCCC1 7a_100000198086_100000210202 [0,2,0,1,0,0|1,0,0]=4 47428 B12R1.8 CCOCCCC1CCCCN1 34a_100011934581_100000210202 [0,2,0,1,0,0|1,0,0]=4 47429 B12R1.8 CCOCCCC1CCCNC1 34a_100150707839_100000210202 [0,2,0,1,0,0|1,0,0]=4 47430 B12R1.8 CCOCCCC1CCNCC1 34a_100016988962_100000210202 [0,2,0,1,0,0|1,0,0]=4 47431 B12R1.8 CCOCCCN1CCCCC1 34a_100000212458_100000210202 [0,2,0,1,0,0|1,0,0]=4 47432 B12R1.8 CCOCCCN1CCCCC1 34a_100121572206_100000690320 [0,2,0,1,0,0|1,0,0]=4 47433 B12R1.8 CCOCCCN1CCCOC1 2230a_100000131196_100012232248 [0,2,0,1,0,0|1,0,0]=4 47434 B12R1.8 CCOCCCN1CCCOC1 269982a_100000131196_100012232248 [0,2,0,1,0,0|1,0,0]=4 47435 B12R1.8 CCOCCCN1CCCOC1 34a_100000131196_100012232248 [0,2,0,1,0,0|1,0,0]=4 47436 B12R1.8 CCOCCCN1CCOCC1 2230a_100015191051_100012232248 [0,2,0,1,0,0|1,0,0]=4 47437 B12R1.8 CCOCCCN1CCOCC1 269982a_100015191051_100012232248 [0,2,0,1,0,0|1,0,0]=4 47438 B12R1.8 CCOCCCN1CCOCC1 34a_100000212840_100000210202 [0,2,0,1,0,0|1,0,0]=4 47439 B12R1.8 CCOCCCN1CCOCC1 34a_100015191051_100012232248 [0,2,0,1,0,0|1,0,0]=4 47440 B12R1.8 CCOCCCN1CCOCC1 34a_100121572206_100000748698 [0,2,0,1,0,0|1,0,0]=4 47441 B12R1.8 CCOCCCN1CCSCC1 2230a_100000737611_100012232248 [0,2,0,1,0,0|1,0,0]=4 47442 B12R1.8 CCOCCCN1CCSCC1 269982a_100000737611_100012232248 [0,2,0,1,0,0|1,0,0]=4 47443 B12R1.8 CCOCCNC1CCCCC1 2230a_100000182618_100011215890 [0,2,0,1,0,0|1,0,0]=4 47444 B12R1.8 CCOCCNC1CCCCC1 270004a_102516460346_100000210434 [0,2,0,1,0,0|1,0,0]=4 47445 B12R1.8 CCOCCNC1CCCCC1 34a_100000182618_100000210147 [0,2,0,1,0,0|1,0,0]=4 47446 B12R1.8 CCOCCNC1CCCCC1 34a_100000200466_100000210202 [0,2,0,1,0,0|1,0,0]=4 47447 B12R1.8 CCOCCNC1CCCCC1 34a_102516460346_100000210327 [0,2,0,1,0,0|1,0,0]=4 47448 B12R1.8 CCOCCNC1CCCOC1 2230a_100000719290_100011215890 [0,2,0,1,0,0|1,0,0]=4 47449 B12R1.8 CCOCCNC1CCCOC1 270004a_102516460346_100000753404 [0,2,0,1,0,0|1,0,0]=4 47450 B12R1.8 CCOCCNC1CCCOC1 34a_100000719290_100000210147 [0,2,0,1,0,0|1,0,0]=4 47451 B12R1.8 CCOCCNC1CCCOC1 34a_102516460346_100000693364 [0,2,0,1,0,0|1,0,0]=4 47452 B12R1.8 CCOCCNC1CCCSC1 270004a_102516460346_100000057913 [0,2,0,1,0,0|1,0,0]=4 47453 B12R1.8 CCOCCNC1CCNCC1 270004a_102516460346_100015192401 [0,2,0,1,0,0|1,0,0]=4 47454 B12R1.8 CCOCCNC1CCOCC1 2230a_100000741149_100011215890 [0,2,0,1,0,0|1,0,0]=4 47455 B12R1.8 CCOCCNC1CCOCC1 270004a_102516460346_100011217826 [0,2,0,1,0,0|1,0,0]=4 47456 B12R1.8 CCOCCNC1CCOCC1 34a_100000708129_100000210202 [0,2,0,1,0,0|1,0,0]=4 47457 B12R1.8 CCOCCNC1CCOCC1 34a_100000741149_100000210147 [0,2,0,1,0,0|1,0,0]=4 47458 B12R1.8 CCOCCNC1CCSCC1 2230a_100000748639_100011215890 [0,2,0,1,0,0|1,0,0]=4 47459 B12R1.8 CCOCCNC1CCSCC1 270004a_102516460346_100000203788 [0,2,0,1,0,0|1,0,0]=4 47460 B12R1.8 CCOCCNC1CCSCC1 34a_100000748639_100000210147 [0,2,0,1,0,0|1,0,0]=4 47461 B12R1.8 CCOCCNC1CCSCC1 34a_102516460346_100000069128 [0,2,0,1,0,0|1,0,0]=4 47462 B12R1.8 CCOCCOC1C=CCCC1 34a_100011215024_100000210147 [0,2,0,1,0,0|0,0,1]=4 47463 B12R1.8 CCOCCOC1C=CCCC1 7a_100000210136_100000751183 [0,2,0,1,0,0|0,0,1]=4 47464 B12R1.8 CCOCCOC1CC=CCC1 34a_100000073881_100000210147 [0,2,0,1,0,0|0,0,1]=4 47465 B12R1.8 CCOCCOC1CCCCC1 34a_100000210136_100000210327 [0,2,0,1,0,0|0,0,0]=3 47466 B12R1.8 CCOCCOC1CCCCC1 34a_100000210231_100000210147 [0,2,0,1,0,0|0,0,0]=3 47467 B12R1.8 CCOCCOC1CCCCC1 34a_100011249652_100000210202 [0,2,0,1,0,0|0,0,0]=3 47468 B12R1.8 CCOCCOC1CCCCC1 34a_100121572206_100011211530 [0,2,0,1,0,0|0,0,0]=3 47469 B12R1.8 CCOCCOC1CCCCC1 7a_100000210136_100000210327 [0,2,0,1,0,0|0,0,0]=3 47470 B12R1.8 CCOCCOC1CCCCC1 7a_100000210231_100011215890 [0,2,0,1,0,0|0,0,0]=3 47471 B12R1.8 CCOCCOC1CCCCC1 7a_100011249652_100000210202 [0,2,0,1,0,0|0,0,0]=3 47472 B12R1.8 CCOCCOC1CCCCO1 34a_100000033831_100000210147 [0,2,0,1,0,0|0,0,0]=3 47473 B12R1.8 CCOCCOC1CCCCO1 34a_100000034223_100000210202 [0,2,0,1,0,0|0,0,0]=3 47474 B12R1.8 CCOCCOC1CCCCO1 34a_100121572206_100000744793 [0,2,0,1,0,0|0,0,0]=3 47475 B12R1.8 CCOCCOC1CCCCO1 7a_100000034223_100000210202 [0,2,0,1,0,0|0,0,0]=3 47476 B12R1.8 CCOCCOC1CCCOC1 34a_100000210136_100000693364 [0,2,0,1,0,0|0,0,0]=3 47477 B12R1.8 CCOCCOC1CCCOC1 34a_100000754041_100000210147 [0,2,0,1,0,0|0,0,0]=3 47478 B12R1.8 CCOCCOC1CCCOC1 7a_100000210136_100000693364 [0,2,0,1,0,0|0,0,0]=3 47479 B12R1.8 CCOCCOC1CCCSC1 7a_100015962668_100011215890 [0,2,0,1,0,0|0,0,0]=3 47480 B12R1.8 CCOCCOC1CCOCC1 34a_100000744328_100000210147 [0,2,0,1,0,0|0,0,0]=3 47481 B12R1.8 CCOCCOC1CCOCC1 7a_100000210136_100000686592 [0,2,0,1,0,0|0,0,0]=3 47482 B12R1.8 CCOCCOC1CCSCC1 34a_100000210136_100000069128 [0,2,0,1,0,0|0,0,0]=3 47483 B12R1.8 CCOCCOC1CCSCC1 34a_100000731022_100000210147 [0,2,0,1,0,0|0,0,0]=3 47484 B12R1.8 CCOCCOC1CCSCC1 7a_100000210136_100011500858 [0,2,0,1,0,0|0,0,0]=3 47485 B12R1.8 CCOCCOC1CCSCC1 7a_100000731022_100011215890 [0,2,0,1,0,0|0,0,0]=3 47486 B12R1.8 CCOCCSC1CCCCC1 62a_100000210147_100000210327 [0,2,0,1,0,0|0,1,0]=4 47487 B12R1.8 CCOCCSC1CCCCC1 62a_100000210327_100011215890 [0,2,0,1,0,0|0,1,0]=4 47488 B12R1.8 CCOCCSC1CCCOC1 62a_100000210147_100000693364 [0,2,0,1,0,0|0,1,0]=4 47489 B12R1.8 CCOCCSC1CCOCC1 62a_100000210147_100011324220 [0,2,0,1,0,0|0,1,0]=4 47490 B12R1.8 CCOCCSC1CCSCC1 62a_100000210147_100000069128 [0,2,0,1,0,0|0,1,0]=4 47491 B12R1.8 CCOCSCC1CCCCC1 62a_100000211423_100000739092 [0,2,0,1,0,0|1,0,0]=4 47492 B12R1.8 CCOCSCC1CCCCC1 62a_100000739092_100000211423 [0,2,0,1,0,0|1,0,0]=4 47493 B12R1.8 CCOCSCC1CCCCO1 62a_100000211543_100000739092 [0,2,0,1,0,0|0,0,0]=3 47494 B12R1.8 CCOCSCC1CCCCO1 62a_100000739092_100000211543 [0,2,0,1,0,0|0,0,0]=3 47495 B12R1.8 CCSCCCC1CCCCC1 62a_100000210202_100011713725 [0,2,0,1,0,0|1,0,0]=4 47496 B12R1.8 CCSCCCC1CCCCC1 62a_100011713725_100000210202 [0,2,0,1,0,0|1,0,0]=4 47497 B12R1.8 CCSCCCN1CCCCC1 62a_100000210202_100000007876 [0,2,0,1,0,0|1,0,0]=4 47498 B12R1.8 CCSCCCN1CCCCC1 62a_100132302099_100000210202 [0,2,0,1,0,0|1,0,0]=4 47499 B12R1.8 CCSCCCN1CCOCC1 62a_100000210202_100000748698 [0,2,0,1,0,0|1,0,0]=4 47500 B12R1.8 CCSCCNC1CCCCC1 2230a_100000182618_100000757381 [0,2,0,1,0,0|1,0,0]=4 47501 B12R1.8 CCSCCNC1CCCCC1 270004a_100000106463_100000210434 [0,2,0,1,0,0|1,0,0]=4 47502 B12R1.8 CCSCCNC1CCCCC1 34a_100000182618_100000757381 [0,2,0,1,0,0|1,0,0]=4 47503 B12R1.8 CCSCCNC1CCCOC1 2230a_100000719290_100000757381 [0,2,0,1,0,0|1,0,0]=4 47504 B12R1.8 CCSCCNC1CCCOC1 270004a_100000106463_100000753404 [0,2,0,1,0,0|1,0,0]=4 47505 B12R1.8 CCSCCNC1CCCOC1 34a_100000719290_100000757381 [0,2,0,1,0,0|1,0,0]=4 47506 B12R1.8 CCSCCNC1CCCSC1 270004a_100000106463_100000057913 [0,2,0,1,0,0|1,0,0]=4 47507 B12R1.8 CCSCCNC1CCNCC1 270004a_100000106463_100015192401 [0,2,0,1,0,0|1,0,0]=4 47508 B12R1.8 CCSCCNC1CCOCC1 2230a_100000741149_100000757381 [0,2,0,1,0,0|1,0,0]=4 47509 B12R1.8 CCSCCNC1CCOCC1 270004a_100000106463_100011217826 [0,2,0,1,0,0|1,0,0]=4 47510 B12R1.8 CCSCCNC1CCOCC1 34a_100000741149_100000757381 [0,2,0,1,0,0|1,0,0]=4 47511 B12R1.8 CCSCCNC1CCSCC1 2230a_100000748639_100000757381 [0,2,0,1,0,0|1,0,0]=4 47512 B12R1.8 CCSCCNC1CCSCC1 270004a_100000106463_100000203788 [0,2,0,1,0,0|1,0,0]=4 47513 B12R1.8 CCSCCNC1CCSCC1 34a_100000748639_100000757381 [0,2,0,1,0,0|1,0,0]=4 47514 B12R1.8 CCSCCOC1C=CCCC1 34a_100011215024_100000757381 [0,2,0,1,0,0|0,0,1]=4 47515 B12R1.8 CCSCCOC1C=CCCC1 7a_100000212035_100000751183 [0,2,0,1,0,0|0,0,1]=4 47516 B12R1.8 CCSCCOC1CC=CCC1 34a_100000073881_100000757381 [0,2,0,1,0,0|0,0,1]=4 47517 B12R1.8 CCSCCOC1CCCCC1 34a_100000210231_100000757381 [0,2,0,1,0,0|0,0,0]=3 47518 B12R1.8 CCSCCOC1CCCCC1 34a_100000212035_100000210327 [0,2,0,1,0,0|0,0,0]=3 47519 B12R1.8 CCSCCOC1CCCCC1 62a_100000210202_100011211530 [0,2,0,1,0,0|0,0,0]=3 47520 B12R1.8 CCSCCOC1CCCCC1 62a_100011211530_100000210202 [0,2,0,1,0,0|0,0,0]=3 47521 B12R1.8 CCSCCOC1CCCCC1 7a_100000210231_100000757381 [0,2,0,1,0,0|0,0,0]=3 47522 B12R1.8 CCSCCOC1CCCCC1 7a_100000212035_100000210327 [0,2,0,1,0,0|0,0,0]=3 47523 B12R1.8 CCSCCOC1CCCCO1 34a_100000033831_100000757381 [0,2,0,1,0,0|0,0,0]=3 47524 B12R1.8 CCSCCOC1CCCCO1 62a_100000210202_100000744793 [0,2,0,1,0,0|0,0,0]=3 47525 B12R1.8 CCSCCOC1CCCCO1 62a_100000744793_100000210202 [0,2,0,1,0,0|0,0,0]=3 47526 B12R1.8 CCSCCOC1CCCOC1 34a_100000212035_100000693364 [0,2,0,1,0,0|0,0,0]=3 47527 B12R1.8 CCSCCOC1CCCOC1 34a_100000754041_100000757381 [0,2,0,1,0,0|0,0,0]=3 47528 B12R1.8 CCSCCOC1CCCOC1 7a_100000212035_100000693364 [0,2,0,1,0,0|0,0,0]=3 47529 B12R1.8 CCSCCOC1CCCSC1 7a_100015962668_100000757381 [0,2,0,1,0,0|0,0,0]=3 47530 B12R1.8 CCSCCOC1CCOCC1 34a_100000744328_100000757381 [0,2,0,1,0,0|0,0,0]=3 47531 B12R1.8 CCSCCOC1CCOCC1 7a_100000212035_100000686592 [0,2,0,1,0,0|0,0,0]=3 47532 B12R1.8 CCSCCOC1CCSCC1 34a_100000212035_100000069128 [0,2,0,1,0,0|0,0,0]=3 47533 B12R1.8 CCSCCOC1CCSCC1 34a_100000731022_100000757381 [0,2,0,1,0,0|0,0,0]=3 47534 B12R1.8 CCSCCOC1CCSCC1 7a_100000212035_100011500858 [0,2,0,1,0,0|0,0,0]=3 47535 B12R1.8 CCSCCOC1CCSCC1 7a_100000731022_100000757381 [0,2,0,1,0,0|0,0,0]=3 47536 B12R1.8 CCSCCSC1CCCCC1 62a_100000210327_100000757381 [0,2,0,1,0,0|0,1,0]=4 47537 B12R1.8 CCSCCSC1CCCCC1 62a_100000757381_100000210327 [0,2,0,1,0,0|0,1,0]=4 47538 B12R1.8 CCSCCSC1CCCOC1 62a_100000757381_100000693364 [0,2,0,1,0,0|0,1,0]=4 47539 B12R1.8 CCSCCSC1CCOCC1 62a_100000757381_100011324220 [0,2,0,1,0,0|0,1,0]=4 47540 B12R1.8 CCSCCSC1CCSCC1 62a_100000757381_100000069128 [0,2,0,1,0,0|0,1,0]=4 47541 B12R1.8 CNCCCOC1CCCCC1 34a_100000205933_200000210301 [0,2,0,1,0,0|0,0,0]=3 47542 B12R1.8 CNCCCOC1CCCCC1 34a_100000213112_100000210327 [0,2,0,1,0,0|0,0,0]=3 47543 B12R1.8 CNCCCOC1CCCCO1 2230a_106832991635_100000700653 [0,2,0,1,0,0|0,0,0]=3 47544 B12R1.8 CNCCCOC1CCCCO1 34a_100102657272_100000700653 [0,2,0,1,0,0|0,0,0]=3 47545 B12R1.8 CNCCCOC1CCCCO1 7a_106832991635_100000700653 [0,2,0,1,0,0|0,0,0]=3 47546 B12R1.8 CNCCCOC1CCCOC1 34a_100000213112_100000693364 [0,2,0,1,0,0|0,0,0]=3 47547 B12R1.8 CNCCCOC1CCSCC1 34a_100000213112_100000069128 [0,2,0,1,0,0|0,0,0]=3 47548 B12R1.8 COCCCCC1CCCCC1 34a_100011215267_200000210301 [0,2,0,1,0,0|1,0,0]=4 47549 B12R1.8 COCCCCC1CCCCC1 7a_100011215267_200000210301 [0,2,0,1,0,0|1,0,0]=4 47550 B12R1.8 COCCCCC1CCNCC1 34a_100016989291_200000210301 [0,2,0,1,0,0|1,0,0]=4 47551 B12R1.8 COCCCCN1CCCOC1 2230a_100000131196_100000730899 [0,2,0,1,0,0|1,0,0]=4 47552 B12R1.8 COCCCCN1CCCOC1 269982a_100000131196_100000730899 [0,2,0,1,0,0|1,0,0]=4 47553 B12R1.8 COCCCCN1CCCOC1 34a_100000131196_100000755781 [0,2,0,1,0,0|1,0,0]=4 47554 B12R1.8 COCCCCN1CCOCC1 2230a_100015191051_100000730899 [0,2,0,1,0,0|1,0,0]=4 47555 B12R1.8 COCCCCN1CCOCC1 269982a_100015191051_100000730899 [0,2,0,1,0,0|1,0,0]=4 47556 B12R1.8 COCCCCN1CCOCC1 34a_100000723369_200000210301 [0,2,0,1,0,0|1,0,0]=4 47557 B12R1.8 COCCCCN1CCOCC1 34a_100015191051_100000755781 [0,2,0,1,0,0|1,0,0]=4 47558 B12R1.8 COCCCCN1CCSCC1 2230a_100000737611_100000730899 [0,2,0,1,0,0|1,0,0]=4 47559 B12R1.8 COCCCCN1CCSCC1 269982a_100000737611_100000730899 [0,2,0,1,0,0|1,0,0]=4 47560 B12R1.8 COCCCNC1CCCCC1 2230a_100000182618_100000740836 [0,2,0,1,0,0|1,0,0]=4 47561 B12R1.8 COCCCNC1CCCCC1 270004a_100150723488_100000210434 [0,2,0,1,0,0|1,0,0]=4 47562 B12R1.8 COCCCNC1CCCCC1 34a_100000182618_100000740836 [0,2,0,1,0,0|1,0,0]=4 47563 B12R1.8 COCCCNC1CCCCC1 34a_100150723488_100000210327 [0,2,0,1,0,0|1,0,0]=4 47564 B12R1.8 COCCCNC1CCCOC1 2230a_100000719290_100000740836 [0,2,0,1,0,0|1,0,0]=4 47565 B12R1.8 COCCCNC1CCCOC1 270004a_100150723488_100000753404 [0,2,0,1,0,0|1,0,0]=4 47566 B12R1.8 COCCCNC1CCCOC1 34a_100000719290_100000740836 [0,2,0,1,0,0|1,0,0]=4 47567 B12R1.8 COCCCNC1CCCOC1 34a_100150723488_100000693364 [0,2,0,1,0,0|1,0,0]=4 47568 B12R1.8 COCCCNC1CCCSC1 270004a_100150723488_100000057913 [0,2,0,1,0,0|1,0,0]=4 47569 B12R1.8 COCCCNC1CCNCC1 270004a_100150723488_100015192401 [0,2,0,1,0,0|1,0,0]=4 47570 B12R1.8 COCCCNC1CCOCC1 2230a_100000741149_100000740836 [0,2,0,1,0,0|1,0,0]=4 47571 B12R1.8 COCCCNC1CCOCC1 270004a_100150723488_100011217826 [0,2,0,1,0,0|1,0,0]=4 47572 B12R1.8 COCCCNC1CCOCC1 34a_100000741149_100000740836 [0,2,0,1,0,0|1,0,0]=4 47573 B12R1.8 COCCCNC1CCSCC1 2230a_100000748639_100000740836 [0,2,0,1,0,0|1,0,0]=4 47574 B12R1.8 COCCCNC1CCSCC1 270004a_100150723488_100000203788 [0,2,0,1,0,0|1,0,0]=4 47575 B12R1.8 COCCCNC1CCSCC1 34a_100000748639_100000740836 [0,2,0,1,0,0|1,0,0]=4 47576 B12R1.8 COCCCNC1CCSCC1 34a_100150723488_100000069128 [0,2,0,1,0,0|1,0,0]=4 47577 B12R1.8 COCCCOC1C=CCCC1 34a_100011215024_100000740836 [0,2,0,1,0,0|0,0,1]=4 47578 B12R1.8 COCCCOC1CC=CCC1 34a_100000073881_100000740836 [0,2,0,1,0,0|0,0,1]=4 47579 B12R1.8 COCCCOC1CCCCC1 34a_100000210231_100000740836 [0,2,0,1,0,0|0,0,0]=3 47580 B12R1.8 COCCCOC1CCCCC1 34a_100000740835_100000210327 [0,2,0,1,0,0|0,0,0]=3 47581 B12R1.8 COCCCOC1CCCCC1 7a_100000210231_100000740836 [0,2,0,1,0,0|0,0,0]=3 47582 B12R1.8 COCCCOC1CCCCO1 34a_100000033831_100000740836 [0,2,0,1,0,0|0,0,0]=3 47583 B12R1.8 COCCCOC1CCCCO1 34a_100138415774_100000700653 [0,2,0,1,0,0|0,0,0]=3 47584 B12R1.8 COCCCOC1CCCOC1 34a_100000740835_100000693364 [0,2,0,1,0,0|0,0,0]=3 47585 B12R1.8 COCCCOC1CCCOC1 34a_100000754041_100000740836 [0,2,0,1,0,0|0,0,0]=3 47586 B12R1.8 COCCCOC1CCCSC1 7a_100015962668_100000740836 [0,2,0,1,0,0|0,0,0]=3 47587 B12R1.8 COCCCOC1CCOCC1 34a_100000744328_100000740836 [0,2,0,1,0,0|0,0,0]=3 47588 B12R1.8 COCCCOC1CCSCC1 34a_100000731022_100000740836 [0,2,0,1,0,0|0,0,0]=3 47589 B12R1.8 COCCCOC1CCSCC1 34a_100000740835_100000069128 [0,2,0,1,0,0|0,0,0]=3 47590 B12R1.8 COCCCOC1CCSCC1 7a_100000731022_100000740836 [0,2,0,1,0,0|0,0,0]=3 47591 B12R1.8 COCCCSC1CCCCC1 62a_100000210327_100000709357 [0,2,0,1,0,0|0,1,0]=4 47592 B12R1.8 COCCCSC1CCCCC1 62a_100000709357_100000210327 [0,2,0,1,0,0|0,1,0]=4 47593 B12R1.8 COCCCSC1CCCOC1 62a_100000709357_100000693364 [0,2,0,1,0,0|0,1,0]=4 47594 B12R1.8 COCCCSC1CCOCC1 62a_100000709357_100011324220 [0,2,0,1,0,0|0,1,0]=4 47595 B12R1.8 COCCCSC1CCSCC1 62a_100000709357_100000069128 [0,2,0,1,0,0|0,1,0]=4 47596 B12R1.8 COCCNCC1CCCCC1 2230a_100000209980_100000211423 [0,2,0,1,0,0|1,0,0]=4 47597 B12R1.8 COCCNCC1CCCCC1 2230a_100000210473_100011201679 [0,2,0,1,0,0|1,0,0]=4 47598 B12R1.8 COCCNCC1CCCCC1 269862a_100000209980_100000211278 [0,2,0,1,0,0|1,0,0]=4 47599 B12R1.8 COCCNCC1CCCCC1 34a_100000210473_100011201679 [0,2,0,1,0,0|1,0,0]=4 47600 B12R1.8 COCCNCC1CCCCO1 2230a_100000174945_100011201679 [0,2,0,1,0,0|0,0,0]=3 47601 B12R1.8 COCCNCC1CCCCO1 2230a_100000209980_100000211543 [0,2,0,1,0,0|0,0,0]=3 47602 B12R1.8 COCCNCC1CCCCO1 34a_100000174945_100011201679 [0,2,0,1,0,0|0,0,0]=3 47603 B12R1.8 COCCNC[C@H]1COCCO1 2230a_100010981119_100011201679 [0,2,0,1,0,0|1,0,0]=4 47604 B12R1.8 COCCNC[C@H]1COCCO1 34a_100010981119_100011201679 [0,2,0,1,0,0|1,0,0]=4 47605 B12R1.8 COCCOCC1CC=CCC1 34a_100000210713_100011201679 [0,2,0,1,0,0|1,0,0]=4 47606 B12R1.8 COCCOCC1CCCCC1 34a_100000210237_100000211423 [0,2,0,1,0,0|1,0,0]=4 47607 B12R1.8 COCCOCC1CCCCC1 34a_100000212181_100011201679 [0,2,0,1,0,0|1,0,0]=4 47608 B12R1.8 COCCOCC1CCCCC1 7a_100000212181_100000233755 [0,2,0,1,0,0|1,0,0]=4 47609 B12R1.8 COCCOCC1CCCCN1 34a_100000210821_100011201679 [0,2,0,1,0,0|1,0,0]=4 47610 B12R1.8 COCCOCC1CCCCO1 34a_100000210237_100000211543 [0,2,0,1,0,0|0,0,0]=3 47611 B12R1.8 COCCOCC1CCCCO1 34a_100000211370_100011201679 [0,2,0,1,0,0|0,0,0]=3 47612 B12R1.8 COCCOCC1CCCCO1 7a_100000211370_100000233755 [0,2,0,1,0,0|0,0,0]=3 47613 B12R1.8 COCCOCC1CCCNC1 34a_100000211344_100011201679 [0,2,0,1,0,0|1,0,0]=4 47614 B12R1.8 COCCOCC1CCCOC1 34a_100000210237_100000741521 [0,2,0,1,0,0|1,0,0]=4 47615 B12R1.8 COCCOCC1CCCOC1 34a_100000741520_100011201679 [0,2,0,1,0,0|1,0,0]=4 47616 B12R1.8 COCCOCC1CCNCC1 34a_100000738675_100011201679 [0,2,0,1,0,0|1,0,0]=4 47617 B12R1.8 COCCOCC1CCOCC1 34a_100000210237_100000754603 [0,2,0,1,0,0|1,0,0]=4 47618 B12R1.8 COCCOCC1CCOCC1 34a_100000749013_100011201679 [0,2,0,1,0,0|1,0,0]=4 47619 B12R1.8 COCCOCC1CCSCC1 34a_100000070558_100011201679 [0,2,0,1,0,0|1,0,0]=4 47620 B12R1.8 COCCOCC1CCSCC1 7a_100000070558_100000233755 [0,2,0,1,0,0|1,0,0]=4 47621 B12R1.8 COCCOCN1CCCOC1 2230a_100000131196_100000231047 [0,2,0,1,0,0|1,0,0]=4 47622 B12R1.8 COCCOCN1CCCOC1 269982a_100000131196_100000231047 [0,2,0,1,0,0|1,0,0]=4 47623 B12R1.8 COCCOCN1CCOCC1 2230a_100015191051_100000231047 [0,2,0,1,0,0|1,0,0]=4 47624 B12R1.8 COCCOCN1CCOCC1 269982a_100015191051_100000231047 [0,2,0,1,0,0|1,0,0]=4 47625 B12R1.8 COCCOCN1CCSCC1 2230a_100000737611_100000231047 [0,2,0,1,0,0|1,0,0]=4 47626 B12R1.8 COCCOCN1CCSCC1 269982a_100000737611_100000231047 [0,2,0,1,0,0|1,0,0]=4 47627 B12R1.8 COCCOC[C@@H]1CNCCO1 34a_100015189573_100011201679 [0,2,0,1,0,0|1,0,0]=4 47628 B12R1.8 COCCOC[C@@H]1COCCN1 34a_100000717676_100011201679 [0,2,0,1,0,0|1,0,0]=4 47629 B12R1.8 COCCOC[C@H]1COCCO1 34a_100009875890_100011201679 [0,2,0,1,0,0|1,0,0]=4 47630 B12R1.8 COCCSCC1CCCCC1 62a_100000211423_100000233755 [0,2,0,1,0,0|1,0,0]=4 47631 B12R1.8 COCCSCC1CCCCC1 62a_100000233755_100000211423 [0,2,0,1,0,0|1,0,0]=4 47632 B12R1.8 COCCSCC1CCCCO1 62a_100000211543_100000233755 [0,2,0,1,0,0|0,0,0]=3 47633 B12R1.8 COCCSCC1CCCCO1 62a_100000233755_100000211543 [0,2,0,1,0,0|0,0,0]=3 47634 B12R1.8 COCNCCC1CCCCC1 2230a_100000738074_100000766300 [0,2,0,1,0,0|1,0,0]=4 47635 B12R1.8 COCNCCC1CCCCO1 2230a_100015183643_100000766300 [0,2,0,1,0,0|0,0,0]=3 47636 B12R1.8 COCSCCC1CCCCC1 62a_100000766300_100012355289 [0,2,0,1,0,0|1,0,0]=4 47637 B12R1.8 COCSCCC1CCCCC1 62a_100012355289_100000766300 [0,2,0,1,0,0|1,0,0]=4 47638 B12R1.8 COCSCCC1OCCCO1 62a_100000764188_100000766300 [0,2,0,1,0,0|1,0,0]=4 47639 B12R1.8 COCSCCC1OCCCO1 62a_100000766300_100000764188 [0,2,0,1,0,0|1,0,0]=4 47640 B12R1.8 COCSCCN1CCCCC1 62a_100000739454_100000766300 [0,2,0,1,0,0|1,0,0]=4 47641 B12R1.8 COCSCCN1CCCCC1 62a_100000766300_100000739454 [0,2,0,1,0,0|1,0,0]=4 47642 B12R1.8 COCSCOC1CCCCC1 62a_100000766300_100011935260 [0,2,0,1,0,0|1,0,0]=4 47643 B12R1.8 COCSCOC1CCCCC1 62a_100011935260_100000766300 [0,2,0,1,0,0|1,0,0]=4 47644 B12R1.8 CSCCCNC1CCCCC1 270004a_100000749238_100000210434 [0,2,0,1,0,0|1,0,0]=4 47645 B12R1.8 CSCCCNC1CCCOC1 270004a_100000749238_100000753404 [0,2,0,1,0,0|1,0,0]=4 47646 B12R1.8 CSCCCNC1CCCSC1 270004a_100000749238_100000057913 [0,2,0,1,0,0|1,0,0]=4 47647 B12R1.8 CSCCCNC1CCNCC1 270004a_100000749238_100015192401 [0,2,0,1,0,0|1,0,0]=4 47648 B12R1.8 CSCCCNC1CCOCC1 270004a_100000749238_100011217826 [0,2,0,1,0,0|1,0,0]=4 47649 B12R1.8 CSCCCNC1CCSCC1 270004a_100000749238_100000203788 [0,2,0,1,0,0|1,0,0]=4 47650 B12R1.8 CSCCCOC1C=CCCC1 7a_100000690336_100000751183 [0,2,0,1,0,0|0,0,1]=4 47651 B12R1.8 CSCCCOC1CCCCC1 34a_100000690336_100000210327 [0,2,0,1,0,0|0,0,0]=3 47652 B12R1.8 CSCCCOC1CCCCC1 7a_100000690336_100000210327 [0,2,0,1,0,0|0,0,0]=3 47653 B12R1.8 CSCCCOC1CCCCO1 62a_100000700653_200000210301 [0,2,0,1,0,0|0,0,0]=3 47654 B12R1.8 CSCCCOC1CCCCO1 62a_200000210301_100000700653 [0,2,0,1,0,0|0,0,0]=3 47655 B12R1.8 CSCCCOC1CCCOC1 34a_100000690336_100000693364 [0,2,0,1,0,0|0,0,0]=3 47656 B12R1.8 CSCCCOC1CCCOC1 7a_100000690336_100000693364 [0,2,0,1,0,0|0,0,0]=3 47657 B12R1.8 CSCCCOC1CCOCC1 7a_100000690336_100000686592 [0,2,0,1,0,0|0,0,0]=3 47658 B12R1.8 CSCCCOC1CCSCC1 34a_100000690336_100000069128 [0,2,0,1,0,0|0,0,0]=3 47659 B12R1.8 CSCCCOC1CCSCC1 7a_100000690336_100011500858 [0,2,0,1,0,0|0,0,0]=3 47660 B12R1.8 CSCCNCC1CCCCC1 2230a_100000210473_100000751147 [0,2,0,1,0,0|1,0,0]=4 47661 B12R1.8 CSCCNCC1CCCCC1 2230a_100020590264_100000211423 [0,2,0,1,0,0|1,0,0]=4 47662 B12R1.8 CSCCNCC1CCCCC1 269862a_100020590264_100000211278 [0,2,0,1,0,0|1,0,0]=4 47663 B12R1.8 CSCCNCC1CCCCC1 34a_100000210473_100000212216 [0,2,0,1,0,0|1,0,0]=4 47664 B12R1.8 CSCCNCC1CCCCO1 2230a_100000174945_100000751147 [0,2,0,1,0,0|0,0,0]=3 47665 B12R1.8 CSCCNCC1CCCCO1 2230a_100020590264_100000211543 [0,2,0,1,0,0|0,0,0]=3 47666 B12R1.8 CSCCNCC1CCCCO1 34a_100000174945_100000212216 [0,2,0,1,0,0|0,0,0]=3 47667 B12R1.8 CSCCNC[C@H]1COCCO1 2230a_100010981119_100000751147 [0,2,0,1,0,0|1,0,0]=4 47668 B12R1.8 CSCCNC[C@H]1COCCO1 34a_100010981119_100000212216 [0,2,0,1,0,0|1,0,0]=4 47669 B12R1.8 CSCCOCC1CC=CCC1 34a_100000210713_100000212216 [0,2,0,1,0,0|1,0,0]=4 47670 B12R1.8 CSCCOCC1CCCCC1 34a_100000212181_100000212216 [0,2,0,1,0,0|1,0,0]=4 47671 B12R1.8 CSCCOCC1CCCCC1 34a_100000230434_100000211423 [0,2,0,1,0,0|1,0,0]=4 47672 B12R1.8 CSCCOCC1CCCCC1 7a_100000212181_100000212216 [0,2,0,1,0,0|1,0,0]=4 47673 B12R1.8 CSCCOCC1CCCCC1 7a_100000230434_100000211423 [0,2,0,1,0,0|1,0,0]=4 47674 B12R1.8 CSCCOCC1CCCCN1 34a_100000210821_100000212216 [0,2,0,1,0,0|1,0,0]=4 47675 B12R1.8 CSCCOCC1CCCCO1 34a_100000211370_100000212216 [0,2,0,1,0,0|0,0,0]=3 47676 B12R1.8 CSCCOCC1CCCCO1 34a_100000230434_100000211543 [0,2,0,1,0,0|0,0,0]=3 47677 B12R1.8 CSCCOCC1CCCCO1 7a_100000211370_100000212216 [0,2,0,1,0,0|0,0,0]=3 47678 B12R1.8 CSCCOCC1CCCCO1 7a_100000230434_100000211543 [0,2,0,1,0,0|0,0,0]=3 47679 B12R1.8 CSCCOCC1CCCNC1 34a_100000211344_100000212216 [0,2,0,1,0,0|1,0,0]=4 47680 B12R1.8 CSCCOCC1CCCOC1 34a_100000230434_100000741521 [0,2,0,1,0,0|1,0,0]=4 47681 B12R1.8 CSCCOCC1CCCOC1 34a_100000741520_100000212216 [0,2,0,1,0,0|1,0,0]=4 47682 B12R1.8 CSCCOCC1CCCOC1 7a_100000230434_100000741521 [0,2,0,1,0,0|1,0,0]=4 47683 B12R1.8 CSCCOCC1CCNCC1 34a_100000738675_100000212216 [0,2,0,1,0,0|1,0,0]=4 47684 B12R1.8 CSCCOCC1CCOCC1 34a_100000230434_100000754603 [0,2,0,1,0,0|1,0,0]=4 47685 B12R1.8 CSCCOCC1CCOCC1 34a_100000749013_100000212216 [0,2,0,1,0,0|1,0,0]=4 47686 B12R1.8 CSCCOCC1CCOCC1 7a_100000230434_100000754603 [0,2,0,1,0,0|1,0,0]=4 47687 B12R1.8 CSCCOCC1CCSCC1 34a_100000070558_100000212216 [0,2,0,1,0,0|1,0,0]=4 47688 B12R1.8 CSCCOCC1CCSCC1 7a_100000070558_100000212216 [0,2,0,1,0,0|1,0,0]=4 47689 B12R1.8 CSCCOC[C@@H]1CNCCO1 34a_100015189573_100000212216 [0,2,0,1,0,0|1,0,0]=4 47690 B12R1.8 CSCCOC[C@@H]1COCCN1 34a_100000717676_100000212216 [0,2,0,1,0,0|1,0,0]=4 47691 B12R1.8 CSCCOC[C@H]1COCCO1 34a_100009875890_100000212216 [0,2,0,1,0,0|1,0,0]=4 47692 B12R1.8 CSCCSCC1CCCCC1 62a_100000211423_100000751147 [0,2,0,1,0,0|1,0,0]=4 47693 B12R1.8 CSCCSCC1CCCCC1 62a_100000212216_100000211423 [0,2,0,1,0,0|1,0,0]=4 47694 B12R1.8 CSCCSCC1CCCCO1 62a_100000211543_100000751147 [0,2,0,1,0,0|0,0,0]=3 47695 B12R1.8 CSCCSCC1CCCCO1 62a_100000212216_100000211543 [0,2,0,1,0,0|0,0,0]=3 47696 B12R1.8 CSCNCCC1CCCCC1 2230a_100000738074_100011218213 [0,2,0,1,0,0|1,0,0]=4 47697 B12R1.8 CSCNCCC1CCCCC1 34a_100000738074_100011218213 [0,2,0,1,0,0|1,0,0]=4 47698 B12R1.8 CSCNCCC1CCCCO1 2230a_100015183643_100011218213 [0,2,0,1,0,0|0,0,0]=3 47699 B12R1.8 CSCNCCC1CCCCO1 34a_100015183643_100011218213 [0,2,0,1,0,0|0,0,0]=3 47700 B12R1.8 CSCOCCC1CCCCC1 34a_100011217863_100011218213 [0,2,0,1,0,0|1,0,0]=4 47701 B12R1.8 CSCOCCC1CCCCN1 34a_100000211664_100011218213 [0,2,0,1,0,0|1,0,0]=4 47702 B12R1.8 CSCSCCC1CCCCC1 62a_100011218213_100012355289 [0,2,0,1,0,0|1,0,0]=4 47703 B12R1.8 CSCSCCC1CCCCC1 62a_100012355289_100011218213 [0,2,0,1,0,0|1,0,0]=4 47704 B12R1.8 CSCSCCC1OCCCO1 62a_100000764188_100011218213 [0,2,0,1,0,0|1,0,0]=4 47705 B12R1.8 CSCSCCC1OCCCO1 62a_100011218213_100000764188 [0,2,0,1,0,0|1,0,0]=4 47706 B12R1.8 CSCSCCN1CCCCC1 62a_100000739454_100011218213 [0,2,0,1,0,0|1,0,0]=4 47707 B12R1.8 CSCSCCN1CCCCC1 62a_100011218213_100000739454 [0,2,0,1,0,0|1,0,0]=4 47708 B12R1.8 CSCSCOC1CCCCC1 62a_100011218213_100011935260 [0,2,0,1,0,0|1,0,0]=4 47709 B12R1.8 CSCSCOC1CCCCC1 62a_100011935260_100011218213 [0,2,0,1,0,0|1,0,0]=4 47710 B12R1.8 ClCCCCOC1C=CCCC1 7a_100000210776_100000751183 [0,2,0,1,0,0|0,0,1]=4 47711 B12R1.8 ClCCCCOC1CCCCC1 34a_100000210776_100000210327 [0,2,0,1,0,0|0,0,0]=3 47712 B12R1.8 ClCCCCOC1CCCCC1 7a_100000210776_100000210327 [0,2,0,1,0,0|0,0,0]=3 47713 B12R1.8 ClCCCCOC1CCCOC1 34a_100000210776_100000693364 [0,2,0,1,0,0|0,0,0]=3 47714 B12R1.8 ClCCCCOC1CCCOC1 7a_100000210776_100000693364 [0,2,0,1,0,0|0,0,0]=3 47715 B12R1.8 ClCCCCOC1CCOCC1 7a_100000210776_100000686592 [0,2,0,1,0,0|0,0,0]=3 47716 B12R1.8 ClCCCCOC1CCSCC1 34a_100000210776_100000069128 [0,2,0,1,0,0|0,0,0]=3 47717 B12R1.8 ClCCCCOC1CCSCC1 7a_100000210776_100011500858 [0,2,0,1,0,0|0,0,0]=3 47718 B12R1.8 ClCCCOCC1CCCCC1 34a_100000230001_100000211423 [0,2,0,1,0,0|1,0,0]=4 47719 B12R1.8 ClCCCOCC1CCCCO1 34a_100000230001_100000211543 [0,2,0,1,0,0|0,0,0]=3 47720 B12R1.8 ClCCCOCC1CCCOC1 34a_100000230001_100000741521 [0,2,0,1,0,0|1,0,0]=4 47721 B12R1.8 ClCCCOCC1CCOCC1 34a_100000230001_100000754603 [0,2,0,1,0,0|1,0,0]=4 47722 B12R1.8 FCCCCCN1CCCOC1 2230a_100000131196_100000729378 [0,2,0,1,0,0|1,0,0]=4 47723 B12R1.8 FCCCCCN1CCCOC1 269982a_100000131196_100000729378 [0,2,0,1,0,0|1,0,0]=4 47724 B12R1.8 FCCCCCN1CCCOC1 34a_100000131196_100000729378 [0,2,0,1,0,0|1,0,0]=4 47725 B12R1.8 FCCCCCN1CCOCC1 2230a_100015191051_100000729378 [0,2,0,1,0,0|1,0,0]=4 47726 B12R1.8 FCCCCCN1CCOCC1 269982a_100015191051_100000729378 [0,2,0,1,0,0|1,0,0]=4 47727 B12R1.8 FCCCCCN1CCOCC1 34a_100015191051_100000729378 [0,2,0,1,0,0|1,0,0]=4 47728 B12R1.8 FCCCCCN1CCSCC1 2230a_100000737611_100000729378 [0,2,0,1,0,0|1,0,0]=4 47729 B12R1.8 FCCCCCN1CCSCC1 269982a_100000737611_100000729378 [0,2,0,1,0,0|1,0,0]=4 47730 B12R1.8 FCCCCNC1CCCCC1 2230a_100000182618_100000729493 [0,2,0,1,0,0|1,0,0]=4 47731 B12R1.8 FCCCCNC1CCCCC1 34a_100000182618_100000729493 [0,2,0,1,0,0|1,0,0]=4 47732 B12R1.8 FCCCCNC1CCCOC1 2230a_100000719290_100000729493 [0,2,0,1,0,0|1,0,0]=4 47733 B12R1.8 FCCCCNC1CCCOC1 34a_100000719290_100000729493 [0,2,0,1,0,0|1,0,0]=4 47734 B12R1.8 FCCCCNC1CCOCC1 2230a_100000741149_100000729493 [0,2,0,1,0,0|1,0,0]=4 47735 B12R1.8 FCCCCNC1CCOCC1 34a_100000741149_100000729493 [0,2,0,1,0,0|1,0,0]=4 47736 B12R1.8 FCCCCNC1CCSCC1 2230a_100000748639_100000729493 [0,2,0,1,0,0|1,0,0]=4 47737 B12R1.8 FCCCCNC1CCSCC1 34a_100000748639_100000729493 [0,2,0,1,0,0|1,0,0]=4 47738 B12R1.8 FCCCCOC1C=CCCC1 34a_100011215024_100000729493 [0,2,0,1,0,0|0,0,1]=4 47739 B12R1.8 FCCCCOC1C=CCCC1 7a_100011995726_100000751183 [0,2,0,1,0,0|0,0,1]=4 47740 B12R1.8 FCCCCOC1CC=CCC1 34a_100000073881_100000729493 [0,2,0,1,0,0|0,0,1]=4 47741 B12R1.8 FCCCCOC1CCCCC1 34a_100000210231_100000729493 [0,2,0,1,0,0|0,0,0]=3 47742 B12R1.8 FCCCCOC1CCCCC1 34a_100011995726_100000210327 [0,2,0,1,0,0|0,0,0]=3 47743 B12R1.8 FCCCCOC1CCCCC1 7a_100000210231_100000729493 [0,2,0,1,0,0|0,0,0]=3 47744 B12R1.8 FCCCCOC1CCCCC1 7a_100011995726_100000210327 [0,2,0,1,0,0|0,0,0]=3 47745 B12R1.8 FCCCCOC1CCCCO1 34a_100000033831_100000729493 [0,2,0,1,0,0|0,0,0]=3 47746 B12R1.8 FCCCCOC1CCCOC1 34a_100000754041_100000729493 [0,2,0,1,0,0|0,0,0]=3 47747 B12R1.8 FCCCCOC1CCCOC1 34a_100011995726_100000693364 [0,2,0,1,0,0|0,0,0]=3 47748 B12R1.8 FCCCCOC1CCCOC1 7a_100011995726_100000693364 [0,2,0,1,0,0|0,0,0]=3 47749 B12R1.8 FCCCCOC1CCCSC1 7a_100015962668_100000729493 [0,2,0,1,0,0|0,0,0]=3 47750 B12R1.8 FCCCCOC1CCOCC1 34a_100000744328_100000729493 [0,2,0,1,0,0|0,0,0]=3 47751 B12R1.8 FCCCCOC1CCOCC1 7a_100011995726_100000686592 [0,2,0,1,0,0|0,0,0]=3 47752 B12R1.8 FCCCCOC1CCSCC1 34a_100000731022_100000729493 [0,2,0,1,0,0|0,0,0]=3 47753 B12R1.8 FCCCCOC1CCSCC1 34a_100011995726_100000069128 [0,2,0,1,0,0|0,0,0]=3 47754 B12R1.8 FCCCCOC1CCSCC1 7a_100000731022_100000729493 [0,2,0,1,0,0|0,0,0]=3 47755 B12R1.8 FCCCCOC1CCSCC1 7a_100011995726_100011500858 [0,2,0,1,0,0|0,0,0]=3 47756 B12R1.8 FCCCCSC1CCCCC1 62a_100000210327_100000729493 [0,2,0,1,0,0|0,1,0]=4 47757 B12R1.8 FCCCCSC1CCCCC1 62a_100000729493_100000210327 [0,2,0,1,0,0|0,1,0]=4 47758 B12R1.8 FCCCCSC1CCCOC1 62a_100000729493_100000693364 [0,2,0,1,0,0|0,1,0]=4 47759 B12R1.8 FCCCCSC1CCOCC1 62a_100000729493_100011324220 [0,2,0,1,0,0|0,1,0]=4 47760 B12R1.8 FCCCCSC1CCSCC1 62a_100000729493_100000069128 [0,2,0,1,0,0|0,1,0]=4 47761 B12R1.8 FCCCNCC1CCCCC1 2230a_100000210473_100011934791 [0,2,0,1,0,0|1,0,0]=4 47762 B12R1.8 FCCCNCC1CCCCC1 2230a_100015189416_100000211423 [0,2,0,1,0,0|1,0,0]=4 47763 B12R1.8 FCCCNCC1CCCCC1 269862a_100015189416_100000211278 [0,2,0,1,0,0|1,0,0]=4 47764 B12R1.8 FCCCNCC1CCCCC1 34a_100000210473_100011934791 [0,2,0,1,0,0|1,0,0]=4 47765 B12R1.8 FCCCNCC1CCCCC1 34a_100015189416_100000211423 [0,2,0,1,0,0|1,0,0]=4 47766 B12R1.8 FCCCNCC1CCCCO1 2230a_100000174945_100011934791 [0,2,0,1,0,0|0,0,0]=3 47767 B12R1.8 FCCCNCC1CCCCO1 2230a_100015189416_100000211543 [0,2,0,1,0,0|0,0,0]=3 47768 B12R1.8 FCCCNCC1CCCCO1 34a_100000174945_100011934791 [0,2,0,1,0,0|0,0,0]=3 47769 B12R1.8 FCCCNCC1CCCCO1 34a_100015189416_100000211543 [0,2,0,1,0,0|0,0,0]=3 47770 B12R1.8 FCCCNC[C@H]1COCCO1 2230a_100010981119_100011934791 [0,2,0,1,0,0|1,0,0]=4 47771 B12R1.8 FCCCNC[C@H]1COCCO1 34a_100010981119_100011934791 [0,2,0,1,0,0|1,0,0]=4 47772 B12R1.8 FCCCOCC1CC=CCC1 34a_100000210713_100011934791 [0,2,0,1,0,0|1,0,0]=4 47773 B12R1.8 FCCCOCC1CCCCC1 34a_100000212181_100011934791 [0,2,0,1,0,0|1,0,0]=4 47774 B12R1.8 FCCCOCC1CCCCC1 34a_100000759539_100000211423 [0,2,0,1,0,0|1,0,0]=4 47775 B12R1.8 FCCCOCC1CCCCC1 7a_100000212181_100011934791 [0,2,0,1,0,0|1,0,0]=4 47776 B12R1.8 FCCCOCC1CCCCN1 34a_100000210821_100011934791 [0,2,0,1,0,0|1,0,0]=4 47777 B12R1.8 FCCCOCC1CCCCO1 34a_100000211370_100011934791 [0,2,0,1,0,0|0,0,0]=3 47778 B12R1.8 FCCCOCC1CCCCO1 34a_100000759539_100000211543 [0,2,0,1,0,0|0,0,0]=3 47779 B12R1.8 FCCCOCC1CCCCO1 7a_100000211370_100011934791 [0,2,0,1,0,0|0,0,0]=3 47780 B12R1.8 FCCCOCC1CCCNC1 34a_100000211344_100011934791 [0,2,0,1,0,0|1,0,0]=4 47781 B12R1.8 FCCCOCC1CCCOC1 34a_100000741520_100011934791 [0,2,0,1,0,0|1,0,0]=4 47782 B12R1.8 FCCCOCC1CCCOC1 34a_100000759539_100000741521 [0,2,0,1,0,0|1,0,0]=4 47783 B12R1.8 FCCCOCC1CCNCC1 34a_100000738675_100011934791 [0,2,0,1,0,0|1,0,0]=4 47784 B12R1.8 FCCCOCC1CCOCC1 34a_100000749013_100011934791 [0,2,0,1,0,0|1,0,0]=4 47785 B12R1.8 FCCCOCC1CCOCC1 34a_100000759539_100000754603 [0,2,0,1,0,0|1,0,0]=4 47786 B12R1.8 FCCCOCC1CCSCC1 34a_100000070558_100011934791 [0,2,0,1,0,0|1,0,0]=4 47787 B12R1.8 FCCCOCC1CCSCC1 7a_100000070558_100011934791 [0,2,0,1,0,0|1,0,0]=4 47788 B12R1.8 FCCCOC[C@@H]1CNCCO1 34a_100015189573_100011934791 [0,2,0,1,0,0|1,0,0]=4 47789 B12R1.8 FCCCOC[C@@H]1COCCN1 34a_100000717676_100011934791 [0,2,0,1,0,0|1,0,0]=4 47790 B12R1.8 FCCCOC[C@H]1COCCO1 34a_100009875890_100011934791 [0,2,0,1,0,0|1,0,0]=4 47791 B12R1.8 FCCCSCC1CCCCC1 62a_100000211423_100011934791 [0,2,0,1,0,0|1,0,0]=4 47792 B12R1.8 FCCCSCC1CCCCC1 62a_100011934791_100000211423 [0,2,0,1,0,0|1,0,0]=4 47793 B12R1.8 FCCCSCC1CCCCO1 62a_100000211543_100011934791 [0,2,0,1,0,0|0,0,0]=3 47794 B12R1.8 FCCCSCC1CCCCO1 62a_100011934791_100000211543 [0,2,0,1,0,0|0,0,0]=3 47795 B12R1.8 FCCNCCC1CCCCC1 2230a_100000738074_100011217306 [0,2,0,1,0,0|1,0,0]=4 47796 B12R1.8 FCCNCCC1CCCCC1 34a_100000724931_100011209188 [0,2,0,1,0,0|1,0,0]=4 47797 B12R1.8 FCCNCCC1CCCCC1 34a_100000738074_100011217306 [0,2,0,1,0,0|1,0,0]=4 47798 B12R1.8 FCCNCCC1CCCCO1 2230a_100015183643_100011217306 [0,2,0,1,0,0|0,0,0]=3 47799 B12R1.8 FCCNCCC1CCCCO1 34a_100015183643_100011217306 [0,2,0,1,0,0|0,0,0]=3 47800 B12R1.8 FCCNCCC1OCCCO1 34a_100000724931_100000764188 [0,2,0,1,0,0|1,0,0]=4 47801 B12R1.8 FCCNCCN1CCCCC1 34a_100000724931_100000739454 [0,2,0,1,0,0|1,0,0]=4 47802 B12R1.8 FCCNCOC1CCCCC1 34a_100000724931_100011935260 [0,2,0,1,0,0|1,0,0]=4 47803 B12R1.8 FCCOCCC1CCCCC1 34a_100011217863_100011217306 [0,2,0,1,0,0|1,0,0]=4 47804 B12R1.8 FCCOCCC1CCCCC1 7a_100011217863_100011217306 [0,2,0,1,0,0|1,0,0]=4 47805 B12R1.8 FCCOCCC1CCCCN1 34a_100000211664_100011217306 [0,2,0,1,0,0|1,0,0]=4 47806 B12R1.8 FCCSCCC1CCCCC1 62a_100011217306_100012355289 [0,2,0,1,0,0|1,0,0]=4 47807 B12R1.8 FCCSCCC1CCCCC1 62a_100012355289_100011217306 [0,2,0,1,0,0|1,0,0]=4 47808 B12R1.8 FCCSCCC1OCCCO1 62a_100000764188_100011217306 [0,2,0,1,0,0|1,0,0]=4 47809 B12R1.8 FCCSCCC1OCCCO1 62a_100011217306_100000764188 [0,2,0,1,0,0|1,0,0]=4 47810 B12R1.8 FCCSCCN1CCCCC1 62a_100000739454_100011217306 [0,2,0,1,0,0|1,0,0]=4 47811 B12R1.8 FCCSCCN1CCCCC1 62a_100011217306_100000739454 [0,2,0,1,0,0|1,0,0]=4 47812 B12R1.8 FCCSCOC1CCCCC1 62a_100011217306_100011935260 [0,2,0,1,0,0|1,0,0]=4 47813 B12R1.8 FCCSCOC1CCCCC1 62a_100011935260_100011217306 [0,2,0,1,0,0|1,0,0]=4 47814 B12R1.8 FCNCCCC1CCCCC1 34a_100011211642_100015361967 [0,2,0,1,0,0|1,0,0]=4 47815 B12R1.8 FCNCCOC1CCCCC1 34a_100015206981_100015361967 [0,2,0,1,0,0|1,0,0]=4 47816 B12R1.8 FCOCCCC1CCCCC1 34a_100000198086_100015361967 [0,2,0,1,0,0|1,0,0]=4 47817 B12R1.8 FCOCCCC1CCCCC1 7a_100000198086_100015361967 [0,2,0,1,0,0|1,0,0]=4 47818 B12R1.8 FCOCCCC1CCCCN1 34a_100011934581_100015361967 [0,2,0,1,0,0|1,0,0]=4 47819 B12R1.8 FCOCCCN1CCCCC1 34a_100000212458_100015361967 [0,2,0,1,0,0|1,0,0]=4 47820 B12R1.8 FCOCCOC1CCCCC1 34a_100011249652_100015361967 [0,2,0,1,0,0|1,0,0]=4 47821 B12R1.8 FCOCCOC1CCCCC1 7a_100011249652_100015361967 [0,2,0,1,0,0|1,0,0]=4 47822 B12R1.8 FCOCCOC1CCCCO1 34a_100000034223_100015361967 [0,2,0,1,0,0|1,0,0]=4 47823 B12R1.8 FCOCCOC1CCCCO1 7a_100000034223_100015361967 [0,2,0,1,0,0|1,0,0]=4 47824 B12R1.8 FCSCCCC1CCCCC1 62a_100011713725_100015361967 [0,2,0,1,0,0|1,0,0]=4 47825 B12R1.8 FCSCCCC1CCCCC1 62a_100015361967_100011713725 [0,2,0,1,0,0|1,0,0]=4 47826 B12R1.8 FCSCCCN1CCCCC1 62a_100015361967_100000007876 [0,2,0,1,0,0|1,0,0]=4 47827 B12R1.8 FCSCCCN1CCCCC1 62a_100132302099_100015361967 [0,2,0,1,0,0|1,0,0]=4 47828 B12R1.8 FCSCCOC1CCCCC1 62a_100011211530_100015361967 [0,2,0,1,0,0|1,0,0]=4 47829 B12R1.8 FCSCCOC1CCCCC1 62a_100015361967_100011211530 [0,2,0,1,0,0|1,0,0]=4 47830 B12R1.8 FCSCCOC1CCCCO1 62a_100000744793_100015361967 [0,2,0,1,0,0|1,0,0]=4 47831 B12R1.8 FCSCCOC1CCCCO1 62a_100015361967_100000744793 [0,2,0,1,0,0|1,0,0]=4 47832 B12R1.8 ICCCCOC1CCCCC1 34a_200012148704_100000210327 [0,2,0,1,0,0|0,0,0]=3 47833 B12R1.8 ICCCCOC1CCCOC1 34a_200012148704_100000693364 [0,2,0,1,0,0|0,0,0]=3 47834 B12R1.8 ICCCCOC1CCSCC1 34a_200012148704_100000069128 [0,2,0,1,0,0|0,0,0]=3 47835 B12R1.8 N#CCCCOC1CCCCC1 7a_100000210231_100000687738 [0,2,0,1,0,0|0,0,1]=4 47836 B12R1.8 N#CCCCOC1CCCSC1 7a_100015962668_100000687738 [0,2,0,1,0,0|0,0,1]=4 47837 B12R1.8 N#CCCCOC1CCSCC1 7a_100000731022_100000687738 [0,2,0,1,0,0|0,0,1]=4 47838 B12R1.8 N#CCCNCC1CCCCO1 2230a_100000174945_100011215226 [0,2,0,1,0,0|0,0,1]=4 47839 B12R1.8 N#CCCOCC1CCCCO1 7a_100000211370_100000184422 [0,2,0,1,0,0|0,0,1]=4 47840 B12R1.8 N#CCCSCC1CCCCO1 62a_100000211543_100011215226 [0,2,0,1,0,0|0,0,1]=4 47841 B12R1.8 N#CCCSCC1CCCCO1 62a_100011215226_100000211543 [0,2,0,1,0,0|0,0,1]=4 47842 B12R1.8 N#CCNCCC1CCCCO1 2230a_100015183643_100011215382 [0,2,0,1,0,0|0,0,1]=4 47843 B12R1.8 NCCCCOC1CCCCC1 34a_100000750430_100000210327 [0,2,0,1,0,0|0,0,0]=3 47844 B12R1.8 NCCCCOC1CCCOC1 34a_100000750430_100000693364 [0,2,0,1,0,0|0,0,0]=3 47845 B12R1.8 NCCCCOC1CCSCC1 34a_100000750430_100000069128 [0,2,0,1,0,0|0,0,0]=3 47846 B12R1.8 NCCCOCC1CCCCC1 34a_100000182051_100000211423 [0,2,0,1,0,0|1,0,0]=4 47847 B12R1.8 NCCCOCC1CCCCO1 34a_100000182051_100000211543 [0,2,0,1,0,0|0,0,0]=3 47848 B12R1.8 NCCCOCC1CCCOC1 34a_100000182051_100000741521 [0,2,0,1,0,0|1,0,0]=4 47849 B12R1.8 NCCCOCC1CCOCC1 34a_100000182051_100000754603 [0,2,0,1,0,0|1,0,0]=4 47850 B12R1.8 NCCOCCC1CCCCC1 34a_100000210304_100011209188 [0,2,0,1,0,0|1,0,0]=4 47851 B12R1.8 NCCOCCC1OCCCO1 34a_100000210304_100000764188 [0,2,0,1,0,0|1,0,0]=4 47852 B12R1.8 NCCOCCN1CCCCC1 34a_100000210304_100000739454 [0,2,0,1,0,0|1,0,0]=4 47853 B12R1.8 NCCOCOC1CCCCC1 34a_100000210304_100011935260 [0,2,0,1,0,0|1,0,0]=4 47854 B12R1.8 NOCCOCC1CCCCO1 34a_100000700252_100000211543 [0,2,0,1,0,0|1,0,0]=4 47855 B12R1.8 O=CCCCOC1CCCCC1 7a_100000210231_200011292268 [0,2,0,1,0,0|0,0,1]=4 47856 B12R1.8 O=CCCCOC1CCCSC1 7a_100015962668_200011292268 [0,2,0,1,0,0|0,0,1]=4 47857 B12R1.8 O=CCCCOC1CCSCC1 7a_100000731022_200011292268 [0,2,0,1,0,0|0,0,1]=4 47858 B12R1.8 O=CCNCCC1CCCCO1 2230a_100015183643_200015260668 [0,2,0,1,0,0|0,0,1]=4 47859 B12R1.8 O=CCNCCC1CCCCO1 34a_100015183643_200009817547 [0,2,0,1,0,0|0,0,1]=4 47860 B12R1.8 OCCCCCN1CCCOC1 2230a_100000131196_100000746330 [0,2,0,1,0,0|1,0,0]=4 47861 B12R1.8 OCCCCCN1CCCOC1 269982a_100000131196_100000746330 [0,2,0,1,0,0|1,0,0]=4 47862 B12R1.8 OCCCCCN1CCCOC1 34a_100000131196_100000746330 [0,2,0,1,0,0|1,0,0]=4 47863 B12R1.8 OCCCCCN1CCOCC1 2230a_100015191051_100000746330 [0,2,0,1,0,0|1,0,0]=4 47864 B12R1.8 OCCCCCN1CCOCC1 269982a_100015191051_100000746330 [0,2,0,1,0,0|1,0,0]=4 47865 B12R1.8 OCCCCCN1CCOCC1 34a_100015191051_100000746330 [0,2,0,1,0,0|1,0,0]=4 47866 B12R1.8 OCCCCCN1CCSCC1 2230a_100000737611_100000746330 [0,2,0,1,0,0|1,0,0]=4 47867 B12R1.8 OCCCCCN1CCSCC1 269982a_100000737611_100000746330 [0,2,0,1,0,0|1,0,0]=4 47868 B12R1.8 OCCCCNC1CCCCC1 2230a_100000182618_100000210776 [0,2,0,1,0,0|1,0,0]=4 47869 B12R1.8 OCCCCNC1CCCCC1 270004a_100000750430_100000210434 [0,2,0,1,0,0|1,0,0]=4 47870 B12R1.8 OCCCCNC1CCCCC1 34a_100000182618_100011216708 [0,2,0,1,0,0|1,0,0]=4 47871 B12R1.8 OCCCCNC1CCCCC1 34a_100000750430_100000210327 [0,2,0,1,0,0|1,0,0]=4 47872 B12R1.8 OCCCCNC1CCCOC1 2230a_100000719290_100000210776 [0,2,0,1,0,0|1,0,0]=4 47873 B12R1.8 OCCCCNC1CCCOC1 270004a_100000750430_100000753404 [0,2,0,1,0,0|1,0,0]=4 47874 B12R1.8 OCCCCNC1CCCOC1 34a_100000719290_100011216708 [0,2,0,1,0,0|1,0,0]=4 47875 B12R1.8 OCCCCNC1CCCOC1 34a_100000750430_100000693364 [0,2,0,1,0,0|1,0,0]=4 47876 B12R1.8 OCCCCNC1CCCSC1 270004a_100000750430_100000057913 [0,2,0,1,0,0|1,0,0]=4 47877 B12R1.8 OCCCCNC1CCNCC1 270004a_100000750430_100015192401 [0,2,0,1,0,0|1,0,0]=4 47878 B12R1.8 OCCCCNC1CCOCC1 2230a_100000741149_100000210776 [0,2,0,1,0,0|1,0,0]=4 47879 B12R1.8 OCCCCNC1CCOCC1 270004a_100000750430_100011217826 [0,2,0,1,0,0|1,0,0]=4 47880 B12R1.8 OCCCCNC1CCOCC1 34a_100000741149_100011216708 [0,2,0,1,0,0|1,0,0]=4 47881 B12R1.8 OCCCCNC1CCSCC1 2230a_100000748639_100000210776 [0,2,0,1,0,0|1,0,0]=4 47882 B12R1.8 OCCCCNC1CCSCC1 270004a_100000750430_100000203788 [0,2,0,1,0,0|1,0,0]=4 47883 B12R1.8 OCCCCNC1CCSCC1 34a_100000748639_100011216708 [0,2,0,1,0,0|1,0,0]=4 47884 B12R1.8 OCCCCNC1CCSCC1 34a_100000750430_100000069128 [0,2,0,1,0,0|1,0,0]=4 47885 B12R1.8 OCCCCOC1C=CCCC1 34a_100011215024_100011216708 [0,2,0,1,0,0|0,0,1]=4 47886 B12R1.8 OCCCCOC1CC=CCC1 34a_100000073881_100011216708 [0,2,0,1,0,0|0,0,1]=4 47887 B12R1.8 OCCCCOC1CCCCC1 34a_100000210231_100011216708 [0,2,0,1,0,0|0,0,0]=3 47888 B12R1.8 OCCCCOC1CCCCC1 7a_100000210231_100000210776 [0,2,0,1,0,0|0,0,0]=3 47889 B12R1.8 OCCCCOC1CCCCO1 34a_100000033831_100011216708 [0,2,0,1,0,0|0,0,0]=3 47890 B12R1.8 OCCCCOC1CCCOC1 34a_100000754041_100011216708 [0,2,0,1,0,0|0,0,0]=3 47891 B12R1.8 OCCCCOC1CCCSC1 7a_100015962668_100000210776 [0,2,0,1,0,0|0,0,0]=3 47892 B12R1.8 OCCCCOC1CCOCC1 34a_100000744328_100011216708 [0,2,0,1,0,0|0,0,0]=3 47893 B12R1.8 OCCCCOC1CCSCC1 34a_100000731022_100011216708 [0,2,0,1,0,0|0,0,0]=3 47894 B12R1.8 OCCCCOC1CCSCC1 7a_100000731022_100000210776 [0,2,0,1,0,0|0,0,0]=3 47895 B12R1.8 OCCCCSC1CCCCC1 62a_100000210327_100000210776 [0,2,0,1,0,0|0,1,0]=4 47896 B12R1.8 OCCCCSC1CCCCC1 62a_100000210776_100000210327 [0,2,0,1,0,0|0,1,0]=4 47897 B12R1.8 OCCCCSC1CCCOC1 62a_100000210776_100000693364 [0,2,0,1,0,0|0,1,0]=4 47898 B12R1.8 OCCCCSC1CCOCC1 62a_100000210776_100011324220 [0,2,0,1,0,0|0,1,0]=4 47899 B12R1.8 OCCCCSC1CCSCC1 62a_100000210776_100000069128 [0,2,0,1,0,0|0,1,0]=4 47900 B12R1.8 OCCCNCC1CCCCC1 2230a_100000210473_100000230001 [0,2,0,1,0,0|1,0,0]=4 47901 B12R1.8 OCCCNCC1CCCCC1 269862a_100000182051_100000211278 [0,2,0,1,0,0|1,0,0]=4 47902 B12R1.8 OCCCNCC1CCCCC1 34a_100000210473_100000230001 [0,2,0,1,0,0|1,0,0]=4 47903 B12R1.8 OCCCNCC1CCCCO1 2230a_100000174945_100000230001 [0,2,0,1,0,0|0,0,0]=3 47904 B12R1.8 OCCCNCC1CCCCO1 34a_100000174945_100000230001 [0,2,0,1,0,0|0,0,0]=3 47905 B12R1.8 OCCCNC[C@H]1COCCO1 2230a_100010981119_100000230001 [0,2,0,1,0,0|1,0,0]=4 47906 B12R1.8 OCCCNC[C@H]1COCCO1 34a_100010981119_100000230001 [0,2,0,1,0,0|1,0,0]=4 47907 B12R1.8 OCCCOCC1CC=CCC1 34a_100000210713_100000230001 [0,2,0,1,0,0|1,0,0]=4 47908 B12R1.8 OCCCOCC1CCCCC1 34a_100000212181_100000230001 [0,2,0,1,0,0|1,0,0]=4 47909 B12R1.8 OCCCOCC1CCCCC1 7a_100000212181_100011215043 [0,2,0,1,0,0|1,0,0]=4 47910 B12R1.8 OCCCOCC1CCCCN1 34a_100000210821_100000230001 [0,2,0,1,0,0|1,0,0]=4 47911 B12R1.8 OCCCOCC1CCCCO1 34a_100000211370_100000230001 [0,2,0,1,0,0|0,0,0]=3 47912 B12R1.8 OCCCOCC1CCCCO1 7a_100000211370_100011215043 [0,2,0,1,0,0|0,0,0]=3 47913 B12R1.8 OCCCOCC1CCCNC1 34a_100000211344_100000230001 [0,2,0,1,0,0|1,0,0]=4 47914 B12R1.8 OCCCOCC1CCCOC1 34a_100000741520_100000230001 [0,2,0,1,0,0|1,0,0]=4 47915 B12R1.8 OCCCOCC1CCNCC1 34a_100000738675_100000230001 [0,2,0,1,0,0|1,0,0]=4 47916 B12R1.8 OCCCOCC1CCOCC1 34a_100000749013_100000230001 [0,2,0,1,0,0|1,0,0]=4 47917 B12R1.8 OCCCOCC1CCSCC1 34a_100000070558_100000230001 [0,2,0,1,0,0|1,0,0]=4 47918 B12R1.8 OCCCOCC1CCSCC1 7a_100000070558_100011215043 [0,2,0,1,0,0|1,0,0]=4 47919 B12R1.8 OCCCOC[C@@H]1CNCCO1 34a_100015189573_100000230001 [0,2,0,1,0,0|1,0,0]=4 47920 B12R1.8 OCCCOC[C@@H]1COCCN1 34a_100000717676_100000230001 [0,2,0,1,0,0|1,0,0]=4 47921 B12R1.8 OCCCOC[C@H]1COCCO1 34a_100009875890_100000230001 [0,2,0,1,0,0|1,0,0]=4 47922 B12R1.8 OCCCSCC1CCCCC1 62a_100000211423_100011215043 [0,2,0,1,0,0|1,0,0]=4 47923 B12R1.8 OCCCSCC1CCCCC1 62a_100011215043_100000211423 [0,2,0,1,0,0|1,0,0]=4 47924 B12R1.8 OCCCSCC1CCCCO1 62a_100000211543_100011215043 [0,2,0,1,0,0|0,0,0]=3 47925 B12R1.8 OCCCSCC1CCCCO1 62a_100011215043_100000211543 [0,2,0,1,0,0|0,0,0]=3 47926 B12R1.8 OCCNCCC1CCCCC1 2230a_100000738074_100000211926 [0,2,0,1,0,0|1,0,0]=4 47927 B12R1.8 OCCNCCC1CCCCC1 2230a_100016997473_100012355289 [0,2,0,1,0,0|1,0,0]=4 47928 B12R1.8 OCCNCCC1CCCCC1 270004a_100000210304_100011713444 [0,2,0,1,0,0|1,0,0]=4 47929 B12R1.8 OCCNCCC1CCCCC1 34a_100000738074_100000211926 [0,2,0,1,0,0|1,0,0]=4 47930 B12R1.8 OCCNCCC1CCCCC1 34a_100016990907_100011209188 [0,2,0,1,0,0|1,0,0]=4 47931 B12R1.8 OCCNCCC1CCCCO1 2230a_100015183643_100000211926 [0,2,0,1,0,0|0,0,0]=3 47932 B12R1.8 OCCNCCC1CCCCO1 34a_100015183643_100000211926 [0,2,0,1,0,0|0,0,0]=3 47933 B12R1.8 OCCNCCC1OCCCO1 2230a_100016997473_100000764188 [0,2,0,1,0,0|1,0,0]=4 47934 B12R1.8 OCCNCCC1OCCCO1 34a_100016990907_100000764188 [0,2,0,1,0,0|1,0,0]=4 47935 B12R1.8 OCCNCCN1CCCCC1 2230a_100016997473_100000739454 [0,2,0,1,0,0|1,0,0]=4 47936 B12R1.8 OCCNCCN1CCCCC1 34a_100016990907_100000739454 [0,2,0,1,0,0|1,0,0]=4 47937 B12R1.8 OCCNCOC1CCCCC1 2230a_100016997473_100011935260 [0,2,0,1,0,0|1,0,0]=4 47938 B12R1.8 OCCNCOC1CCCCC1 34a_100016990907_100011935260 [0,2,0,1,0,0|1,0,0]=4 47939 B12R1.8 OCCOCCC1CCCCC1 34a_100011217863_100000211926 [0,2,0,1,0,0|1,0,0]=4 47940 B12R1.8 OCCOCCC1CCCCC1 7a_100011217863_100000211926 [0,2,0,1,0,0|1,0,0]=4 47941 B12R1.8 OCCOCCC1CCCCN1 34a_100000211664_100000211926 [0,2,0,1,0,0|1,0,0]=4 47942 B12R1.8 OCCSCCC1CCCCC1 62a_100000211926_100012355289 [0,2,0,1,0,0|1,0,0]=4 47943 B12R1.8 OCCSCCC1CCCCC1 62a_100012355289_100000211926 [0,2,0,1,0,0|1,0,0]=4 47944 B12R1.8 OCCSCCC1OCCCO1 62a_100000211926_100000764188 [0,2,0,1,0,0|1,0,0]=4 47945 B12R1.8 OCCSCCC1OCCCO1 62a_100000764188_100000211926 [0,2,0,1,0,0|1,0,0]=4 47946 B12R1.8 OCCSCCN1CCCCC1 62a_100000211926_100000739454 [0,2,0,1,0,0|1,0,0]=4 47947 B12R1.8 OCCSCCN1CCCCC1 62a_100000739454_100000211926 [0,2,0,1,0,0|1,0,0]=4 47948 B12R1.8 OCCSCOC1CCCCC1 62a_100000211926_100011935260 [0,2,0,1,0,0|1,0,0]=4 47949 B12R1.8 OCCSCOC1CCCCC1 62a_100011935260_100000211926 [0,2,0,1,0,0|1,0,0]=4 47950 B12R1.8 [13CH3]NCCCOC1CCCCC1 34a_100000205933_200025704644 [0,2,0,1,0,0|0,0,0]=3 47951 B12R1.8 [13CH3]OCCCCC1CCCCC1 34a_100011215267_200025704644 [0,2,0,1,0,0|1,0,0]=4 47952 B12R1.8 [13CH3]OCCCCC1CCCCC1 7a_100011215267_200025704644 [0,2,0,1,0,0|1,0,0]=4 47953 B12R1.8 [13CH3]OCCCCC1CCNCC1 34a_100016989291_200025704644 [0,2,0,1,0,0|1,0,0]=4 47954 B12R1.8 [13CH3]OCCCCN1CCOCC1 34a_100000723369_200025704644 [0,2,0,1,0,0|1,0,0]=4 47955 B12R1.8 [13CH3]SCCCOC1CCCCO1 62a_100000700653_200025704644 [0,2,0,1,0,0|0,0,0]=3 47956 B12R1.8 [13CH3]SCCCOC1CCCCO1 62a_200025704644_100000700653 [0,2,0,1,0,0|0,0,0]=3 47957 B12R1.30 CCCCC(=O)C1CCCCC1 1458a_100000210183_100000210327 [0,2,0,1,0,0|1,0,0]=4 47958 B12R1.30 CCCCC(=O)C1CCCCC1 1458a_100000210647_100000210211 [0,2,0,1,0,0|1,0,0]=4 47959 B12R1.30 CCCCC(=O)C1CCCCO1 1458a_100000748299_100000210211 [0,2,0,1,0,0|0,0,0]=3 47960 B12R1.30 CCCCC(=O)C1CCCOC1 1458a_100000210183_100000693364 [0,2,0,1,0,0|1,0,0]=4 47961 B12R1.30 CCCCC(=O)C1CCCOC1 1458a_100000741522_100000210211 [0,2,0,1,0,0|1,0,0]=4 47962 B12R1.30 CCCCC(=O)C1CCOCC1 1458a_100000195482_100000210211 [0,2,0,1,0,0|1,0,0]=4 47963 B12R1.30 CCCCC(=O)C1CCOCC1 1458a_100000210183_100011324220 [0,2,0,1,0,0|1,0,0]=4 47964 B12R1.30 CCCCC(=O)C1CCSCC1 1458a_100000755232_100000210211 [0,2,0,1,0,0|1,0,0]=4 47965 B12R1.30 CCCCC(=O)C1COCCO1 1458a_100000045528_100000210211 [0,2,0,1,0,0|1,0,0]=4 47966 B12R1.30 CCCCC(C)N1CCCOC1 2230a_100000131196_200011215066 [0,2,0,1,0,0|1,0,0]=4 47967 B12R1.30 CCCCC(C)N1CCCOC1 269982a_100000131196_200011215066 [0,2,0,1,0,0|1,0,0]=4 47968 B12R1.30 CCCCC(C)N1CCCOC1 270004a_100000131196_100000210087 [0,2,0,1,0,0|1,0,0]=4 47969 B12R1.30 CCCCC(C)N1CCCOC1 34a_100000131196_200011215066 [0,2,0,1,0,0|1,0,0]=4 47970 B12R1.30 CCCCC(C)N1CCOCC1 2230a_100015191051_200011215066 [0,2,0,1,0,0|1,0,0]=4 47971 B12R1.30 CCCCC(C)N1CCOCC1 269982a_100015191051_200011215066 [0,2,0,1,0,0|1,0,0]=4 47972 B12R1.30 CCCCC(C)N1CCOCC1 270004a_100015191051_100000210087 [0,2,0,1,0,0|1,0,0]=4 47973 B12R1.30 CCCCC(C)N1CCOCC1 34a_100015191051_200011215066 [0,2,0,1,0,0|1,0,0]=4 47974 B12R1.30 CCCCC(C)N1CCSCC1 2230a_100000737611_200011215066 [0,2,0,1,0,0|1,0,0]=4 47975 B12R1.30 CCCCC(C)N1CCSCC1 269982a_100000737611_200011215066 [0,2,0,1,0,0|1,0,0]=4 47976 B12R1.30 CCCCC(C)N1CCSCC1 270004a_100000737611_100000210087 [0,2,0,1,0,0|1,0,0]=4 47977 B12R1.30 CCCCN(C)C1CCCCC1 2230a_100000207522_100000210211 [0,2,0,1,0,0|1,0,0]=4 47978 B12R1.30 CCCCN(C)C1CCCCC1 269982a_100000207522_100000210211 [0,2,0,1,0,0|1,0,0]=4 47979 B12R1.30 CCCCN(C)C1CCCCC1 269982a_100000207549_100000210327 [0,2,0,1,0,0|1,0,0]=4 47980 B12R1.30 CCCCN(C)C1CCCCC1 270004a_100000207549_100000210434 [0,2,0,1,0,0|1,0,0]=4 47981 B12R1.30 CCCCN(C)C1CCCCC1 34a_100000207522_100000210210 [0,2,0,1,0,0|1,0,0]=4 47982 B12R1.30 CCCCN(C)C1CCCOC1 269982a_100000207549_100000693364 [0,2,0,1,0,0|1,0,0]=4 47983 B12R1.30 CCCCN(C)C1CCCOC1 270004a_100000207549_100000753404 [0,2,0,1,0,0|1,0,0]=4 47984 B12R1.30 CCCCN(C)C1CCCSC1 270004a_100000207549_100000057913 [0,2,0,1,0,0|1,0,0]=4 47985 B12R1.30 CCCCN(C)C1CCNCC1 270004a_100000207549_100015192401 [0,2,0,1,0,0|1,0,0]=4 47986 B12R1.30 CCCCN(C)C1CCOCC1 2230a_100020587155_100000210211 [0,2,0,1,0,0|1,0,0]=4 47987 B12R1.30 CCCCN(C)C1CCOCC1 269982a_100000207549_100011324220 [0,2,0,1,0,0|1,0,0]=4 47988 B12R1.30 CCCCN(C)C1CCOCC1 269982a_100020587155_100000210211 [0,2,0,1,0,0|1,0,0]=4 47989 B12R1.30 CCCCN(C)C1CCOCC1 270004a_100000207549_100011217826 [0,2,0,1,0,0|1,0,0]=4 47990 B12R1.30 CCCCN(C)C1CCOCC1 34a_100020587155_100000210210 [0,2,0,1,0,0|1,0,0]=4 47991 B12R1.30 CCCCN(C)C1CCSCC1 2230a_100015184757_100000210211 [0,2,0,1,0,0|1,0,0]=4 47992 B12R1.30 CCCCN(C)C1CCSCC1 269982a_100000207549_100000069128 [0,2,0,1,0,0|1,0,0]=4 47993 B12R1.30 CCCCN(C)C1CCSCC1 269982a_100015184757_100000210211 [0,2,0,1,0,0|1,0,0]=4 47994 B12R1.30 CCCCN(C)C1CCSCC1 270004a_100000207549_100000203788 [0,2,0,1,0,0|1,0,0]=4 47995 B12R1.30 CCCCN(C)C1CCSCC1 34a_100015184757_100000210210 [0,2,0,1,0,0|1,0,0]=4 47996 B12R1.30 CCCNC(=O)C1CCCCO1 11a_100020643023_100000748299 [0,2,0,1,0,0|0,0,1]=4 47997 B12R1.30 CCCNC(=O)C1CCCCO1 1626a_100020643023_100000748299 [0,2,0,1,0,0|0,0,1]=4 47998 B12R1.30 CCCNC(=O)C1CCCCO1 240690a_100020643023_100000748299 [0,2,0,1,0,0|0,0,1]=4 47999 B12R1.30 CCCNC(=O)C1CCCCO1 527a_100020643023_100000748299 [0,2,0,1,0,0|0,0,1]=4 48000 B12R1.30 CCCNC(C)C1CCCCC1 269862a_100020643023_100000210989 [0,2,0,1,0,0|1,0,0]=4 48001 B12R1.30 CCCNC(C)C1CCCCN1 269862a_100020643023_200011997754 [0,2,0,1,0,0|1,0,0]=4 48002 B12R1.30 CCCN[C@H](C)C1CCCCC1 2230a_100025707633_100000210303 [0,2,0,1,0,0|1,0,0]=4 48003 B12R1.30 CCCN[C@H](C)C1CCCCC1 34a_100025707633_100000210303 [0,2,0,1,0,0|1,0,0]=4 48004 B12R1.30 CCCOC(C)C1CCCCC1 34a_100011216961_100000210303 [0,2,0,1,0,0|1,0,0]=4 48005 B12R1.30 CCCOC(C)C1CCCCC1 7a_100011216961_100000210303 [0,2,0,1,0,0|1,0,0]=4 48006 B12R1.30 CCOC[C@H](N)C1CCCCC1 34a_100009817630_100000210202 [0,2,0,1,0,0|1,0,0]=4 48007 B12R1.30 COCCC(=O)C1CCCCO1 1458a_100000748299_100000233755 [0,2,0,1,0,0|0,0,1]=4 48008 B12R1.30 COCCC(N)C1CCCCC1 34a_200020622111_200000210301 [0,2,0,1,0,0|1,0,0]=4 48009 B12R1.30 CSCCC(=O)C1CCCCO1 1458a_100000748299_100000751147 [0,2,0,1,0,0|0,0,1]=4 48010 B12R1.30 O=C(CCCF)C1CCCCO1 1458a_100000748299_100011934791 [0,2,0,1,0,0|0,0,1]=4 48011 B12R1.30 O=C(CCCO)C1CCCCO1 1458a_100000748299_100011215043 [0,2,0,1,0,0|0,0,1]=4 48012 B12R1.30 [13CH3]OCCC(N)C1CCCCC1 34a_200020622111_200025704644 [0,2,0,1,0,0|1,0,0]=4 48013 B12R1.112 CCCN1CCN(CC1CC)C 2230a_100011941019_100000210303 [0,2,0,1,0,0|1,0,0]=4 48014 B12R1.112 CCCN1CCN(CC1CC)C 269982a_100011941019_100000210303 [0,2,0,1,0,0|1,0,0]=4 48015 B12R1.267 CC1CCCCC1NCCCF 2230a_100000211402_100011934791 [0,2,0,1,0,0|1,0,0]=4 48016 B12R1.267 CC1CCCCC1NCCCF 269862a_100015189416_100000210921 [0,2,0,1,0,0|1,0,0]=4 48017 B12R1.267 CC1CCCCC1NCCCF 270004a_100015189416_100000210921 [0,2,0,1,0,0|1,0,0]=4 48018 B12R1.267 CC1CCCCC1NCCCF 34a_100000211402_100011934791 [0,2,0,1,0,0|1,0,0]=4 48019 B12R1.267 CC1CCCCC1NCCCO 2230a_100000211402_100000230001 [0,2,0,1,0,0|1,0,0]=4 48020 B12R1.267 CC1CCCCC1NCCCO 269862a_100000182051_100000210921 [0,2,0,1,0,0|1,0,0]=4 48021 B12R1.267 CC1CCCCC1NCCCO 270004a_100000182051_100000210921 [0,2,0,1,0,0|1,0,0]=4 48022 B12R1.267 CC1CCCCC1NCCCO 34a_100000211402_100000230001 [0,2,0,1,0,0|1,0,0]=4 48023 B12R1.267 CC1CCCCC1OCCCF 34a_100000211207_100011934791 [0,2,0,1,0,0|1,0,0]=4 48024 B12R1.267 CC1CCCCC1OCCCF 7a_100000211207_100011934791 [0,2,0,1,0,0|1,0,0]=4 48025 B12R1.267 CC1CCCCC1OCCCO 34a_100000211207_100000230001 [0,2,0,1,0,0|1,0,0]=4 48026 B12R1.267 CC1CCCCC1OCCCO 7a_100000211207_100011215043 [0,2,0,1,0,0|1,0,0]=4 48027 B12R1.267 CC1CCCCN1CCCCF 2230a_100000211376_100000729493 [0,2,0,1,0,0|1,0,0]=4 48028 B12R1.267 CC1CCCCN1CCCCF 269982a_100000211376_100000729493 [0,2,0,1,0,0|1,0,0]=4 48029 B12R1.267 CC1CCCCN1CCCCF 34a_100000211376_100000729493 [0,2,0,1,0,0|1,0,0]=4 48030 B12R1.267 CC1CCCCN1CCCCO 2230a_100000211376_100000210776 [0,2,0,1,0,0|1,0,0]=4 48031 B12R1.267 CC1CCCCN1CCCCO 269982a_100000211376_100000210776 [0,2,0,1,0,0|1,0,0]=4 48032 B12R1.267 CC1CCCCN1CCCCO 34a_100000211376_100011216708 [0,2,0,1,0,0|1,0,0]=4 48033 B12R1.267 CC1CCCCN1CCCN[13CH3] 34a_100000212276_200025704644 [0,2,0,1,0,0|1,0,0]=4 48034 B12R1.267 CC1CCCCN1CCCO[13CH3] 34a_100000213889_200025704644 [0,2,0,1,0,0|1,0,0]=4 48035 B12R1.267 CC1CCCCN1CCCO[13CH3] 7a_100000213889_200025704644 [0,2,0,1,0,0|1,0,0]=4 48036 B12R1.267 CC1CCNCC1OCCCF 34a_100000696640_100011934791 [0,2,0,1,0,0|1,0,0]=4 48037 B12R1.267 CC1CCNCC1OCCCO 34a_100000696640_100000230001 [0,2,0,1,0,0|1,0,0]=4 48038 B12R1.267 CC1CNCCC1OCCCF 34a_100011998114_100011934791 [0,2,0,1,0,0|1,0,0]=4 48039 B12R1.267 CC1CNCCC1OCCCO 34a_100011998114_100000230001 [0,2,0,1,0,0|1,0,0]=4 48040 B12R1.267 CCCCCN1CCCCC1C 2230a_100000211376_100000210326 [0,2,0,1,0,0|1,0,0]=4 48041 B12R1.267 CCCCCN1CCCCC1C 269982a_100000211376_100000210215 [0,2,0,1,0,0|1,0,0]=4 48042 B12R1.267 CCCCCN1CCCCC1C 34a_100000211376_100000718602 [0,2,0,1,0,0|1,0,0]=4 48043 B12R1.267 CCCCCN1CCOC[C@@H]1C 2230a_100009815349_100000210326 [0,2,0,1,0,0|1,0,0]=4 48044 B12R1.267 CCCCCN1CCOC[C@@H]1C 269982a_100009815349_100000210215 [0,2,0,1,0,0|1,0,0]=4 48045 B12R1.267 CCCCCN1CCOC[C@@H]1C 34a_100009815349_100000718602 [0,2,0,1,0,0|1,0,0]=4 48046 B12R1.267 CCCCNC1CCCCC1=O 7a_106832991798_100000204591 [0,2,0,1,0,0|1,0,0]=4 48047 B12R1.267 CCCCNC1CCCCC1C 2230a_100000211402_100000210211 [0,2,0,1,0,0|1,0,0]=4 48048 B12R1.267 CCCCNC1CCCCC1C 269862a_100000102301_100000210921 [0,2,0,1,0,0|1,0,0]=4 48049 B12R1.267 CCCCNC1CCCCC1C 270004a_100000102301_100000210921 [0,2,0,1,0,0|1,0,0]=4 48050 B12R1.267 CCCCNC1CCCCC1C 34a_100000211402_100000210210 [0,2,0,1,0,0|1,0,0]=4 48051 B12R1.267 CCCCNC1CCNCC1C 270004a_100000102301_100000703950 [0,2,0,1,0,0|1,0,0]=4 48052 B12R1.267 CCCCNC1CCOCC1C 270004a_100000102301_100000755695 [0,2,0,1,0,0|1,0,0]=4 48053 B12R1.267 CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210211 [0,2,0,1,0,0|1,0,0]=4 48054 B12R1.267 CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210210 [0,2,0,1,0,0|1,0,0]=4 48055 B12R1.267 CCCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210211 [0,2,0,1,0,0|1,0,0]=4 48056 B12R1.267 CCCCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000210211 [0,2,0,1,0,0|1,0,0]=4 48057 B12R1.267 CCCCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000210210 [0,2,0,1,0,0|1,0,0]=4 48058 B12R1.267 CCCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210211 [0,2,0,1,0,0|1,0,0]=4 48059 B12R1.267 CCCCOC1CCCCC1=O 34a_100000210227_100000754470 [0,2,0,1,0,0|0,0,0]=3 48060 B12R1.267 CCCCOC1CCCCC1=O 34a_100011214950_100000210210 [0,2,0,1,0,0|0,0,0]=3 48061 B12R1.267 CCCCOC1CCCCC1=O 7a_100000210227_100000204591 [0,2,0,1,0,0|0,0,0]=3 48062 B12R1.267 CCCCOC1CCCCC1C 34a_100000211207_100000210210 [0,2,0,1,0,0|0,0,0]=3 48063 B12R1.267 CCCCOC1CCCCC1C 7a_100000211207_100000210211 [0,2,0,1,0,0|0,0,0]=3 48064 B12R1.267 CCCCOC1CCCCC1Cl 34a_100000038908_100000210210 [0,2,0,1,0,0|0,0,0]=3 48065 B12R1.267 CCCCOC1CCCCC1Cl 7a_100000038908_100000210211 [0,2,0,1,0,0|0,0,0]=3 48066 B12R1.267 CCCCOC1CCCCC1F 34a_100000210227_100015423560 [0,2,0,1,0,0|0,0,0]=3 48067 B12R1.267 CCCCOC1CCCCC1O 34a_100000210227_100000038908 [0,2,0,1,0,0|0,0,0]=3 48068 B12R1.267 CCCCOC1CCCNC1=O 34a_100000073722_100000210210 [0,2,0,1,0,0|0,0,1]=4 48069 B12R1.267 CCCCOC1CCCNC1=O 34a_100000210227_100000687798 [0,2,0,1,0,0|0,0,1]=4 48070 B12R1.267 CCCCOC1CCCNC1=O 7a_100000210227_100000687798 [0,2,0,1,0,0|0,0,1]=4 48071 B12R1.267 CCCCOC1CCNCC1C 34a_100011998114_100000210210 [0,2,0,1,0,0|0,0,0]=3 48072 B12R1.267 CCCCOC1CNCCC1C 34a_100000696640_100000210210 [0,2,0,1,0,0|0,0,0]=3 48073 B12R1.267 CCCCOC1COCCC1=O 34a_100000210227_100012180262 [0,2,0,1,0,0|0,0,1]=4 48074 B12R1.267 CCCCOC1COCCC1=O 7a_100000210227_100012180262 [0,2,0,1,0,0|0,0,1]=4 48075 B12R1.267 CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210210 [0,2,0,1,0,0|0,0,0]=3 48076 B12R1.267 CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210211 [0,2,0,1,0,0|0,0,0]=3 48077 B12R1.267 CCCCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000210210 [0,2,0,1,0,0|0,0,0]=3 48078 B12R1.267 CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210210 [0,2,0,1,0,0|0,0,0]=3 48079 B12R1.267 CCCCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000210210 [0,2,0,1,0,0|0,0,0]=3 48080 B12R1.267 CCCCO[C@H]1COCC[C@H]1N 34a_100016994285_100000210210 [0,2,0,1,0,0|0,0,0]=3 48081 B12R1.267 CCCCSC1CCCCC1=O 62a_100000204591_100000210210 [0,2,0,1,0,0|0,1,0]=4 48082 B12R1.267 CCCCSC1CCCCC1=O 62a_100000210211_100000204591 [0,2,0,1,0,0|0,1,0]=4 48083 B12R1.267 CCCCSC1CCCCC1F 62a_100000210211_100015423560 [0,2,0,1,0,0|0,1,0]=4 48084 B12R1.267 CCCCSC1CCCCC1F 62a_100015423560_100000210210 [0,2,0,1,0,0|0,1,0]=4 48085 B12R1.267 CCCCSC1CCCCC1O 62a_100000038908_100000210210 [0,2,0,1,0,0|0,1,0]=4 48086 B12R1.267 CCCCSC1CCCCC1O 62a_100000210211_100000038908 [0,2,0,1,0,0|0,1,0]=4 48087 B12R1.267 CCCNCC1CCCCC1O 34a_100011216029_100000210303 [0,2,0,1,0,0|1,0,0]=4 48088 B12R1.267 CCCNCC1CCCCN1C 34a_100011228421_100000210303 [0,2,0,1,0,0|1,0,0]=4 48089 B12R1.267 CCCOCC1CCCCC1=O 34a_100009861125_100000210303 [0,2,0,1,0,0|1,0,0]=4 48090 B12R1.267 CCCOCC1CCCCC1=O 7a_100009861125_100000210303 [0,2,0,1,0,0|1,0,0]=4 48091 B12R1.267 CCCOCC1CCCCN1C 34a_100000210258_100015186950 [0,2,0,1,0,0|1,0,0]=4 48092 B12R1.267 CCCOCC1CCCCN1C 34a_100000225079_100000210303 [0,2,0,1,0,0|1,0,0]=4 48093 B12R1.267 CCCOCC1COCCC1N 34a_214813039666_100000210303 [0,2,0,1,0,0|1,0,0]=4 48094 B12R1.267 CCCOCC1COCCN1C 34a_100013547906_100000210303 [0,2,0,1,0,0|1,0,0]=4 48095 B12R1.267 CCCSCC1CCCCN1C 62a_100000210303_100015185383 [0,2,0,1,0,0|1,0,0]=4 48096 B12R1.267 CCCSCC1CCCCN1C 62a_100015185383_100000210303 [0,2,0,1,0,0|1,0,0]=4 48097 B12R1.267 CCNCCC1CCCCN1C 2230a_100015525214_100000211948 [0,2,0,1,0,0|1,0,0]=4 48098 B12R1.267 CCNCCN1CCCCC1C 2230a_100000739827_100000210202 [0,2,0,1,0,0|1,0,0]=4 48099 B12R1.267 CCNCCN1CCCCC1C 34a_100000739827_100000210202 [0,2,0,1,0,0|1,0,0]=4 48100 B12R1.267 CCOCCC1CCCCN1C 34a_100121572206_100000211948 [0,2,0,1,0,0|1,0,0]=4 48101 B12R1.267 CCOCCN1CCCCC1C 2230a_100000211376_100011215890 [0,2,0,1,0,0|1,0,0]=4 48102 B12R1.267 CCOCCN1CCCCC1C 269982a_100000211376_100011215890 [0,2,0,1,0,0|1,0,0]=4 48103 B12R1.267 CCOCCN1CCCCC1C 34a_100000211376_100000210147 [0,2,0,1,0,0|1,0,0]=4 48104 B12R1.267 CCOCCN1CCCCC1C 34a_100011305533_100000210202 [0,2,0,1,0,0|1,0,0]=4 48105 B12R1.267 CCOCCN1CCOC[C@@H]1C 2230a_100009815349_100011215890 [0,2,0,1,0,0|1,0,0]=4 48106 B12R1.267 CCOCCN1CCOC[C@@H]1C 269982a_100009815349_100011215890 [0,2,0,1,0,0|1,0,0]=4 48107 B12R1.267 CCOCCN1CCOC[C@@H]1C 34a_100009815349_100000210147 [0,2,0,1,0,0|1,0,0]=4 48108 B12R1.267 CCSCCC1CCCCN1C 62a_100000210202_100000211948 [0,2,0,1,0,0|1,0,0]=4 48109 B12R1.267 CCSCCC1CCCCN1C 62a_100000211948_100000210202 [0,2,0,1,0,0|1,0,0]=4 48110 B12R1.267 CCSCCN1CCCCC1C 2230a_100000211376_100000757381 [0,2,0,1,0,0|1,0,0]=4 48111 B12R1.267 CCSCCN1CCCCC1C 269982a_100000211376_100000757381 [0,2,0,1,0,0|1,0,0]=4 48112 B12R1.267 CCSCCN1CCCCC1C 34a_100000211376_100000757381 [0,2,0,1,0,0|1,0,0]=4 48113 B12R1.267 CCSCCN1CCOC[C@@H]1C 2230a_100009815349_100000757381 [0,2,0,1,0,0|1,0,0]=4 48114 B12R1.267 CCSCCN1CCOC[C@@H]1C 269982a_100009815349_100000757381 [0,2,0,1,0,0|1,0,0]=4 48115 B12R1.267 CCSCCN1CCOC[C@@H]1C 34a_100009815349_100000757381 [0,2,0,1,0,0|1,0,0]=4 48116 B12R1.267 CN1CCOCC1COCCF 34a_100013547906_100011217306 [0,2,0,1,0,0|1,0,0]=4 48117 B12R1.267 CN1CCOCC1COCCO 34a_100013547906_100000211926 [0,2,0,1,0,0|1,0,0]=4 48118 B12R1.267 CNCCCN1CCCCC1C 34a_100000212276_200000210301 [0,2,0,1,0,0|1,0,0]=4 48119 B12R1.267 COCCCC1CCCCN1C 2230a_100011804088_200000210301 [0,2,0,1,0,0|1,0,0]=4 48120 B12R1.267 COCCCC1CCCCN1C 269982a_100011804088_200000210301 [0,2,0,1,0,0|1,0,0]=4 48121 B12R1.267 COCCCC1CCCCN1C 34a_100011804088_200000210301 [0,2,0,1,0,0|1,0,0]=4 48122 B12R1.267 COCCCC1CCCCN1[13CH3] 2230a_100011804088_200025704644 [0,2,0,1,0,0|1,0,0]=4 48123 B12R1.267 COCCCC1CCCCN1[13CH3] 269982a_100011804088_200025704644 [0,2,0,1,0,0|1,0,0]=4 48124 B12R1.267 COCCCC1CCCCN1[13CH3] 34a_100011804088_200025704644 [0,2,0,1,0,0|1,0,0]=4 48125 B12R1.267 COCCCN1CCCCC1C 2230a_100000211376_100000740836 [0,2,0,1,0,0|1,0,0]=4 48126 B12R1.267 COCCCN1CCCCC1C 269982a_100000211376_100000740836 [0,2,0,1,0,0|1,0,0]=4 48127 B12R1.267 COCCCN1CCCCC1C 34a_100000211376_100000740836 [0,2,0,1,0,0|1,0,0]=4 48128 B12R1.267 COCCCN1CCCCC1C 34a_100000213889_200000210301 [0,2,0,1,0,0|1,0,0]=4 48129 B12R1.267 COCCCN1CCCCC1C 7a_100000213889_200000210301 [0,2,0,1,0,0|1,0,0]=4 48130 B12R1.267 COCCCN1CCOC[C@@H]1C 2230a_100009815349_100000740836 [0,2,0,1,0,0|1,0,0]=4 48131 B12R1.267 COCCCN1CCOC[C@@H]1C 269982a_100009815349_100000740836 [0,2,0,1,0,0|1,0,0]=4 48132 B12R1.267 COCCCN1CCOC[C@@H]1C 34a_100009815349_100000740836 [0,2,0,1,0,0|1,0,0]=4 48133 B12R1.267 COCCNC1CCCCC1C 2230a_100000211402_100011201679 [0,2,0,1,0,0|1,0,0]=4 48134 B12R1.267 COCCNC1CCCCC1C 269862a_100000209980_100000210921 [0,2,0,1,0,0|1,0,0]=4 48135 B12R1.267 COCCNC1CCCCC1C 270004a_100000209980_100000210921 [0,2,0,1,0,0|1,0,0]=4 48136 B12R1.267 COCCNC1CCCCC1C 34a_100000211402_100011201679 [0,2,0,1,0,0|1,0,0]=4 48137 B12R1.267 COCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100011201679 [0,2,0,1,0,0|1,0,0]=4 48138 B12R1.267 COCCOC1CCCCC1=O 34a_100000210237_100000754470 [0,2,0,1,0,0|1,0,0]=4 48139 B12R1.267 COCCOC1CCCCC1=O 34a_100011214950_100011201679 [0,2,0,1,0,0|1,0,0]=4 48140 B12R1.267 COCCOC1CCCCC1C 34a_100000211207_100011201679 [0,2,0,1,0,0|1,0,0]=4 48141 B12R1.267 COCCOC1CCCCC1C 7a_100000211207_100000233755 [0,2,0,1,0,0|1,0,0]=4 48142 B12R1.267 COCCOC1CCCCC1Cl 34a_100000038908_100011201679 [0,2,0,1,0,0|1,0,0]=4 48143 B12R1.267 COCCOC1CCCCC1Cl 7a_100000038908_100000233755 [0,2,0,1,0,0|1,0,0]=4 48144 B12R1.267 COCCOC1CCCCC1F 34a_100000210237_100015423560 [0,2,0,1,0,0|1,0,0]=4 48145 B12R1.267 COCCOC1CCCCC1O 34a_100000210237_100000038908 [0,2,0,1,0,0|1,0,0]=4 48146 B12R1.267 COCCOC1CCNCC1C 34a_100011998114_100011201679 [0,2,0,1,0,0|1,0,0]=4 48147 B12R1.267 COCCOC1CNCCC1C 34a_100000696640_100011201679 [0,2,0,1,0,0|1,0,0]=4 48148 B12R1.267 COCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011201679 [0,2,0,1,0,0|1,0,0]=4 48149 B12R1.267 COCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000233755 [0,2,0,1,0,0|1,0,0]=4 48150 B12R1.267 COCCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100011201679 [0,2,0,1,0,0|1,0,0]=4 48151 B12R1.267 COCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100011201679 [0,2,0,1,0,0|1,0,0]=4 48152 B12R1.267 COCCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100011201679 [0,2,0,1,0,0|1,0,0]=4 48153 B12R1.267 COCCO[C@H]1COCC[C@H]1N 34a_100016994285_100011201679 [0,2,0,1,0,0|1,0,0]=4 48154 B12R1.267 CSCCNC1CCCCC1C 2230a_100000211402_100000751147 [0,2,0,1,0,0|1,0,0]=4 48155 B12R1.267 CSCCNC1CCCCC1C 269862a_100020590264_100000210921 [0,2,0,1,0,0|1,0,0]=4 48156 B12R1.267 CSCCNC1CCCCC1C 270004a_100020590264_100000210921 [0,2,0,1,0,0|1,0,0]=4 48157 B12R1.267 CSCCNC1CCCCC1C 34a_100000211402_100000212216 [0,2,0,1,0,0|1,0,0]=4 48158 B12R1.267 CSCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000751147 [0,2,0,1,0,0|1,0,0]=4 48159 B12R1.267 CSCCOC1CCCCC1=O 34a_100000230434_100000754470 [0,2,0,1,0,0|1,0,0]=4 48160 B12R1.267 CSCCOC1CCCCC1=O 34a_100011214950_100000212216 [0,2,0,1,0,0|1,0,0]=4 48161 B12R1.267 CSCCOC1CCCCC1=O 7a_100000230434_100000204591 [0,2,0,1,0,0|1,0,0]=4 48162 B12R1.267 CSCCOC1CCCCC1C 34a_100000211207_100000212216 [0,2,0,1,0,0|1,0,0]=4 48163 B12R1.267 CSCCOC1CCCCC1C 7a_100000211207_100000212216 [0,2,0,1,0,0|1,0,0]=4 48164 B12R1.267 CSCCOC1CCCCC1Cl 34a_100000038908_100000212216 [0,2,0,1,0,0|1,0,0]=4 48165 B12R1.267 CSCCOC1CCCCC1Cl 7a_100000038908_100000212216 [0,2,0,1,0,0|1,0,0]=4 48166 B12R1.267 CSCCOC1CCCCC1F 34a_100000230434_100015423560 [0,2,0,1,0,0|1,0,0]=4 48167 B12R1.267 CSCCOC1CCCCC1O 34a_100000230434_100000038908 [0,2,0,1,0,0|1,0,0]=4 48168 B12R1.267 CSCCOC1CCNCC1C 34a_100011998114_100000212216 [0,2,0,1,0,0|1,0,0]=4 48169 B12R1.267 CSCCOC1CNCCC1C 34a_100000696640_100000212216 [0,2,0,1,0,0|1,0,0]=4 48170 B12R1.267 CSCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000212216 [0,2,0,1,0,0|1,0,0]=4 48171 B12R1.267 CSCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000212216 [0,2,0,1,0,0|1,0,0]=4 48172 B12R1.267 CSCCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000212216 [0,2,0,1,0,0|1,0,0]=4 48173 B12R1.267 CSCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000212216 [0,2,0,1,0,0|1,0,0]=4 48174 B12R1.267 CSCCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000212216 [0,2,0,1,0,0|1,0,0]=4 48175 B12R1.267 CSCCO[C@H]1COCC[C@H]1N 34a_100016994285_100000212216 [0,2,0,1,0,0|1,0,0]=4 48176 B12R1.267 CSCOCC1COCCC1N 34a_214813039666_100011218213 [0,2,0,1,0,0|1,0,0]=4 48177 B12R1.267 CSCOCC1COCCN1C 34a_100013547906_100011218213 [0,2,0,1,0,0|1,0,0]=4 48178 B12R1.267 C[C@H]1COCCN1CCCCF 2230a_100009815349_100000729493 [0,2,0,1,0,0|1,0,0]=4 48179 B12R1.267 C[C@H]1COCCN1CCCCF 269982a_100009815349_100000729493 [0,2,0,1,0,0|1,0,0]=4 48180 B12R1.267 C[C@H]1COCCN1CCCCF 34a_100009815349_100000729493 [0,2,0,1,0,0|1,0,0]=4 48181 B12R1.267 C[C@H]1COCCN1CCCCO 2230a_100009815349_100000210776 [0,2,0,1,0,0|1,0,0]=4 48182 B12R1.267 C[C@H]1COCCN1CCCCO 269982a_100009815349_100000210776 [0,2,0,1,0,0|1,0,0]=4 48183 B12R1.267 C[C@H]1COCCN1CCCCO 34a_100009815349_100011216708 [0,2,0,1,0,0|1,0,0]=4 48184 B12R1.267 FC1CCCCC1OCCCBr 34a_100011217188_100015423560 [0,2,0,1,0,0|1,0,0]=4 48185 B12R1.267 FC1CCCCC1OCCCCl 34a_100000230001_100015423560 [0,2,0,1,0,0|1,0,0]=4 48186 B12R1.267 FCCCOC1CCCCC1Cl 34a_100000038908_100011934791 [0,2,0,1,0,0|1,0,0]=4 48187 B12R1.267 FCCCOC1CCCCC1Cl 7a_100000038908_100011934791 [0,2,0,1,0,0|1,0,0]=4 48188 B12R1.267 FCCCOC1CCCCC1F 34a_100000759539_100015423560 [0,2,0,1,0,0|1,0,0]=4 48189 B12R1.267 FCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011934791 [0,2,0,1,0,0|1,0,0]=4 48190 B12R1.267 FCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011934791 [0,2,0,1,0,0|1,0,0]=4 48191 B12R1.267 FCCCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100011934791 [0,2,0,1,0,0|1,0,0]=4 48192 B12R1.267 NC1CCOCC1COCCF 34a_214813039666_100011217306 [0,2,0,1,0,0|1,0,0]=4 48193 B12R1.267 NC1CCOCC1COCCO 34a_214813039666_100000211926 [0,2,0,1,0,0|1,0,0]=4 48194 B12R1.267 NCCCOC1CCCCC1=O 34a_100000182051_100000754470 [0,2,0,1,0,0|1,0,0]=4 48195 B12R1.267 NCCCOC1CCCCC1F 34a_100000182051_100015423560 [0,2,0,1,0,0|1,0,0]=4 48196 B12R1.267 NCCCOC1CCCCC1O 34a_100000182051_100000038908 [0,2,0,1,0,0|1,0,0]=4 48197 B12R1.267 N[C@@H]1CCCC[C@@H]1OCCCF 34a_100015191688_100011934791 [0,2,0,1,0,0|1,0,0]=4 48198 B12R1.267 N[C@@H]1CCCC[C@@H]1OCCCO 34a_100015191688_100000230001 [0,2,0,1,0,0|1,0,0]=4 48199 B12R1.267 N[C@@H]1CCOC[C@@H]1OCCCF 34a_100016994285_100011934791 [0,2,0,1,0,0|1,0,0]=4 48200 B12R1.267 N[C@@H]1CCOC[C@@H]1OCCCO 34a_100016994285_100000230001 [0,2,0,1,0,0|1,0,0]=4 48201 B12R1.267 N[C@H]1COCC[C@@H]1OCCCF 34a_100015739063_100011934791 [0,2,0,1,0,0|1,0,0]=4 48202 B12R1.267 N[C@H]1COCC[C@@H]1OCCCO 34a_100015739063_100000230001 [0,2,0,1,0,0|1,0,0]=4 48203 B12R1.267 O=C1CCCCC1OCCCBr 34a_100011217188_100000754470 [0,2,0,1,0,0|1,0,0]=4 48204 B12R1.267 O=C1CCCCC1OCCCCl 34a_100000230001_100000754470 [0,2,0,1,0,0|1,0,0]=4 48205 B12R1.267 O=C1CCCCC1OCCCF 34a_100000759539_100000754470 [0,2,0,1,0,0|1,0,0]=4 48206 B12R1.267 O=C1CCCCC1OCCCF 34a_100011214950_100011934791 [0,2,0,1,0,0|1,0,0]=4 48207 B12R1.267 O=C1CCCCC1OCCCO 34a_100011214950_100000230001 [0,2,0,1,0,0|1,0,0]=4 48208 B12R1.267 OC1CCCCC1OCCCBr 34a_100011217188_100000038908 [0,2,0,1,0,0|1,0,0]=4 48209 B12R1.267 OC1CCCCC1OCCCCl 34a_100000230001_100000038908 [0,2,0,1,0,0|1,0,0]=4 48210 B12R1.267 OC1CCCCC1OCCCF 34a_100000759539_100000038908 [0,2,0,1,0,0|1,0,0]=4 48211 B12R1.267 OCCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000230001 [0,2,0,1,0,0|1,0,0]=4 48212 B12R1.267 OCCCOC1CCCCC1Cl 34a_100000038908_100000230001 [0,2,0,1,0,0|1,0,0]=4 48213 B12R1.267 OCCCOC1CCCCC1Cl 7a_100000038908_100011215043 [0,2,0,1,0,0|1,0,0]=4 48214 B12R1.267 OCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000230001 [0,2,0,1,0,0|1,0,0]=4 48215 B12R1.267 OCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011215043 [0,2,0,1,0,0|1,0,0]=4 48216 B12R1.267 OCCCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000230001 [0,2,0,1,0,0|1,0,0]=4 48217 B12R1.267 O[C@H]1CCOC[C@@H]1NCCCF 2230a_100015739063_100011934791 [0,2,0,1,0,0|1,0,0]=4 48218 B12R1.329 CCCCN1CCCCCCC1 2230a_100000211400_100000210211 [0,2,0,1,0,0|1,0,0]=4 48219 B12R1.329 CCCCN1CCCCCCC1 269982a_100000211400_100000210211 [0,2,0,1,0,0|1,0,0]=4 48220 B12R1.329 CCCCN1CCCCCCC1 34a_100000211400_100000210210 [0,2,0,1,0,0|1,0,0]=4 48221 B12R1.329 CCCNC1CCCCCCC1 2230a_100000211152_100000210303 [0,2,0,1,0,0|1,0,0]=4 48222 B12R1.329 CCCNC1CCCCCCC1 270004a_100020643023_100000210524 [0,2,0,1,0,0|1,0,0]=4 48223 B12R1.329 CCCNC1CCCCCCC1 34a_100000211152_100000210303 [0,2,0,1,0,0|1,0,0]=4 48224 B12R1.329 CCCOC1C=CCCCCC1 34a_100000688657_100000210303 [0,2,0,1,0,0|1,0,0]=4 48225 B12R1.329 CCCOC1CCCCCCC1 34a_100000210054_100000210303 [0,2,0,1,0,0|1,0,0]=4 48226 B12R1.329 CCCOC1CCCCCCC1 7a_100000210054_100000210303 [0,2,0,1,0,0|1,0,0]=4 48227 B12R1.329 CCOCC1CCCCCCC1 34a_100011216312_100000210202 [0,2,0,1,0,0|1,0,0]=4 48228 B12R1.329 CCOCC1CCCCCCC1 7a_100011216312_100000210202 [0,2,0,1,0,0|1,0,0]=4 48229 B12R1.329 CCOCN1CCCCCCC1 269982a_100000211400_100000739092 [0,2,0,1,0,0|1,0,0]=4 48230 B12R1.329 CNCCC1CCCCCCC1 2230a_100011532352_200000210301 [0,2,0,1,0,0|1,0,0]=4 48231 B12R1.329 CNCCC1CCCCCCC1 34a_100011532352_200000210301 [0,2,0,1,0,0|1,0,0]=4 48232 B12R1.329 COCCN1CCCCCCC1 2230a_100000211400_100011201679 [0,2,0,1,0,0|1,0,0]=4 48233 B12R1.329 COCCN1CCCCCCC1 269982a_100000211400_100000233755 [0,2,0,1,0,0|1,0,0]=4 48234 B12R1.329 COCCN1CCCCCCC1 34a_100000211400_100011201679 [0,2,0,1,0,0|1,0,0]=4 48235 B12R1.329 COCNC1CCCCCCC1 2230a_100000211152_100000766300 [0,2,0,1,0,0|1,0,0]=4 48236 B12R1.329 CSCCN1CCCCCCC1 2230a_100000211400_100000751147 [0,2,0,1,0,0|1,0,0]=4 48237 B12R1.329 CSCCN1CCCCCCC1 269982a_100000211400_100000212216 [0,2,0,1,0,0|1,0,0]=4 48238 B12R1.329 CSCCN1CCCCCCC1 34a_100000211400_100000212216 [0,2,0,1,0,0|1,0,0]=4 48239 B12R1.329 CSCNC1CCCCCCC1 2230a_100000211152_100011218213 [0,2,0,1,0,0|1,0,0]=4 48240 B12R1.329 CSCNC1CCCCCCC1 34a_100000211152_100011218213 [0,2,0,1,0,0|1,0,0]=4 48241 B12R1.329 CSCOC1CCCCCCC1 34a_100000210054_100011218213 [0,2,0,1,0,0|1,0,0]=4 48242 B12R1.329 FCCCN1CCCCCCC1 2230a_100000211400_100011934791 [0,2,0,1,0,0|1,0,0]=4 48243 B12R1.329 FCCCN1CCCCCCC1 269982a_100000211400_100011934791 [0,2,0,1,0,0|1,0,0]=4 48244 B12R1.329 FCCCN1CCCCCCC1 34a_100000211400_100011934791 [0,2,0,1,0,0|1,0,0]=4 48245 B12R1.329 FCCNC1CCCCCCC1 2230a_100000211152_100011217306 [0,2,0,1,0,0|1,0,0]=4 48246 B12R1.329 FCCNC1CCCCCCC1 34a_100000211152_100011217306 [0,2,0,1,0,0|1,0,0]=4 48247 B12R1.329 FCCOC1CCCCCCC1 34a_100000210054_100011217306 [0,2,0,1,0,0|1,0,0]=4 48248 B12R1.329 FCCOC1CCCCCCC1 7a_100000210054_100011217306 [0,2,0,1,0,0|1,0,0]=4 48249 B12R1.329 FCOCC1CCCCCCC1 34a_100011216312_100015361967 [0,2,0,1,0,0|1,0,0]=4 48250 B12R1.329 FCOCC1CCCCCCC1 7a_100011216312_100015361967 [0,2,0,1,0,0|1,0,0]=4 48251 B12R1.329 OCCCN1CCCCCCC1 2230a_100000211400_100000230001 [0,2,0,1,0,0|1,0,0]=4 48252 B12R1.329 OCCCN1CCCCCCC1 269982a_100000211400_100011215043 [0,2,0,1,0,0|1,0,0]=4 48253 B12R1.329 OCCCN1CCCCCCC1 34a_100000211400_100000230001 [0,2,0,1,0,0|1,0,0]=4 48254 B12R1.329 OCCNC1CCCCCCC1 2230a_100000211152_100000211926 [0,2,0,1,0,0|1,0,0]=4 48255 B12R1.329 OCCNC1CCCCCCC1 270004a_100000210304_100000210524 [0,2,0,1,0,0|1,0,0]=4 48256 B12R1.329 OCCNC1CCCCCCC1 34a_100000211152_100000211926 [0,2,0,1,0,0|1,0,0]=4 48257 B12R1.329 OCCOC1CCCCCCC1 34a_100000210054_100000211926 [0,2,0,1,0,0|1,0,0]=4 48258 B12R1.329 OCCOC1CCCCCCC1 7a_100000210054_100000211926 [0,2,0,1,0,0|1,0,0]=4 48259 B12R1.329 [13CH3]NCCC1CCCCCCC1 2230a_100011532352_200025704644 [0,2,0,1,0,0|1,0,0]=4 48260 B12R1.329 [13CH3]NCCC1CCCCCCC1 34a_100011532352_200025704644 [0,2,0,1,0,0|1,0,0]=4 48261 B12R1.333 CCCCN1CC(C1)OCCC 269982a_200020626125_100000210211 [0,2,0,1,0,0|1,0,0]=4 48262 B12R1.333 CCCCN1CC(C1)OCCC 34a_200020626125_100000210210 [0,2,0,1,0,0|1,0,0]=4 48263 B12R1.374 CCCCN1C[C@H](OC[C@H]1C)C 2230a_100016991869_100000210211 [0,2,0,1,0,0|1,0,0]=4 48264 B12R1.374 CCCCN1C[C@H](OC[C@H]1C)C 269982a_100016991869_100000210211 [0,2,0,1,0,0|1,0,0]=4 48265 B12R1.374 CCCCN1C[C@H](OC[C@H]1C)C 34a_100016991869_100000210210 [0,2,0,1,0,0|1,0,0]=4 48266 B12R1.374 CCCNC1CC(CCC1C)C 269862a_100020643023_100000034887 [0,2,0,1,0,0|1,0,0]=4 48267 B12R1.374 CCCNC1CC(CCC1C)C 270004a_100020643023_100000034887 [0,2,0,1,0,0|1,0,0]=4 48268 B12R1.374 CCCOC1CC(CCC1C)C 34a_100011217446_100000210303 [0,2,0,1,0,0|1,0,0]=4 48269 B12R1.374 CCCOC1CC(CCC1C)C 7a_100011217446_100000210303 [0,2,0,1,0,0|1,0,0]=4 48270 B12R1.376 CCCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000210211 [0,2,0,1,0,0|1,0,0]=4 48271 B12R1.376 CCCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000210211 [0,2,0,1,0,0|1,0,0]=4 48272 B12R1.376 CCCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000210211 [0,2,0,1,0,0|1,0,0]=4 48273 B12R1.376 CCCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000210211 [0,2,0,1,0,0|1,0,0]=4 48274 B12R1.376 CCCCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000210210 [0,2,0,1,0,0|1,0,0]=4 48275 B12R1.382 C#CC1CCCN(C1)CCCC 2230a_100015191679_100000210211 [0,2,0,1,0,0|1,0,0]=4 48276 B12R1.382 C#CC1CCCN(C1)CCCC 269982a_100015191679_100000210211 [0,2,0,1,0,0|1,0,0]=4 48277 B12R1.382 C#CC1CCCN(C1)CCCC 34a_100015191679_100000210210 [0,2,0,1,0,0|1,0,0]=4 48278 B12R1.382 CCCCN1CCCC(C1)C#N 2230a_100016989302_100000210211 [0,2,0,1,0,0|1,0,0]=4 48279 B12R1.382 CCCCN1CCCC(C1)C#N 269982a_206835378768_100000210211 [0,2,0,1,0,0|1,0,0]=4 48280 B12R1.382 CCCCN1CCCC(C1)CF 2230a_100016992999_100000210211 [0,2,0,1,0,0|1,0,0]=4 48281 B12R1.382 CCCCN1CCCC(C1)CF 269982a_100016992999_100000210211 [0,2,0,1,0,0|1,0,0]=4 48282 B12R1.382 CCCCN1CCCC(C1)CF 34a_100016992999_100000210210 [0,2,0,1,0,0|1,0,0]=4 48283 B12R1.382 CCCCN1CCCC(C1)CO 2230a_100000211344_100000210211 [0,2,0,1,0,0|1,0,0]=4 48284 B12R1.382 CCCCN1CCCC(C1)CO 269982a_100000211344_100000210211 [0,2,0,1,0,0|1,0,0]=4 48285 B12R1.382 CCCCN1CCCC(C1)CO 34a_100000211344_100000210210 [0,2,0,1,0,0|1,0,0]=4 48286 B12R1.382 CCCCN1CCCC(C1)OC 2230a_100000695604_100000210211 [0,2,0,1,0,0|1,0,0]=4 48287 B12R1.382 CCCCN1CCCC(C1)OC 269982a_100000695604_100000210211 [0,2,0,1,0,0|1,0,0]=4 48288 B12R1.382 CCCCN1CCCC(C1)OC 34a_100000695604_100000210210 [0,2,0,1,0,0|1,0,0]=4 48289 B12R1.382 CCCCN1CCOC(C1)CC 2230a_100000736320_100000210211 [0,2,0,1,0,0|1,0,0]=4 48290 B12R1.382 CCCCN1CCOC(C1)CC 269982a_100000736320_100000210211 [0,2,0,1,0,0|1,0,0]=4 48291 B12R1.382 CCCCN1CCOC(C1)CC 34a_100000736320_100000210210 [0,2,0,1,0,0|1,0,0]=4 48292 B12R1.382 CCCNC1CCCC(C1)CC 270004a_100020643023_100000756783 [0,2,0,1,0,0|1,0,0]=4 48293 B12R1.382 CCCOC1CCCC(C1)CC 7a_100011985506_100000210303 [0,2,0,1,0,0|1,0,0]=4 48294 B12R1.463 C=CCCC(C)OCC1CCC1 34a_100000765329_100000763275 [0,2,0,1,0,0|0,0,1]=4 48295 B12R1.463 C=CCCC(C)OCC1CCC1 7a_100000765329_100000763275 [0,2,0,1,0,0|0,0,1]=4 48296 B12R1.463 CC(CCCCl)OCC1CCC1 34a_200000718107_100000763275 [0,2,0,1,0,0|0,0,0]=3 48297 B12R1.463 CC(CCCCl)OCC1CCC1 7a_200000718107_100000763275 [0,2,0,1,0,0|0,0,0]=3 48298 B12R1.463 CC(CCCCl)OCC1CCO1 34a_200000718107_100000103362 [0,2,0,1,0,0|1,0,0]=4 48299 B12R1.463 CC(CCCCl)OCC1CCO1 7a_200000718107_100000103362 [0,2,0,1,0,0|1,0,0]=4 48300 B12R1.463 CC(CCCCl)OCC1COC1 34a_200000718107_100010264016 [0,2,0,1,0,0|1,0,0]=4 48301 B12R1.463 CC(CCCCl)OCC1COC1 7a_200000718107_100010264016 [0,2,0,1,0,0|1,0,0]=4 48302 B12R1.463 CCC#CC(C)OCC1CCC1 34a_100000033903_100000763275 [0,2,0,1,0,0|0,0,1]=4 48303 B12R1.463 CCC#CC(C)OCC1CCC1 7a_100000033903_100000763275 [0,2,0,1,0,0|0,0,1]=4 48304 B12R1.463 CCCCC(=O)NCC1CCC1 11a_100000738700_100000210183 [0,2,0,1,0,0|1,0,0]=4 48305 B12R1.463 CCCCC(=O)NCC1CCC1 1626a_100000738700_100000210183 [0,2,0,1,0,0|1,0,0]=4 48306 B12R1.463 CCCCC(=O)NCC1CCC1 240690a_100000738700_100000210183 [0,2,0,1,0,0|1,0,0]=4 48307 B12R1.463 CCCCC(=O)NCC1CCC1 527a_100000738700_100000210183 [0,2,0,1,0,0|1,0,0]=4 48308 B12R1.463 CCCCC(C)COC1CCC1 34a_100011995851_100000749161 [0,2,0,1,0,0|0,0,0]=3 48309 B12R1.463 CCCCC(C)COC1COC1 34a_100011995851_100009818527 [0,2,0,1,0,0|1,0,0]=4 48310 B12R1.463 CCCCC(C)COC1COC1 7a_100011995851_100009818527 [0,2,0,1,0,0|1,0,0]=4 48311 B12R1.463 CCCCC(C)NCC1CCC1 2230a_100000126638_100000763275 [0,2,0,1,0,0|1,0,0]=4 48312 B12R1.463 CCCCC(C)NCC1CCC1 2230a_100000738700_200011215066 [0,2,0,1,0,0|1,0,0]=4 48313 B12R1.463 CCCCC(C)NCC1CCC1 269862a_100000126638_100000753134 [0,2,0,1,0,0|1,0,0]=4 48314 B12R1.463 CCCCC(C)NCC1CCC1 270004a_100000738700_100000210087 [0,2,0,1,0,0|1,0,0]=4 48315 B12R1.463 CCCCC(C)NCC1CCC1 34a_100000738700_200011215066 [0,2,0,1,0,0|1,0,0]=4 48316 B12R1.463 CCCCC(C)NCC1CCO1 2230a_100000126638_100000103362 [0,2,0,1,0,0|1,0,0]=4 48317 B12R1.463 CCCCC(C)NCC1COC1 2230a_100000126638_100010264016 [0,2,0,1,0,0|1,0,0]=4 48318 B12R1.463 CCCCC(C)NCC1COC1 2230a_100015281925_200011215066 [0,2,0,1,0,0|1,0,0]=4 48319 B12R1.463 CCCCC(C)NCC1COC1 270004a_100015281925_100000210087 [0,2,0,1,0,0|1,0,0]=4 48320 B12R1.463 CCCCC(C)NCC1COC1 34a_100015281925_200011215066 [0,2,0,1,0,0|1,0,0]=4 48321 B12R1.463 CCCCC(C)NC[C@@H]1CCO1 2230a_100020831831_200011215066 [0,2,0,1,0,0|1,0,0]=4 48322 B12R1.463 CCCCC(C)NC[C@@H]1CCO1 270004a_100020831831_100000210087 [0,2,0,1,0,0|1,0,0]=4 48323 B12R1.463 CCCCC(C)NC[C@@H]1CCO1 34a_100020831831_200011215066 [0,2,0,1,0,0|1,0,0]=4 48324 B12R1.463 CCCCC(C)OCC1CCC1 34a_100000687866_100000763275 [0,2,0,1,0,0|0,0,0]=3 48325 B12R1.463 CCCCC(C)OCC1CCC1 34a_100000760304_200011215066 [0,2,0,1,0,0|0,0,0]=3 48326 B12R1.463 CCCCC(C)OCC1CCC1 7a_100000687866_100000763275 [0,2,0,1,0,0|0,0,0]=3 48327 B12R1.463 CCCCC(C)OCC1CCO1 34a_100000039022_200011215066 [0,2,0,1,0,0|0,0,0]=3 48328 B12R1.463 CCCCC(C)OCC1CCO1 34a_100000687866_100000103362 [0,2,0,1,0,0|0,0,0]=3 48329 B12R1.463 CCCCC(C)OCC1CCO1 7a_100000687866_100000103362 [0,2,0,1,0,0|0,0,0]=3 48330 B12R1.463 CCCCC(C)OCC1CNC1 34a_100016987283_200011215066 [0,2,0,1,0,0|0,0,0]=3 48331 B12R1.463 CCCCC(C)OCC1COC1 34a_100000060846_200011215066 [0,2,0,1,0,0|0,0,0]=3 48332 B12R1.463 CCCCC(C)OCC1COC1 34a_100000687866_100010264016 [0,2,0,1,0,0|0,0,0]=3 48333 B12R1.463 CCCCC(C)OCC1COC1 7a_100000687866_100010264016 [0,2,0,1,0,0|0,0,0]=3 48334 B12R1.463 CCCCC(C)SCC1CCC1 62a_100000763275_200011215066 [0,2,0,1,0,0|0,1,0]=4 48335 B12R1.463 CCCCC(C)SCC1CCC1 62a_200011215066_100000763275 [0,2,0,1,0,0|0,1,0]=4 48336 B12R1.463 CCCCC(C)SCC1CCO1 62a_100000103362_200011215066 [0,2,0,1,0,0|0,1,0]=4 48337 B12R1.463 CCCCC(C)SCC1CCO1 62a_200011215066_100000103362 [0,2,0,1,0,0|0,1,0]=4 48338 B12R1.463 CCCCC(C)SCC1COC1 62a_100010264016_200011215066 [0,2,0,1,0,0|0,1,0]=4 48339 B12R1.463 CCCCC(C)SCC1COC1 62a_200011215066_100010264016 [0,2,0,1,0,0|0,1,0]=4 48340 B12R1.463 CCCC[C@H](N)COC1CCC1 34a_100011934283_100000749161 [0,2,0,1,0,0|0,0,0]=3 48341 B12R1.463 CCCC[C@H](N)COC1COC1 34a_100011934283_100009818527 [0,2,0,1,0,0|1,0,0]=4 48342 B12R1.463 CCCNC(=O)COC1CCC1 34a_100000748187_100000183358 [0,2,0,1,0,0|0,0,1]=4 48343 B12R1.463 CCCOC(=O)COC1CCC1 34a_100000748187_200011215008 [0,2,0,1,0,0|0,0,1]=4 48344 B12R1.463 CCCOC(C)CNC1CCC1 270004a_100015185124_100000241760 [0,2,0,1,0,0|1,0,0]=4 48345 B12R1.463 CCCOC(C)CNC1CCC1 34a_100015185124_100000749161 [0,2,0,1,0,0|1,0,0]=4 48346 B12R1.463 CCOCC(C)OCC1CCC1 34a_100000718985_100000763275 [0,2,0,1,0,0|0,0,0]=3 48347 B12R1.463 CCOCC(C)OCC1CCC1 7a_100000718985_100000763275 [0,2,0,1,0,0|0,0,0]=3 48348 B12R1.463 CCOCC(C)OCC1CCO1 34a_100000718985_100000103362 [0,2,0,1,0,0|1,0,0]=4 48349 B12R1.463 CCOCC(C)OCC1CCO1 7a_100000718985_100000103362 [0,2,0,1,0,0|1,0,0]=4 48350 B12R1.463 CCOCC(C)OCC1COC1 34a_100000718985_100010264016 [0,2,0,1,0,0|1,0,0]=4 48351 B12R1.463 CCOCC(C)OCC1COC1 7a_100000718985_100010264016 [0,2,0,1,0,0|1,0,0]=4 48352 B12R1.463 CCOCC(O)CNC1CCC1 270004a_102515437182_100000241760 [0,2,0,1,0,0|1,0,0]=4 48353 B12R1.463 CCOCC(O)CNC1CCC1 34a_102515437182_100000749161 [0,2,0,1,0,0|1,0,0]=4 48354 B12R1.463 CCSCC(C)NCC1CCC1 270004a_100000738700_200011216171 [0,2,0,1,0,0|1,0,0]=4 48355 B12R1.463 COCCC(C)NCC1CCC1 270004a_100000738700_100000742357 [0,2,0,1,0,0|1,0,0]=4 48356 B12R1.463 COCO[C@H](C)COC1CCC1 34a_100016172286_100000749161 [0,2,0,1,0,0|1,0,0]=4 48357 B12R1.463 CSCCC(C)NCC1CCC1 270004a_100000738700_100011217047 [0,2,0,1,0,0|1,0,0]=4 48358 B12R1.463 CSCC[C@H](N)COC1CCC1 34a_100011827619_100000749161 [0,2,0,1,0,0|0,0,0]=3 48359 B12R1.463 CSCC[C@H](N)COC1COC1 34a_100011827619_100009818527 [0,2,0,1,0,0|1,0,0]=4 48360 B12R1.463 C[C@H](CCCO)CNC1CCC1 270004a_100160569302_100000241760 [0,2,0,1,0,0|1,0,0]=4 48361 B12R1.463 C[C@H](CCCO)CNC1CCC1 34a_100160569302_100000749161 [0,2,0,1,0,0|1,0,0]=4 48362 B12R1.464 C=CCCC(C)OCCC1CC1 34a_100000765329_100000694398 [0,2,0,1,0,0|0,0,1]=4 48363 B12R1.464 C=CCCC(C)OCCC1CC1 7a_100000765329_100000764125 [0,2,0,1,0,0|0,0,1]=4 48364 B12R1.464 CC(CCCCl)OCCC1CC1 34a_200000718107_100000694398 [0,2,0,1,0,0|0,0,0]=3 48365 B12R1.464 CC(CCCCl)OCCC1CC1 7a_200000718107_100000764125 [0,2,0,1,0,0|0,0,0]=3 48366 B12R1.464 CC(CCCCl)OCCC1CO1 34a_200000718107_100000732470 [0,2,0,1,0,0|1,0,0]=4 48367 B12R1.464 CC(CCCCl)OCCC1CO1 7a_200000718107_100000732470 [0,2,0,1,0,0|1,0,0]=4 48368 B12R1.464 CCC#CC(C)OCCC1CC1 34a_100000033903_100000694398 [0,2,0,1,0,0|0,0,1]=4 48369 B12R1.464 CCC#CC(C)OCCC1CC1 7a_100000033903_100000764125 [0,2,0,1,0,0|0,0,1]=4 48370 B12R1.464 CCCCC(=O)CCCC1CO1 1458a_100000210183_100000733510 [0,2,0,1,0,0|1,0,0]=4 48371 B12R1.464 CCCCC(=O)CSCC1CC1 1458a_200011316215_100000210211 [0,2,0,1,0,0|0,1,0]=4 48372 B12R1.464 CCCCC(=O)NCCC1CC1 1626a_100000764129_100000210183 [0,2,0,1,0,0|1,0,0]=4 48373 B12R1.464 CCCCC(=O)NCCC1CC1 240690a_100000764129_100000210183 [0,2,0,1,0,0|1,0,0]=4 48374 B12R1.464 CCCCC(=O)NCCC1CC1 527a_100000764129_100000210183 [0,2,0,1,0,0|1,0,0]=4 48375 B12R1.464 CCCCC(C)COCC1CC1 34a_100011995851_100000742324 [0,2,0,1,0,0|0,0,0]=3 48376 B12R1.464 CCCCC(C)COCC1CC1 7a_100011995851_100000742324 [0,2,0,1,0,0|0,0,0]=3 48377 B12R1.464 CCCCC(C)COCC1CO1 34a_100011995851_102125554688 [0,2,0,1,0,0|1,0,0]=4 48378 B12R1.464 CCCCC(C)COCC1CO1 7a_100011995851_102125554688 [0,2,0,1,0,0|1,0,0]=4 48379 B12R1.464 CCCCC(C)COCC1CS1 7a_100011995851_100000031435 [0,2,0,1,0,0|1,0,0]=4 48380 B12R1.464 CCCCC(C)COC[C@@H]1CO1 7a_100011995851_100000745022 [0,2,0,1,0,0|1,0,0]=4 48381 B12R1.464 CCCCC(C)NCCC1CC1 2230a_100000126638_100000694398 [0,2,0,1,0,0|1,0,0]=4 48382 B12R1.464 CCCCC(C)NCCC1CC1 270004a_100000764129_100000210087 [0,2,0,1,0,0|1,0,0]=4 48383 B12R1.464 CCCCC(C)NCCC1CC1 34a_100000764129_200011215066 [0,2,0,1,0,0|1,0,0]=4 48384 B12R1.464 CCCCC(C)NCCC1CO1 2230a_100000126638_100000732470 [0,2,0,1,0,0|1,0,0]=4 48385 B12R1.464 CCCCC(C)OCCC1CC1 34a_100000687866_100000694398 [0,2,0,1,0,0|0,0,0]=3 48386 B12R1.464 CCCCC(C)OCCC1CC1 34a_100000754188_200011215066 [0,2,0,1,0,0|0,0,0]=3 48387 B12R1.464 CCCCC(C)OCCC1CC1 7a_100000687866_100000764125 [0,2,0,1,0,0|0,0,0]=3 48388 B12R1.464 CCCCC(C)OCCC1CC1 7a_100000754188_200011215066 [0,2,0,1,0,0|0,0,0]=3 48389 B12R1.464 CCCCC(C)OCCC1CO1 34a_100000687866_100000732470 [0,2,0,1,0,0|0,0,0]=3 48390 B12R1.464 CCCCC(C)OCCC1CO1 7a_100000687866_100000732470 [0,2,0,1,0,0|0,0,0]=3 48391 B12R1.464 CCCCC(C)OCC[C@@H]1CO1 34a_100009820653_200011215066 [0,2,0,1,0,0|0,0,0]=3 48392 B12R1.464 CCCCC(C)SCCC1CC1 62a_100000764125_200011215066 [0,2,0,1,0,0|0,1,0]=4 48393 B12R1.464 CCCCC(C)SCCC1CC1 62a_200011215066_100000764125 [0,2,0,1,0,0|0,1,0]=4 48394 B12R1.464 CCCCC(C)SCCC1CO1 62a_100000732470_200011215066 [0,2,0,1,0,0|0,1,0]=4 48395 B12R1.464 CCCCC(C)SCCC1CO1 62a_200011215066_100000732470 [0,2,0,1,0,0|0,1,0]=4 48396 B12R1.464 CCCCN(C)CCCC1CO1 2230a_100000207549_100000733510 [0,2,0,1,0,0|1,0,0]=4 48397 B12R1.464 CCCCN(C)CCCC1CO1 269982a_100000207549_100000733510 [0,2,0,1,0,0|1,0,0]=4 48398 B12R1.464 CCCC[C@H](N)COCC1CC1 34a_100011934283_100000742324 [0,2,0,1,0,0|0,0,0]=3 48399 B12R1.464 CCCC[C@H](N)COCC1CO1 34a_100011934283_102125554688 [0,2,0,1,0,0|1,0,0]=4 48400 B12R1.464 CCCNC(=O)COCC1CC1 34a_100000211283_100000183358 [0,2,0,1,0,0|0,0,1]=4 48401 B12R1.464 CCCOC(=O)COCC1CC1 34a_100000211283_200011215008 [0,2,0,1,0,0|0,0,1]=4 48402 B12R1.464 CCCOC(C)CNCC1CC1 2230a_100015185124_100000742324 [0,2,0,1,0,0|1,0,0]=4 48403 B12R1.464 CCCOC(C)CNCC1CC1 269862a_100015185124_100000741477 [0,2,0,1,0,0|1,0,0]=4 48404 B12R1.464 CCCOC(C)CNCC1CC1 34a_100015185124_100000742324 [0,2,0,1,0,0|1,0,0]=4 48405 B12R1.464 CCOCC(C)OCCC1CC1 34a_100000718985_100000694398 [0,2,0,1,0,0|0,0,0]=3 48406 B12R1.464 CCOCC(C)OCCC1CC1 7a_100000718985_100000764125 [0,2,0,1,0,0|0,0,0]=3 48407 B12R1.464 CCOCC(C)OCCC1CO1 34a_100000718985_100000732470 [0,2,0,1,0,0|1,0,0]=4 48408 B12R1.464 CCOCC(C)OCCC1CO1 7a_100000718985_100000732470 [0,2,0,1,0,0|1,0,0]=4 48409 B12R1.464 CCOCC(O)CNCC1CC1 2230a_102515437182_100000742324 [0,2,0,1,0,0|1,0,0]=4 48410 B12R1.464 CCOCC(O)CNCC1CC1 269862a_102515437182_100000741477 [0,2,0,1,0,0|1,0,0]=4 48411 B12R1.464 CCOCC(O)CNCC1CC1 34a_102515437182_100000742324 [0,2,0,1,0,0|1,0,0]=4 48412 B12R1.464 CCSCC(C)NCCC1CC1 270004a_100000764129_200011216171 [0,2,0,1,0,0|1,0,0]=4 48413 B12R1.464 COCCC(C)NCCC1CC1 270004a_100000764129_100000742357 [0,2,0,1,0,0|1,0,0]=4 48414 B12R1.464 COCO[C@H](C)COCC1CC1 34a_100016172286_100000742324 [0,2,0,1,0,0|1,0,0]=4 48415 B12R1.464 COCO[C@H](C)COCC1CC1 7a_100016172286_100000742324 [0,2,0,1,0,0|1,0,0]=4 48416 B12R1.464 CSCCC(C)NCCC1CC1 270004a_100000764129_100011217047 [0,2,0,1,0,0|1,0,0]=4 48417 B12R1.464 CSCC[C@H](N)COCC1CC1 34a_100011827619_100000742324 [0,2,0,1,0,0|0,0,0]=3 48418 B12R1.464 CSCC[C@H](N)COCC1CO1 34a_100011827619_102125554688 [0,2,0,1,0,0|1,0,0]=4 48419 B12R1.464 C[C@H](CCCO)CNCC1CC1 2230a_100160569302_100000742324 [0,2,0,1,0,0|1,0,0]=4 48420 B12R1.464 C[C@H](CCCO)CNCC1CC1 269862a_100160569302_100000741477 [0,2,0,1,0,0|1,0,0]=4 48421 B12R1.464 C[C@H](CCCO)CNCC1CC1 34a_100160569302_100000742324 [0,2,0,1,0,0|1,0,0]=4 48422 B12R1.549 CCCCC(C)OCC1CC1C 34a_100000744939_200011215066 [0,2,0,1,0,0|0,0,0]=3 48423 B12R1.549 CCCCC(C)OCC1CC1C 7a_100000744939_200011215066 [0,2,0,1,0,0|0,0,0]=3 48424 B12R1.561 C#CCCCOC(C)C1CCC1 34a_100000766398_100000695029 [0,2,0,1,0,0|0,0,1]=4 48425 B12R1.561 C#CCCCOC(C)C1CCC1 7a_100000766398_100011215417 [0,2,0,1,0,0|0,0,1]=4 48426 B12R1.561 C=CCCCOC(C)C1CCC1 34a_100000766398_100000757094 [0,2,0,1,0,0|0,0,1]=4 48427 B12R1.561 C=CCCCOC(C)C1CCC1 7a_100000766398_100000757094 [0,2,0,1,0,0|0,0,1]=4 48428 B12R1.561 CC(NCCCCF)C1CCC1 2230a_100016994624_100000729493 [0,2,0,1,0,0|1,0,0]=4 48429 B12R1.561 CC(NCCCCF)C1CCC1 34a_100016994624_100000729493 [0,2,0,1,0,0|1,0,0]=4 48430 B12R1.561 CC(NCCCCO)C1CCC1 2230a_100016994624_100000210776 [0,2,0,1,0,0|1,0,0]=4 48431 B12R1.561 CC(NCCCCO)C1CCC1 269862a_100000750430_100000760154 [0,2,0,1,0,0|1,0,0]=4 48432 B12R1.561 CC(NCCCCO)C1CCC1 34a_100016994624_100011216708 [0,2,0,1,0,0|1,0,0]=4 48433 B12R1.561 CC(OCCCC#N)C1CCC1 7a_100000766398_100000687738 [0,2,0,1,0,0|0,0,1]=4 48434 B12R1.561 CC(OCCCC=O)C1CCC1 7a_100000766398_200011292268 [0,2,0,1,0,0|0,0,1]=4 48435 B12R1.561 CC(OCCCCF)C1CCC1 34a_100000766398_100000729493 [0,2,0,1,0,0|0,0,0]=3 48436 B12R1.561 CC(OCCCCF)C1CCC1 7a_100000766398_100000729493 [0,2,0,1,0,0|0,0,0]=3 48437 B12R1.561 CC(OCCCCO)C1CCC1 34a_100000766398_100011216708 [0,2,0,1,0,0|0,0,0]=3 48438 B12R1.561 CC(OCCCCO)C1CCC1 7a_100000766398_100000210776 [0,2,0,1,0,0|0,0,0]=3 48439 B12R1.561 CC/C=C\COC(C)C1CCC1 34a_100000766398_100103147603 [0,2,0,1,0,0|0,0,1]=4 48440 B12R1.561 CC/C=C\COC(C)C1CCC1 7a_100000766398_100103147603 [0,2,0,1,0,0|0,0,1]=4 48441 B12R1.561 CCC#CCOC(C)C1CCC1 34a_100000766398_100009813939 [0,2,0,1,0,0|0,0,1]=4 48442 B12R1.561 CCC#CCOC(C)C1CCC1 7a_100000766398_100009813939 [0,2,0,1,0,0|0,0,1]=4 48443 B12R1.561 CCCCCCC(=O)C1CCC1 1458a_100000209988_100000210757 [0,2,0,1,0,0|1,0,0]=4 48444 B12R1.561 CCCCCCC(=O)C1CCC1 1458a_100102632555_100000749161 [0,2,0,1,0,0|1,0,0]=4 48445 B12R1.561 CCCCCCC(C)N1CCC1 269982a_100000754969_100011215978 [0,2,0,1,0,0|1,0,0]=4 48446 B12R1.561 CCCCCCN(C)C1CCC1 2230a_100000758072_100000210314 [0,2,0,1,0,0|1,0,0]=4 48447 B12R1.561 CCCCCCN(C)C1CCC1 269982a_100000758072_100000210757 [0,2,0,1,0,0|1,0,0]=4 48448 B12R1.561 CCCCCCN(C)C1CCC1 269982a_106256046315_100000749161 [0,2,0,1,0,0|1,0,0]=4 48449 B12R1.561 CCCCCCN(C)C1CCC1 270004a_106256046315_100000241760 [0,2,0,1,0,0|1,0,0]=4 48450 B12R1.561 CCCCCCN(C)C1CCC1 34a_100000758072_100000210314 [0,2,0,1,0,0|1,0,0]=4 48451 B12R1.561 CCCCCNC(=O)C1CCC1 11a_100000209983_100000209988 [0,2,0,1,0,0|1,0,0]=4 48452 B12R1.561 CCCCCNC(=O)C1CCC1 1626a_100000209983_100000209988 [0,2,0,1,0,0|1,0,0]=4 48453 B12R1.561 CCCCCNC(=O)C1CCC1 240690a_100000209983_100000209988 [0,2,0,1,0,0|1,0,0]=4 48454 B12R1.561 CCCCCNC(=O)C1CCC1 527a_100000209983_100000209988 [0,2,0,1,0,0|1,0,0]=4 48455 B12R1.561 CCCCCNC(C)C1CCC1 2230a_100016994624_100000210326 [0,2,0,1,0,0|1,0,0]=4 48456 B12R1.561 CCCCCNC(C)C1CCC1 269862a_100000209983_100000760154 [0,2,0,1,0,0|1,0,0]=4 48457 B12R1.561 CCCCCNC(C)C1CCC1 34a_100016994624_100000718602 [0,2,0,1,0,0|1,0,0]=4 48458 B12R1.561 CCCCCOC(C)C1CCC1 34a_100000766398_100000718602 [0,2,0,1,0,0|0,0,0]=3 48459 B12R1.561 CCCCCOC(C)C1CCC1 7a_100000766398_100000210326 [0,2,0,1,0,0|0,0,0]=3 48460 B12R1.561 CCCCNCC(=O)C1CCC1 2230a_100000102301_100000686122 [0,2,0,1,0,0|1,0,0]=4 48461 B12R1.561 CCCCNCC(=O)C1CCC1 7a_106832991798_100000686122 [0,2,0,1,0,0|1,0,0]=4 48462 B12R1.561 CCCCOCC(=O)C1CCC1 1458a_100000209988_100011995733 [0,2,0,1,0,0|0,0,0]=3 48463 B12R1.561 CCCCOCC(=O)C1CCC1 1458a_100000757543_100000749161 [0,2,0,1,0,0|0,0,0]=3 48464 B12R1.561 CCCCOCC(=O)C1CCC1 34a_100000210227_100000686122 [0,2,0,1,0,0|0,0,0]=3 48465 B12R1.561 CCCCOCC(=O)C1CCC1 7a_100000210227_100000686122 [0,2,0,1,0,0|0,0,0]=3 48466 B12R1.561 CCCCOCC(=O)C1CCO1 1458a_100000089072_100011995733 [0,2,0,1,0,0|0,0,1]=4 48467 B12R1.561 CCCCOCC(=O)C1COC1 1458a_100000757543_100000687716 [0,2,0,1,0,0|0,0,1]=4 48468 B12R1.561 CCCCOCC(=O)C1COC1 1458a_100000758290_100011995733 [0,2,0,1,0,0|0,0,1]=4 48469 B12R1.561 CCCCOCC(=O)N1CCC1 11a_100000754969_100000757543 [0,2,0,1,0,0|0,0,1]=4 48470 B12R1.561 CCCCOCC(=O)N1CCC1 240690a_100000754969_100000757543 [0,2,0,1,0,0|0,0,1]=4 48471 B12R1.561 CCCCOCC(=O)N1CCC1 34a_100000210227_100000185095 [0,2,0,1,0,0|0,0,1]=4 48472 B12R1.561 CCCCOCC(=O)N1CCC1 527a_100000754969_100000757543 [0,2,0,1,0,0|0,0,1]=4 48473 B12R1.561 CCCCOCC(=O)N1CCC1 7a_100000210227_100000185095 [0,2,0,1,0,0|0,0,1]=4 48474 B12R1.561 CCCCOCN(C)C1CCC1 2230a_100000758072_100011995733 [0,2,0,1,0,0|0,0,0]=3 48475 B12R1.561 CCCCOCN(C)C1CCC1 269982a_100000758072_100011995733 [0,2,0,1,0,0|0,0,0]=3 48476 B12R1.561 CCCCOCN(C)C1CCC1 34a_100000758072_100011995733 [0,2,0,1,0,0|0,0,0]=3 48477 B12R1.561 CCCCOCN(C)C1COC1 2230a_100102693430_100011995733 [0,2,0,1,0,0|1,0,0]=4 48478 B12R1.561 CCCCOCN(C)C1COC1 269982a_100102693430_100011995733 [0,2,0,1,0,0|1,0,0]=4 48479 B12R1.561 CCCCOC[C@@H](N)C1COC1 34a_217856628679_100000210210 [0,2,0,1,0,0|0,0,0]=3 48480 B12R1.561 CCCCSCC(=O)C1CCC1 1458a_100000191162_100000749161 [0,2,0,1,0,0|0,1,0]=4 48481 B12R1.561 CCCCSCC(=O)C1CCC1 62a_100000210211_100000686122 [0,2,0,1,0,0|0,1,0]=4 48482 B12R1.561 CCCCSCC(=O)C1CCC1 62a_100000686122_100000210210 [0,2,0,1,0,0|0,1,0]=4 48483 B12R1.561 CCCOCCC(=O)C1CCC1 1458a_100000209988_100011215938 [0,2,0,1,0,0|1,0,0]=4 48484 B12R1.561 CCCOCCN(C)C1CCC1 2230a_100000758072_100011215938 [0,2,0,1,0,0|1,0,0]=4 48485 B12R1.561 CCCOCCN(C)C1CCC1 269982a_100000758072_100011215938 [0,2,0,1,0,0|1,0,0]=4 48486 B12R1.561 CCCOCCN(C)C1CCC1 34a_100000758072_100011215938 [0,2,0,1,0,0|1,0,0]=4 48487 B12R1.561 CCOCCCC(=O)C1CCC1 1458a_100000209988_100012232248 [0,2,0,1,0,0|1,0,0]=4 48488 B12R1.561 CCOCCCN(C)C1CCC1 2230a_100000758072_100012232248 [0,2,0,1,0,0|1,0,0]=4 48489 B12R1.561 CCOCCCN(C)C1CCC1 269982a_100000758072_100012232248 [0,2,0,1,0,0|1,0,0]=4 48490 B12R1.561 CCOCCCN(C)C1CCC1 34a_100000758072_100012232248 [0,2,0,1,0,0|1,0,0]=4 48491 B12R1.561 CCOCCNC(C)C1CCC1 2230a_100016994624_100011215890 [0,2,0,1,0,0|1,0,0]=4 48492 B12R1.561 CCOCCNC(C)C1CCC1 269862a_100011200944_100000760154 [0,2,0,1,0,0|1,0,0]=4 48493 B12R1.561 CCOCCNC(C)C1CCC1 34a_100016994624_100000210147 [0,2,0,1,0,0|1,0,0]=4 48494 B12R1.561 CCOCCOC(C)C1CCC1 34a_100000766398_100000210147 [0,2,0,1,0,0|0,0,0]=3 48495 B12R1.561 CCOCCOC(C)C1CCC1 7a_100000766398_100011215890 [0,2,0,1,0,0|0,0,0]=3 48496 B12R1.561 CCSCCNC(C)C1CCC1 2230a_100016994624_100000757381 [0,2,0,1,0,0|1,0,0]=4 48497 B12R1.561 CCSCCNC(C)C1CCC1 269862a_100000106463_100000760154 [0,2,0,1,0,0|1,0,0]=4 48498 B12R1.561 CCSCCNC(C)C1CCC1 34a_100016994624_100000757381 [0,2,0,1,0,0|1,0,0]=4 48499 B12R1.561 CCSCCOC(C)C1CCC1 34a_100000766398_100000757381 [0,2,0,1,0,0|0,0,0]=3 48500 B12R1.561 CCSCCOC(C)C1CCC1 7a_100000766398_100000757381 [0,2,0,1,0,0|0,0,0]=3 48501 B12R1.561 CN(CCCCCF)C1CCC1 2230a_100000758072_100000729378 [0,2,0,1,0,0|1,0,0]=4 48502 B12R1.561 CN(CCCCCF)C1CCC1 269982a_100000758072_100000729378 [0,2,0,1,0,0|1,0,0]=4 48503 B12R1.561 CN(CCCCCF)C1CCC1 34a_100000758072_100000729378 [0,2,0,1,0,0|1,0,0]=4 48504 B12R1.561 CN(CCCCCO)C1CCC1 2230a_100000758072_100000746330 [0,2,0,1,0,0|1,0,0]=4 48505 B12R1.561 CN(CCCCCO)C1CCC1 269982a_100000722520_100000749161 [0,2,0,1,0,0|1,0,0]=4 48506 B12R1.561 CN(CCCCCO)C1CCC1 269982a_100000758072_100000746330 [0,2,0,1,0,0|1,0,0]=4 48507 B12R1.561 CN(CCCCCO)C1CCC1 270004a_100000722520_100000241760 [0,2,0,1,0,0|1,0,0]=4 48508 B12R1.561 CN(CCCCCO)C1CCC1 34a_100000758072_100000746330 [0,2,0,1,0,0|1,0,0]=4 48509 B12R1.561 COCCCCC(=O)C1CCC1 1458a_100000209988_100000755781 [0,2,0,1,0,0|1,0,0]=4 48510 B12R1.561 COCCCCN(C)C1CCC1 2230a_100000758072_100000730899 [0,2,0,1,0,0|1,0,0]=4 48511 B12R1.561 COCCCCN(C)C1CCC1 269982a_100000758072_100000730899 [0,2,0,1,0,0|1,0,0]=4 48512 B12R1.561 COCCCCN(C)C1CCC1 34a_100000758072_100000755781 [0,2,0,1,0,0|1,0,0]=4 48513 B12R1.561 COCCCNC(C)C1CCC1 2230a_100016994624_100000740836 [0,2,0,1,0,0|1,0,0]=4 48514 B12R1.561 COCCCNC(C)C1CCC1 269862a_100150723488_100000760154 [0,2,0,1,0,0|1,0,0]=4 48515 B12R1.561 COCCCNC(C)C1CCC1 34a_100016994624_100000740836 [0,2,0,1,0,0|1,0,0]=4 48516 B12R1.561 COCCCOC(C)C1CCC1 34a_100000766398_100000740836 [0,2,0,1,0,0|0,0,0]=3 48517 B12R1.561 COCCCOC(C)C1CCC1 7a_100000766398_100000740836 [0,2,0,1,0,0|0,0,0]=3 48518 B12R1.561 COCCOCC(=O)C1CCC1 1458a_100000211095_100000749161 [0,2,0,1,0,0|1,0,0]=4 48519 B12R1.561 COCCOCC(=O)C1CCC1 34a_100000210237_100000686122 [0,2,0,1,0,0|1,0,0]=4 48520 B12R1.561 COCCOCN(C)C1CCC1 2230a_100000758072_100000231047 [0,2,0,1,0,0|1,0,0]=4 48521 B12R1.561 COCCOCN(C)C1CCC1 269982a_100000758072_100000231047 [0,2,0,1,0,0|1,0,0]=4 48522 B12R1.561 COCCOC[C@@H](N)C1COC1 34a_217856628679_100011201679 [0,2,0,1,0,0|1,0,0]=4 48523 B12R1.561 CSCCCNC(C)C1CCC1 269862a_100000749238_100000760154 [0,2,0,1,0,0|1,0,0]=4 48524 B12R1.561 CSCCOCC(=O)C1CCC1 34a_100000230434_100000686122 [0,2,0,1,0,0|1,0,0]=4 48525 B12R1.561 CSCCOCC(=O)C1CCC1 7a_100000230434_100000686122 [0,2,0,1,0,0|1,0,0]=4 48526 B12R1.561 CSCCOC[C@@H](N)C1COC1 34a_217856628679_100000212216 [0,2,0,1,0,0|1,0,0]=4 48527 B12R1.561 NCCCOCC(=O)C1CCC1 34a_100000182051_100000686122 [0,2,0,1,0,0|1,0,0]=4 48528 B12R1.561 N[C@H](COCCCF)C1COC1 34a_217856628679_100011934791 [0,2,0,1,0,0|1,0,0]=4 48529 B12R1.561 N[C@H](COCCCO)C1COC1 34a_217856628679_100000230001 [0,2,0,1,0,0|1,0,0]=4 48530 B12R1.561 O=C(CCCCCF)C1CCC1 1458a_100000209988_100000729378 [0,2,0,1,0,0|1,0,0]=4 48531 B12R1.561 O=C(CCCCCO)C1CCC1 1458a_100000209988_100000746330 [0,2,0,1,0,0|1,0,0]=4 48532 B12R1.561 O=C(CCCCCO)C1CCC1 1458a_100102619762_100000749161 [0,2,0,1,0,0|1,0,0]=4 48533 B12R1.561 O=C(COCCCBr)C1CCC1 34a_100011217188_100000686122 [0,2,0,1,0,0|1,0,0]=4 48534 B12R1.561 O=C(COCCCCl)C1CCC1 34a_100000230001_100000686122 [0,2,0,1,0,0|1,0,0]=4 48535 B12R1.561 O=C(COCCCF)C1CCC1 34a_100000759539_100000686122 [0,2,0,1,0,0|1,0,0]=4 48536 B12R1.567 CC1CCC(N1CCCCF)C 2230a_100000687148_100000729493 [0,2,0,1,0,0|1,0,0]=4 48537 B12R1.567 CC1CCC(N1CCCCF)C 269982a_100000687148_100000729493 [0,2,0,1,0,0|1,0,0]=4 48538 B12R1.567 CC1CCC(N1CCCCF)C 34a_100000687148_100000729493 [0,2,0,1,0,0|1,0,0]=4 48539 B12R1.567 CC1CCC(N1CCCCO)C 2230a_100000687148_100000210776 [0,2,0,1,0,0|1,0,0]=4 48540 B12R1.567 CC1CCC(N1CCCCO)C 269982a_100000687148_100000210776 [0,2,0,1,0,0|1,0,0]=4 48541 B12R1.567 CC1CCC(N1CCCCO)C 34a_100000687148_100011216708 [0,2,0,1,0,0|1,0,0]=4 48542 B12R1.567 CCCCCN1C(CCC1C)C 2230a_100000687148_100000210326 [0,2,0,1,0,0|1,0,0]=4 48543 B12R1.567 CCCCCN1C(CCC1C)C 269982a_100000687148_100000210215 [0,2,0,1,0,0|1,0,0]=4 48544 B12R1.567 CCCCCN1C(CCC1C)C 34a_100000687148_100000718602 [0,2,0,1,0,0|1,0,0]=4 48545 B12R1.567 CCOCCN1C(CCC1C)C 2230a_100000687148_100011215890 [0,2,0,1,0,0|1,0,0]=4 48546 B12R1.567 CCOCCN1C(CCC1C)C 269982a_100000687148_100011215890 [0,2,0,1,0,0|1,0,0]=4 48547 B12R1.567 CCOCCN1C(CCC1C)C 34a_100000687148_100000210147 [0,2,0,1,0,0|1,0,0]=4 48548 B12R1.567 CCSCCN1C(CCC1C)C 2230a_100000687148_100000757381 [0,2,0,1,0,0|1,0,0]=4 48549 B12R1.567 CCSCCN1C(CCC1C)C 269982a_100000687148_100000757381 [0,2,0,1,0,0|1,0,0]=4 48550 B12R1.567 CCSCCN1C(CCC1C)C 34a_100000687148_100000757381 [0,2,0,1,0,0|1,0,0]=4 48551 B12R1.567 COCCCN1C(CCC1C)C 2230a_100000687148_100000740836 [0,2,0,1,0,0|1,0,0]=4 48552 B12R1.567 COCCCN1C(CCC1C)C 269982a_100000687148_100000740836 [0,2,0,1,0,0|1,0,0]=4 48553 B12R1.567 COCCCN1C(CCC1C)C 34a_100000687148_100000740836 [0,2,0,1,0,0|1,0,0]=4 48554 B12R1.925 CCCCC(C)OC1CCC1=O 34a_100000687866_100009892977 [0,2,0,1,0,0|0,0,1]=4 48555 B12R1.925 CCCCC(C)OC1CCC1=O 7a_100000687866_100009892977 [0,2,0,1,0,0|0,0,1]=4 48556 B12R1.1758 C#CCCCOC1(CCCC1)C 34a_100000751722_100000695029 [0,2,0,1,0,0|0,0,1]=4 48557 B12R1.1758 C#CCCCOC1(CCCC1)C 7a_100000751722_100011215417 [0,2,0,1,0,0|0,0,1]=4 48558 B12R1.1758 C=CCCCOC1(CCCC1)C 34a_100000751722_100000757094 [0,2,0,1,0,0|0,0,1]=4 48559 B12R1.1758 C=CCCCOC1(CCCC1)C 7a_100000751722_100000757094 [0,2,0,1,0,0|0,0,1]=4 48560 B12R1.1758 CC/C=C\COC1(CCCC1)C 34a_100000751722_100103147603 [0,2,0,1,0,0|0,0,1]=4 48561 B12R1.1758 CC/C=C\COC1(CCCC1)C 7a_100000751722_100103147603 [0,2,0,1,0,0|0,0,1]=4 48562 B12R1.1758 CC1(CCCC1)OCCCC#N 7a_100000751722_100000687738 [0,2,0,1,0,0|0,0,1]=4 48563 B12R1.1758 CC1(CCCC1)OCCCC=O 7a_100000751722_200011292268 [0,2,0,1,0,0|0,0,1]=4 48564 B12R1.1758 CC1(CCCC1)OCCCCF 34a_100000751722_100000729493 [0,2,0,1,0,0|0,0,0]=3 48565 B12R1.1758 CC1(CCCC1)OCCCCF 7a_100000751722_100000729493 [0,2,0,1,0,0|0,0,0]=3 48566 B12R1.1758 CC1(CCCC1)OCCCCO 34a_100000751722_100011216708 [0,2,0,1,0,0|0,0,0]=3 48567 B12R1.1758 CC1(CCCC1)OCCCCO 7a_100000751722_100000210776 [0,2,0,1,0,0|0,0,0]=3 48568 B12R1.1758 CCC#CCOC1(CCCC1)C 34a_100000751722_100009813939 [0,2,0,1,0,0|0,0,1]=4 48569 B12R1.1758 CCC#CCOC1(CCCC1)C 7a_100000751722_100009813939 [0,2,0,1,0,0|0,0,1]=4 48570 B12R1.1758 CCCCCNC1(CCOC1)C 2230a_100000693475_100000210326 [0,2,0,1,0,0|1,0,0]=4 48571 B12R1.1758 CCCCCOC1(CCCC1)C 34a_100000751722_100000718602 [0,2,0,1,0,0|0,0,0]=3 48572 B12R1.1758 CCCCCOC1(CCCC1)C 7a_100000751722_100000210326 [0,2,0,1,0,0|0,0,0]=3 48573 B12R1.1758 CCCCNCC1(CCCC1)O 2230a_100000737848_100000210211 [0,2,0,1,0,0|1,0,0]=4 48574 B12R1.1758 CCCCOCC1(CCCC1)N 34a_100000749328_100000210210 [0,2,0,1,0,0|0,0,0]=3 48575 B12R1.1758 CCCCOC[C@@]1(CCCN1)C 34a_100016195882_100000210210 [0,2,0,1,0,0|0,0,0]=3 48576 B12R1.1758 CCCNCCC1(CCCC1)O 34a_100000719956_100000210303 [0,2,0,1,0,0|1,0,0]=4 48577 B12R1.1758 CCOCCOC1(CCCC1)C 34a_100000751722_100000210147 [0,2,0,1,0,0|0,0,0]=3 48578 B12R1.1758 CCOCCOC1(CCCC1)C 7a_100000751722_100011215890 [0,2,0,1,0,0|0,0,0]=3 48579 B12R1.1758 CCSCCOC1(CCCC1)C 34a_100000751722_100000757381 [0,2,0,1,0,0|0,0,0]=3 48580 B12R1.1758 CCSCCOC1(CCCC1)C 7a_100000751722_100000757381 [0,2,0,1,0,0|0,0,0]=3 48581 B12R1.1758 COCCCOC1(CCCC1)C 34a_100000751722_100000740836 [0,2,0,1,0,0|0,0,0]=3 48582 B12R1.1758 COCCCOC1(CCCC1)C 7a_100000751722_100000740836 [0,2,0,1,0,0|0,0,0]=3 48583 B12R1.1758 COCCOCC1(CCCC1)N 34a_100000749328_100011201679 [0,2,0,1,0,0|1,0,0]=4 48584 B12R1.1758 COCCOC[C@@]1(CCCN1)C 34a_100016195882_100011201679 [0,2,0,1,0,0|1,0,0]=4 48585 B12R1.1758 CSCCOCC1(CCCC1)N 34a_100000749328_100000212216 [0,2,0,1,0,0|1,0,0]=4 48586 B12R1.1758 CSCCOC[C@@]1(CCCN1)C 34a_100016195882_100000212216 [0,2,0,1,0,0|1,0,0]=4 48587 B12R1.1758 C[C@]1(CCCN1)COCCCF 34a_100016195882_100011934791 [0,2,0,1,0,0|1,0,0]=4 48588 B12R1.1758 C[C@]1(CCCN1)COCCCO 34a_100016195882_100000230001 [0,2,0,1,0,0|1,0,0]=4 48589 B12R1.1758 NC1(CCCC1)COCCCF 34a_100000749328_100011934791 [0,2,0,1,0,0|1,0,0]=4 48590 B12R1.1758 NC1(CCCC1)COCCCO 34a_100000749328_100000230001 [0,2,0,1,0,0|1,0,0]=4 48591 B12R1.1761 CCC1CN(C1)CCCCCF 2230a_100015205115_100000729378 [0,2,0,1,0,0|1,0,0]=4 48592 B12R1.1761 CCC1CN(C1)CCCCCF 269982a_100015205115_100000729378 [0,2,0,1,0,0|1,0,0]=4 48593 B12R1.1761 CCC1CN(C1)CCCCCO 2230a_100015205115_100000746330 [0,2,0,1,0,0|1,0,0]=4 48594 B12R1.1761 CCC1CN(C1)CCCCCO 269982a_100015205115_100000746330 [0,2,0,1,0,0|1,0,0]=4 48595 B12R1.1761 CCC1CN(C1)CCCCOC 2230a_100015205115_100000730899 [0,2,0,1,0,0|1,0,0]=4 48596 B12R1.1761 CCC1CN(C1)CCCCOC 269982a_100015205115_100000730899 [0,2,0,1,0,0|1,0,0]=4 48597 B12R1.1761 CCC1CN(C1)COCCOC 2230a_100015205115_100000231047 [0,2,0,1,0,0|1,0,0]=4 48598 B12R1.1761 CCC1CN(C1)COCCOC 269982a_100015205115_100000231047 [0,2,0,1,0,0|1,0,0]=4 48599 B12R1.1761 CCCCCCN1CC(C1)CC 2230a_100015205115_100000210314 [0,2,0,1,0,0|1,0,0]=4 48600 B12R1.1761 CCCCCCN1CC(C1)CC 269982a_100015205115_100000210757 [0,2,0,1,0,0|1,0,0]=4 48601 B12R1.1761 CCCCCNC1CC(C1)C#N 270004a_100000209983_100000077199 [0,2,0,1,0,0|1,0,0]=4 48602 B12R1.1761 CCCCCNC1CC(C1)CO 270004a_100000209983_100000101936 [0,2,0,1,0,0|1,0,0]=4 48603 B12R1.1761 CCCCCNC1CN(C1)CC 2230a_200015199589_100000210326 [0,2,0,1,0,0|1,0,0]=4 48604 B12R1.1761 CCCCCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000210326 [0,2,0,1,0,0|1,0,0]=4 48605 B12R1.1761 CCCCCSC1CC(C1)CO 62a_100000210326_100009874164 [0,2,0,1,0,0|0,1,0]=4 48606 B12R1.1761 CCCCCSC1CC(C1)CO 62a_100009874164_100000210326 [0,2,0,1,0,0|0,1,0]=4 48607 B12R1.1761 CCCCOCN1CC(C1)CC 2230a_100015205115_100011995733 [0,2,0,1,0,0|0,0,0]=3 48608 B12R1.1761 CCCCOCN1CC(C1)CC 269982a_100015205115_100011995733 [0,2,0,1,0,0|0,0,0]=3 48609 B12R1.1761 CCCCOCN1CC(C1)CF 269982a_100010363649_100011995733 [0,2,0,1,0,0|1,0,0]=4 48610 B12R1.1761 CCCCOCN1CC(C1)CF 34a_100010363649_100011995733 [0,2,0,1,0,0|1,0,0]=4 48611 B12R1.1761 CCCCOCN1CC(C1)CO 269982a_100016987283_100011995733 [0,2,0,1,0,0|1,0,0]=4 48612 B12R1.1761 CCCCOCN1CC(C1)CO 34a_100016987283_100011995733 [0,2,0,1,0,0|1,0,0]=4 48613 B12R1.1761 CCCCOCN1CC(C1)OC 269982a_100000755009_100011995733 [0,2,0,1,0,0|1,0,0]=4 48614 B12R1.1761 CCCCOCN1CC(C1)SC 269982a_100016990038_100011995733 [0,2,0,1,0,0|1,0,0]=4 48615 B12R1.1761 CCCOCCN1CC(C1)CC 2230a_100015205115_100011215938 [0,2,0,1,0,0|1,0,0]=4 48616 B12R1.1761 CCCOCCN1CC(C1)CC 269982a_100015205115_100011215938 [0,2,0,1,0,0|1,0,0]=4 48617 B12R1.1761 CCOCCCN1CC(C1)CC 2230a_100015205115_100012232248 [0,2,0,1,0,0|1,0,0]=4 48618 B12R1.1761 CCOCCCN1CC(C1)CC 269982a_100015205115_100012232248 [0,2,0,1,0,0|1,0,0]=4 48619 B12R1.1785 CCCNC1(CCCCCC1)C 2230a_100000704638_100000210303 [0,2,0,1,0,0|1,0,0]=4 48620 B12R1.1785 CCCNC1(CCCCCC1)C 34a_100000704638_100000210303 [0,2,0,1,0,0|1,0,0]=4 48621 B12R1.1785 CCCOC1(CCCCCC1)C 34a_100000708895_100000210303 [0,2,0,1,0,0|1,0,0]=4 48622 B12R1.1785 CCCOC1(CCCCCC1)C 7a_100000708895_100000210303 [0,2,0,1,0,0|1,0,0]=4 48623 B12R1.34 CCC(C)C(=O)C1CCCCO1 1458a_100000748299_100000758301 [0,2,0,1,0,0|0,0,1]=4 48624 B12R1.108 CCC(=O)C(C)OC1CCCC1 7a_100000210269_100000742827 [0,2,0,1,0,0|0,0,1]=4 48625 B12R1.108 CCC(C)C(C)NC1CCCC1 269862a_100000211070_100000210599 [0,2,0,1,0,0|1,0,0]=4 48626 B12R1.108 CCC(C)C(C)NC1CCCC1 270004a_100000211070_100000210599 [0,2,0,1,0,0|1,0,0]=4 48627 B12R1.108 CCC(C)C(C)OC1CCCC1 7a_100011215189_100000179811 [0,2,0,1,0,0|0,0,0]=3 48628 B12R1.108 CCC(C)C(C)OC1CCOC1 7a_100011215189_100000731011 [0,2,0,1,0,0|1,0,0]=4 48629 B12R1.385 CCCCN1CCC(C(C1)C)O 2230a_100011998114_100000210211 [0,2,0,1,0,0|1,0,0]=4 48630 B12R1.385 CCCCN1CCC(C(C1)C)O 269982a_100011998114_100000210211 [0,2,0,1,0,0|1,0,0]=4 48631 B12R1.385 CCCCN1CCC(C(C1)O)C 2230a_100000696640_100000210211 [0,2,0,1,0,0|1,0,0]=4 48632 B12R1.385 CCCCN1CCC(C(C1)O)C 269982a_100000696640_100000210211 [0,2,0,1,0,0|1,0,0]=4 48633 B12R1.385 CCCCN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_100000210211 [0,2,0,1,0,0|1,0,0]=4 48634 B12R1.385 CCCCN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_100000210211 [0,2,0,1,0,0|1,0,0]=4 48635 B12R1.385 CCCCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000210211 [0,2,0,1,0,0|1,0,0]=4 48636 B12R1.385 CCCCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000210211 [0,2,0,1,0,0|1,0,0]=4 48637 B12R1.468 CCC(C)C(C)N1CCC[C@@H]1C 270004a_100020605311_100000210599 [0,2,0,1,0,0|1,0,0]=4 48638 B12R1.468 CCC(C)C(C)N1CCC[C@H]1C 270004a_100015189458_100000210599 [0,2,0,1,0,0|1,0,0]=4 48639 B12R1.470 CCC(C)C(C)NCC1CCC1 269862a_100000738700_100000210599 [0,2,0,1,0,0|1,0,0]=4 48640 B12R1.470 CCC(C)C(C)NCC1CCC1 270004a_100000738700_100000210599 [0,2,0,1,0,0|1,0,0]=4 48641 B12R1.470 CCC(C)C(C)OCC1CCC1 7a_100011215189_100000763275 [0,2,0,1,0,0|0,0,0]=3 48642 B12R1.470 CCC(C)C(C)OCC1CCO1 7a_100011215189_100000103362 [0,2,0,1,0,0|1,0,0]=4 48643 B12R1.470 CCC(C)C(C)OCC1COC1 7a_100011215189_100010264016 [0,2,0,1,0,0|1,0,0]=4 48644 B12R1.471 CCC(=O)C(C)OCCC1CC1 7a_100000754188_100000742827 [0,2,0,1,0,0|0,0,1]=4 48645 B12R1.471 CCC(C)C(C)NCCC1CC1 269862a_100000764129_100000210599 [0,2,0,1,0,0|1,0,0]=4 48646 B12R1.471 CCC(C)C(C)NCCC1CC1 270004a_100000764129_100000210599 [0,2,0,1,0,0|1,0,0]=4 48647 B12R1.471 CCC(C)C(C)OCCC1CC1 7a_100011215189_100000764125 [0,2,0,1,0,0|0,0,0]=3 48648 B12R1.471 CCC(C)C(C)OCCC1CO1 7a_100011215189_100000732470 [0,2,0,1,0,0|1,0,0]=4 48649 B12R1.471 CCN(C)C(C)COCC1CC1 7a_100000732741_100000742324 [0,2,0,1,0,0|1,0,0]=4 48650 B12R1.527 CCCCOC1CCN(C1=O)C 34a_100000210227_100000755940 [0,2,0,1,0,0|1,0,0]=4 48651 B12R1.527 CCCCOC1CCN(C1=O)C 7a_100000210227_100000755940 [0,2,0,1,0,0|1,0,0]=4 48652 B12R1.562 CCCCCNC(C)C1(CC1)C 269862a_100000209983_100000184723 [0,2,0,1,0,0|1,0,0]=4 48653 B12R1.562 CCCCCNC(C)C1(CC1)F 269862a_100000209983_100000052362 [0,2,0,1,0,0|1,0,0]=4 48654 B12R1.562 CCCCOCC(=O)C1(CC1)C 1458a_100000756474_100011995733 [0,2,0,1,0,0|0,0,1]=4 48655 B12R1.562 CCCCOCC(=O)C1(CC1)F 1458a_100000055089_100011995733 [0,2,0,1,0,0|0,0,1]=4 48656 B12R1.562 CCCCOCC(=O)C1(CC1)O 1458a_100000241761_100011995733 [0,2,0,1,0,0|0,0,1]=4 48657 B12R1.839 CCC(=O)C(C)OCC1CC1C 7a_100000744939_100000742827 [0,2,0,1,0,0|0,0,1]=4 48658 B12R1.1659 CCC(C)N1CCCCCCC1 2230a_100000211400_100000758301 [0,2,0,1,0,0|1,0,0]=4 48659 B12R1.1659 CCC(C)N1CCCCCCC1 269982a_100000211400_100000758301 [0,2,0,1,0,0|1,0,0]=4 48660 B12R1.1659 CCC(C)N1CCCCCCC1 34a_100000211400_100011215416 [0,2,0,1,0,0|1,0,0]=4 48661 B12R1.1759 CCCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210314 [0,2,0,1,0,0|1,0,0]=4 48662 B12R1.1759 CCCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210757 [0,2,0,1,0,0|1,0,0]=4 48663 B12R1.1759 CCCCOCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011995733 [0,2,0,1,0,0|0,0,0]=3 48664 B12R1.1759 CCCCOCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011995733 [0,2,0,1,0,0|0,0,0]=3 48665 B12R1.1759 CCCOCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011215938 [0,2,0,1,0,0|1,0,0]=4 48666 B12R1.1759 CCCOCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011215938 [0,2,0,1,0,0|1,0,0]=4 48667 B12R1.1759 CCOCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100012232248 [0,2,0,1,0,0|1,0,0]=4 48668 B12R1.1759 CCOCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100012232248 [0,2,0,1,0,0|1,0,0]=4 48669 B12R1.1759 COCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000730899 [0,2,0,1,0,0|1,0,0]=4 48670 B12R1.1759 COCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000730899 [0,2,0,1,0,0|1,0,0]=4 48671 B12R1.1759 COCCOCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000231047 [0,2,0,1,0,0|1,0,0]=4 48672 B12R1.1759 COCCOCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000231047 [0,2,0,1,0,0|1,0,0]=4 48673 B12R1.1759 C[C@H]1[C@H](CN1CCCCCF)O 2230a_206633788156_100000729378 [0,2,0,1,0,0|1,0,0]=4 48674 B12R1.1759 C[C@H]1[C@H](CN1CCCCCF)O 269982a_206633788156_100000729378 [0,2,0,1,0,0|1,0,0]=4 48675 B12R1.1759 C[C@H]1[C@H](CN1CCCCCO)O 2230a_206633788156_100000746330 [0,2,0,1,0,0|1,0,0]=4 48676 B12R1.1759 C[C@H]1[C@H](CN1CCCCCO)O 269982a_206633788156_100000746330 [0,2,0,1,0,0|1,0,0]=4 48677 B12R1.25 CCCNC1CCCC(C1C)C 2230a_100000211273_100000210303 [0,2,0,1,0,0|1,0,0]=4 48678 B12R1.25 CCCNC1CCCC(C1C)C 34a_100000211273_100000210303 [0,2,0,1,0,0|1,0,0]=4 48679 B12R1.25 CCCOC1CCCC(C1C)C 34a_100011217532_100000210303 [0,2,0,1,0,0|1,0,0]=4 48680 B12R1.25 CCCOC1CCCC(C1C)C 7a_100011217532_100000210303 [0,2,0,1,0,0|1,0,0]=4 48681 B12R1.35 CC(OCCCF)C1CCCC1 34a_100011216366_100011934791 [0,2,0,1,0,0|1,0,0]=4 48682 B12R1.35 CC(OCCCF)C1CCCC1 7a_100011216366_100011934791 [0,2,0,1,0,0|1,0,0]=4 48683 B12R1.35 CC(OCCCO)C1CCCC1 34a_100011216366_100000230001 [0,2,0,1,0,0|1,0,0]=4 48684 B12R1.35 CC(OCCCO)C1CCCC1 7a_100011216366_100011215043 [0,2,0,1,0,0|1,0,0]=4 48685 B12R1.35 CCCCCC(=O)C1CCCC1 1458a_100000210718_100000210326 [0,2,0,1,0,0|1,0,0]=4 48686 B12R1.35 CCCCCC(=O)C1CCCC1 1458a_100000212188_100000179811 [0,2,0,1,0,0|1,0,0]=4 48687 B12R1.35 CCCCCC(=O)C1CCCS1 1458a_100012002731_100000210326 [0,2,0,1,0,0|1,0,0]=4 48688 B12R1.35 CCCCCC(=O)C1CCOC1 1458a_100000212188_100000690089 [0,2,0,1,0,0|1,0,0]=4 48689 B12R1.35 CCCCCC(=O)C1CCOC1 1458a_100011219752_100000210326 [0,2,0,1,0,0|1,0,0]=4 48690 B12R1.35 CCCCCC(=O)N1CCCC1 240690a_100000188435_100000212188 [0,2,0,1,0,0|1,0,0]=4 48691 B12R1.35 CCCCCC(=O)N1CCCC1 527a_100000188435_100000212188 [0,2,0,1,0,0|1,0,0]=4 48692 B12R1.35 CCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210326 [0,2,0,1,0,0|1,0,0]=4 48693 B12R1.35 CCCCCC(C)N1CCCC1 2230a_100000188435_200011218191 [0,2,0,1,0,0|1,0,0]=4 48694 B12R1.35 CCCCCC(C)N1CCCC1 269982a_100000188435_200011218191 [0,2,0,1,0,0|1,0,0]=4 48695 B12R1.35 CCCCCC(C)N1CCCC1 270004a_100000188435_100000211708 [0,2,0,1,0,0|1,0,0]=4 48696 B12R1.35 CCCCCN(C)C1CCCC1 2230a_100000207505_100000210326 [0,2,0,1,0,0|1,0,0]=4 48697 B12R1.35 CCCCCN(C)C1CCCC1 2230a_100000223495_100000179811 [0,2,0,1,0,0|1,0,0]=4 48698 B12R1.35 CCCCCN(C)C1CCCC1 269982a_100000207505_100000210215 [0,2,0,1,0,0|1,0,0]=4 48699 B12R1.35 CCCCCN(C)C1CCCC1 269982a_100000223495_100000179811 [0,2,0,1,0,0|1,0,0]=4 48700 B12R1.35 CCCCCN(C)C1CCCC1 270004a_100000223495_100000210133 [0,2,0,1,0,0|1,0,0]=4 48701 B12R1.35 CCCCCN(C)C1CCCC1 34a_100000207505_100000718602 [0,2,0,1,0,0|1,0,0]=4 48702 B12R1.35 CCCCCN(C)C1CCOC1 2230a_100000223495_100000731011 [0,2,0,1,0,0|1,0,0]=4 48703 B12R1.35 CCCCCN(C)C1CCOC1 2230a_100016988252_100000210326 [0,2,0,1,0,0|1,0,0]=4 48704 B12R1.35 CCCCCN(C)C1CCOC1 269982a_100000223495_100000731011 [0,2,0,1,0,0|1,0,0]=4 48705 B12R1.35 CCCCCN(C)C1CCOC1 269982a_100016988252_100000210215 [0,2,0,1,0,0|1,0,0]=4 48706 B12R1.35 CCCCCN(C)C1CCOC1 270004a_100000223495_100000752484 [0,2,0,1,0,0|1,0,0]=4 48707 B12R1.35 CCCCCN(C)C1CCOC1 34a_100016988252_100000718602 [0,2,0,1,0,0|1,0,0]=4 48708 B12R1.35 CCCCCN(C)C1CCSC1 270004a_100000223495_100000212027 [0,2,0,1,0,0|1,0,0]=4 48709 B12R1.35 CCCCNC(=O)C1CCCC1 11a_100000102301_100000210718 [0,2,0,1,0,0|1,0,0]=4 48710 B12R1.35 CCCCNC(=O)C1CCCC1 1626a_100000102301_100000210718 [0,2,0,1,0,0|1,0,0]=4 48711 B12R1.35 CCCCNC(=O)C1CCCC1 240690a_100000102301_100000210718 [0,2,0,1,0,0|1,0,0]=4 48712 B12R1.35 CCCCNC(=O)C1CCCC1 527a_100000102301_100000210718 [0,2,0,1,0,0|1,0,0]=4 48713 B12R1.35 CCCCNC(C)C1CCCC1 2230a_100015185923_100000210211 [0,2,0,1,0,0|1,0,0]=4 48714 B12R1.35 CCCCNC(C)C1CCCC1 269862a_100000102301_100000749594 [0,2,0,1,0,0|1,0,0]=4 48715 B12R1.35 CCCCNC(C)C1CCCC1 270004a_100000102301_100000749594 [0,2,0,1,0,0|1,0,0]=4 48716 B12R1.35 CCCCNC(C)C1CCCC1 34a_100015185923_100000210210 [0,2,0,1,0,0|1,0,0]=4 48717 B12R1.35 CCCCNC(C)C1CCCO1 2230a_100025754208_100000210211 [0,2,0,1,0,0|1,0,0]=4 48718 B12R1.35 CCCCNC(C)C1CCCO1 34a_100025754208_100000210210 [0,2,0,1,0,0|1,0,0]=4 48719 B12R1.35 CCCCOC(C)C1CCCC1 34a_100011216366_100000210210 [0,2,0,1,0,0|0,0,0]=3 48720 B12R1.35 CCCCOC(C)C1CCCC1 7a_100011216366_100000210211 [0,2,0,1,0,0|0,0,0]=3 48721 B12R1.35 CCCOCC(=O)C1CCCC1 1458a_100000745993_100000179811 [0,2,0,1,0,0|1,0,0]=4 48722 B12R1.35 CCCSCC(=O)C1CCCC1 1458a_100000217233_100000179811 [0,2,0,1,0,0|1,0,0]=4 48723 B12R1.35 CCCSCC(C)N1CCCC1 270004a_100000188435_100011343953 [0,2,0,1,0,0|1,0,0]=4 48724 B12R1.35 CCCSCC(C)N1CCCC1 62a_100000210303_200015187269 [0,2,0,1,0,0|1,0,0]=4 48725 B12R1.35 CCCSCC(C)N1CCCC1 62a_200015187269_100000210303 [0,2,0,1,0,0|1,0,0]=4 48726 B12R1.35 CCOCCC(=O)C1CCCC1 1458a_100000210718_100011215890 [0,2,0,1,0,0|1,0,0]=4 48727 B12R1.35 CCOCCC(=O)C1CCCC1 1458a_100000749530_100000179811 [0,2,0,1,0,0|1,0,0]=4 48728 B12R1.35 CCOCCC(C)N1CCCC1 270004a_100000188435_200011216536 [0,2,0,1,0,0|1,0,0]=4 48729 B12R1.35 CCOCCC(C)N1CCCC1 34a_100011935070_100000210202 [0,2,0,1,0,0|1,0,0]=4 48730 B12R1.35 CCOCCC(C)N1CCCC1 7a_100011935070_100000210202 [0,2,0,1,0,0|1,0,0]=4 48731 B12R1.35 CCOCCN(C)C1CCCC1 2230a_100000207505_100011215890 [0,2,0,1,0,0|1,0,0]=4 48732 B12R1.35 CCOCCN(C)C1CCCC1 269982a_100000207505_100011215890 [0,2,0,1,0,0|1,0,0]=4 48733 B12R1.35 CCOCCN(C)C1CCCC1 34a_100000207505_100000210147 [0,2,0,1,0,0|1,0,0]=4 48734 B12R1.35 CCSCCC(=O)C1CCCC1 1458a_100000210718_100000757381 [0,2,0,1,0,0|1,0,0]=4 48735 B12R1.35 CCSCCC(=O)C1CCCC1 1458a_100000230768_100000179811 [0,2,0,1,0,0|1,0,0]=4 48736 B12R1.35 CCSCCN(C)C1CCCC1 2230a_100000207505_100000757381 [0,2,0,1,0,0|1,0,0]=4 48737 B12R1.35 CCSCCN(C)C1CCCC1 269982a_100000207505_100000757381 [0,2,0,1,0,0|1,0,0]=4 48738 B12R1.35 CCSCCN(C)C1CCCC1 34a_100000207505_100000757381 [0,2,0,1,0,0|1,0,0]=4 48739 B12R1.35 CN(CCCCF)C1CCCC1 2230a_100000207505_100000729493 [0,2,0,1,0,0|1,0,0]=4 48740 B12R1.35 CN(CCCCF)C1CCCC1 269982a_100000207505_100000729493 [0,2,0,1,0,0|1,0,0]=4 48741 B12R1.35 CN(CCCCF)C1CCCC1 34a_100000207505_100000729493 [0,2,0,1,0,0|1,0,0]=4 48742 B12R1.35 CN(CCCCO)C1CCCC1 2230a_100000207505_100000210776 [0,2,0,1,0,0|1,0,0]=4 48743 B12R1.35 CN(CCCCO)C1CCCC1 2230a_100000717598_100000179811 [0,2,0,1,0,0|1,0,0]=4 48744 B12R1.35 CN(CCCCO)C1CCCC1 269982a_100000207505_100000210776 [0,2,0,1,0,0|1,0,0]=4 48745 B12R1.35 CN(CCCCO)C1CCCC1 269982a_100000717598_100000179811 [0,2,0,1,0,0|1,0,0]=4 48746 B12R1.35 CN(CCCCO)C1CCCC1 270004a_100000717598_100000210133 [0,2,0,1,0,0|1,0,0]=4 48747 B12R1.35 CN(CCCCO)C1CCCC1 34a_100000207505_100011216708 [0,2,0,1,0,0|1,0,0]=4 48748 B12R1.35 COCCCC(=O)C1CCCC1 1458a_100000210718_100000740836 [0,2,0,1,0,0|1,0,0]=4 48749 B12R1.35 COCCCC(=O)C1CCCC1 1458a_100000741012_100000179811 [0,2,0,1,0,0|1,0,0]=4 48750 B12R1.35 COCCCN(C)C1CCCC1 2230a_100000207505_100000740836 [0,2,0,1,0,0|1,0,0]=4 48751 B12R1.35 COCCCN(C)C1CCCC1 2230a_100000224831_100000179811 [0,2,0,1,0,0|1,0,0]=4 48752 B12R1.35 COCCCN(C)C1CCCC1 269982a_100000207505_100000740836 [0,2,0,1,0,0|1,0,0]=4 48753 B12R1.35 COCCCN(C)C1CCCC1 269982a_100000224831_100000179811 [0,2,0,1,0,0|1,0,0]=4 48754 B12R1.35 COCCCN(C)C1CCCC1 270004a_100000224831_100000210133 [0,2,0,1,0,0|1,0,0]=4 48755 B12R1.35 COCCCN(C)C1CCCC1 34a_100000207505_100000740836 [0,2,0,1,0,0|1,0,0]=4 48756 B12R1.35 COCCOC(C)C1CCCC1 34a_100011216366_100011201679 [0,2,0,1,0,0|1,0,0]=4 48757 B12R1.35 COCCOC(C)C1CCCC1 7a_100011216366_100000233755 [0,2,0,1,0,0|1,0,0]=4 48758 B12R1.35 CSCCCC(=O)C1CCCC1 1458a_100000173376_100000179811 [0,2,0,1,0,0|1,0,0]=4 48759 B12R1.35 CSCCCC(C)N1CCCC1 270004a_100000188435_100011399439 [0,2,0,1,0,0|1,0,0]=4 48760 B12R1.35 CSCCOC(C)C1CCCC1 34a_100011216366_100000212216 [0,2,0,1,0,0|1,0,0]=4 48761 B12R1.35 CSCCOC(C)C1CCCC1 7a_100011216366_100000212216 [0,2,0,1,0,0|1,0,0]=4 48762 B12R1.35 O=C(CCCCF)C1CCCC1 1458a_100000210718_100000729493 [0,2,0,1,0,0|1,0,0]=4 48763 B12R1.35 O=C(CCCCO)C1CCCC1 1458a_100000210718_100000210776 [0,2,0,1,0,0|1,0,0]=4 48764 B12R1.35 O=C(CCCCO)C1CCCC1 1458a_100000695505_100000179811 [0,2,0,1,0,0|1,0,0]=4 48765 B12R1.55 CCCC(C)C(=O)C1CCCC1 1458a_100000210718_100000766640 [0,2,0,1,0,0|1,0,0]=4 48766 B12R1.55 CCCC(C)C(=O)C1CCCC1 1458a_100000210906_100000179811 [0,2,0,1,0,0|1,0,0]=4 48767 B12R1.55 CCCC(C)C(C)N1CCCC1 270004a_100000188435_100011216282 [0,2,0,1,0,0|1,0,0]=4 48768 B12R1.55 CCCC(C)N(C)C1CCCC1 2230a_100000207505_100000766640 [0,2,0,1,0,0|1,0,0]=4 48769 B12R1.55 CCCC(C)N(C)C1CCCC1 269982a_100000207505_100000766640 [0,2,0,1,0,0|1,0,0]=4 48770 B12R1.55 CCCC(C)N(C)C1CCCC1 270004a_100000207505_100000211909 [0,2,0,1,0,0|1,0,0]=4 48771 B12R1.55 CCCC(C)N(C)C1CCCC1 34a_100000207505_100000766640 [0,2,0,1,0,0|1,0,0]=4 48772 B12R1.55 CCC[C@H](O)C(=O)C1CCCC1 1458a_100009822183_100000179811 [0,2,0,1,0,0|1,0,0]=4 48773 B12R1.458 CCCCCN1CCC1COC 2230a_100015195929_100000210326 [0,2,0,1,0,0|1,0,0]=4 48774 B12R1.458 CCCCCN1CCC1COC 269982a_100015195929_100000210215 [0,2,0,1,0,0|1,0,0]=4 48775 B12R1.458 CCCCCN1CCC1COC 34a_100015195929_100000718602 [0,2,0,1,0,0|1,0,0]=4 48776 B12R1.458 CCOCCN1CCC1COC 2230a_100015195929_100011215890 [0,2,0,1,0,0|1,0,0]=4 48777 B12R1.458 CCOCCN1CCC1COC 269982a_100015195929_100011215890 [0,2,0,1,0,0|1,0,0]=4 48778 B12R1.458 CCOCCN1CCC1COC 34a_100015195929_100000210147 [0,2,0,1,0,0|1,0,0]=4 48779 B12R1.458 CCSCCN1CCC1COC 2230a_100015195929_100000757381 [0,2,0,1,0,0|1,0,0]=4 48780 B12R1.458 CCSCCN1CCC1COC 269982a_100015195929_100000757381 [0,2,0,1,0,0|1,0,0]=4 48781 B12R1.458 CCSCCN1CCC1COC 34a_100015195929_100000757381 [0,2,0,1,0,0|1,0,0]=4 48782 B12R1.458 COCC1CCN1CCCCF 2230a_100015195929_100000729493 [0,2,0,1,0,0|1,0,0]=4 48783 B12R1.458 COCC1CCN1CCCCF 269982a_100015195929_100000729493 [0,2,0,1,0,0|1,0,0]=4 48784 B12R1.458 COCC1CCN1CCCCF 34a_100015195929_100000729493 [0,2,0,1,0,0|1,0,0]=4 48785 B12R1.458 COCC1CCN1CCCCO 2230a_100015195929_100000210776 [0,2,0,1,0,0|1,0,0]=4 48786 B12R1.458 COCC1CCN1CCCCO 269982a_100015195929_100000210776 [0,2,0,1,0,0|1,0,0]=4 48787 B12R1.458 COCC1CCN1CCCCO 34a_100015195929_100011216708 [0,2,0,1,0,0|1,0,0]=4 48788 B12R1.458 COCCCN1CCC1COC 2230a_100015195929_100000740836 [0,2,0,1,0,0|1,0,0]=4 48789 B12R1.458 COCCCN1CCC1COC 269982a_100015195929_100000740836 [0,2,0,1,0,0|1,0,0]=4 48790 B12R1.458 COCCCN1CCC1COC 34a_100015195929_100000740836 [0,2,0,1,0,0|1,0,0]=4 48791 B12R1.481 CCC1CC1C(=O)CCCCF 1458a_200011661523_100000729493 [0,2,0,1,0,0|1,0,0]=4 48792 B12R1.481 CCC1CC1C(=O)CCCCO 1458a_200011661523_100000210776 [0,2,0,1,0,0|1,0,0]=4 48793 B12R1.481 CCC1CC1C(=O)CCCOC 1458a_200011661523_100000740836 [0,2,0,1,0,0|1,0,0]=4 48794 B12R1.481 CCCCCC(=O)C1CC1CC 1458a_200011661523_100000210326 [0,2,0,1,0,0|1,0,0]=4 48795 B12R1.481 CCCCNC(=O)C1CC1CC 11a_100000102301_200011661523 [0,2,0,1,0,0|1,0,0]=4 48796 B12R1.481 CCCCNC(=O)C1CC1CC 1626a_100000102301_200011661523 [0,2,0,1,0,0|1,0,0]=4 48797 B12R1.481 CCCCNC(=O)C1CC1CC 240690a_100000102301_200011661523 [0,2,0,1,0,0|1,0,0]=4 48798 B12R1.481 CCCCNC(=O)C1CC1CC 527a_100000102301_200011661523 [0,2,0,1,0,0|1,0,0]=4 48799 B12R1.481 CCOCCC(=O)C1CC1CC 1458a_200011661523_100011215890 [0,2,0,1,0,0|1,0,0]=4 48800 B12R1.481 CCSCCC(=O)C1CC1CC 1458a_200011661523_100000757381 [0,2,0,1,0,0|1,0,0]=4 48801 B12R1.486 CCCCCC(=O)C1CC(C1)C 1458a_100000686124_100000210326 [0,2,0,1,0,0|1,0,0]=4 48802 B12R1.486 CCCCCC(=O)C1CC(C1)F 1458a_100000062598_100000210326 [0,2,0,1,0,0|1,0,0]=4 48803 B12R1.486 CCCCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210326 [0,2,0,1,0,0|1,0,0]=4 48804 B12R1.553 CCCC(C)C(=O)C1CC1CC 1458a_200011661523_100000766640 [0,2,0,1,0,0|1,0,0]=4 48805 B12R1.555 CCCC(C)C(=O)CC1CCC1 1458a_100000210906_100000763275 [0,2,0,1,0,0|1,0,0]=4 48806 B12R1.555 CCCC(C)C(=O)CC1CCC1 1458a_100000763092_100000766640 [0,2,0,1,0,0|1,0,0]=4 48807 B12R1.555 CCCC(C)C(C)OC1CCC1 34a_100000708338_100000749161 [0,2,0,1,0,0|0,0,0]=3 48808 B12R1.555 CCCC(C)C(C)OC1COC1 34a_100000708338_100009818527 [0,2,0,1,0,0|1,0,0]=4 48809 B12R1.555 CCCC(C)C(C)OC1COC1 7a_100000708338_100009818527 [0,2,0,1,0,0|1,0,0]=4 48810 B12R1.555 CCCC(C)N(C)CC1CCC1 2230a_200000750244_100000766640 [0,2,0,1,0,0|1,0,0]=4 48811 B12R1.555 CCCC(C)N(C)CC1CCC1 269982a_200000750244_100000766640 [0,2,0,1,0,0|1,0,0]=4 48812 B12R1.555 CCCC(C)N(C)CC1CCC1 270004a_200000750244_100000211909 [0,2,0,1,0,0|1,0,0]=4 48813 B12R1.555 CCCC(C)N(C)CC1CCC1 34a_200000750244_100000766640 [0,2,0,1,0,0|1,0,0]=4 48814 B12R1.555 CCC[C@H](O)C(=O)CC1CCC1 1458a_100009822183_100000763275 [0,2,0,1,0,0|1,0,0]=4 48815 B12R1.556 CCCC(C)C(=O)CCC1CC1 1458a_100000210906_100000694398 [0,2,0,1,0,0|1,0,0]=4 48816 B12R1.556 CCCC(C)C(=O)CCC1CC1 1458a_100000756386_100000766640 [0,2,0,1,0,0|1,0,0]=4 48817 B12R1.556 CCCC(C)C(C)NCC1CC1 270004a_100000735609_100011216282 [0,2,0,1,0,0|1,0,0]=4 48818 B12R1.556 CCCC(C)C(C)OCC1CC1 34a_100000708338_100000742324 [0,2,0,1,0,0|0,0,0]=3 48819 B12R1.556 CCCC(C)C(C)OCC1CC1 7a_100000708338_100000742324 [0,2,0,1,0,0|0,0,0]=3 48820 B12R1.556 CCCC(C)C(C)OCC1CO1 34a_100000708338_102125554688 [0,2,0,1,0,0|1,0,0]=4 48821 B12R1.556 CCCC(C)C(C)OCC1CO1 7a_100000708338_102125554688 [0,2,0,1,0,0|1,0,0]=4 48822 B12R1.556 CCCC(C)C(C)OCC1CS1 7a_100000708338_100000031435 [0,2,0,1,0,0|1,0,0]=4 48823 B12R1.556 CCCC(C)C(C)OC[C@@H]1CO1 7a_100000708338_100000745022 [0,2,0,1,0,0|1,0,0]=4 48824 B12R1.556 CCC[C@H](O)C(=O)CCC1CC1 1458a_100009822183_100000694398 [0,2,0,1,0,0|1,0,0]=4 48825 B12R1.2133 CCCCCC(=O)C1(CCC1)C 1458a_100000684636_100000210326 [0,2,0,1,0,0|1,0,0]=4 48826 B12R1.2133 CCCCCC(=O)C1(CCC1)O 1458a_100000242746_100000210326 [0,2,0,1,0,0|1,0,0]=4 48827 B12R1.2133 CCCCOC(C)C1(COC1)C 7a_200021536307_100000210211 [0,2,0,1,0,0|1,0,0]=4 48828 B12R1.3204 CCCCO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100000210210 [0,2,0,1,0,0|0,0,0]=3 48829 B12R1.3204 COCCO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100011201679 [0,2,0,1,0,0|1,0,0]=4 48830 B12R1.3204 CSCCO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100000212216 [0,2,0,1,0,0|1,0,0]=4 48831 B12R1.3204 C[C@]1(CCC[C@H]1N)OCCCF 34a_100015977457_100011934791 [0,2,0,1,0,0|1,0,0]=4 48832 B12R1.3204 C[C@]1(CCC[C@H]1N)OCCCO 34a_100015977457_100000230001 [0,2,0,1,0,0|1,0,0]=4 48833 B12R1.3 CCCC(OC)C1CCCCC1 34a_100011218000_200000210301 [0,2,0,1,0,0|1,0,0]=4 48834 B12R1.3 CCCC(OC)C1CCCCC1 7a_100011218000_200000210301 [0,2,0,1,0,0|1,0,0]=4 48835 B12R1.3 CCCC(O[13CH3])C1CCCCC1 34a_100011218000_200025704644 [0,2,0,1,0,0|1,0,0]=4 48836 B12R1.3 CCCC(O[13CH3])C1CCCCC1 7a_100011218000_200025704644 [0,2,0,1,0,0|1,0,0]=4 48837 B12R1.45 CCC1CCCC1NCCCF 269862a_100015189416_100000749056 [0,2,0,1,0,0|1,0,0]=4 48838 B12R1.45 CCC1CCCC1NCCCF 270004a_100015189416_100000749056 [0,2,0,1,0,0|1,0,0]=4 48839 B12R1.45 CCC1CCCC1NCCCO 269862a_100000182051_100000749056 [0,2,0,1,0,0|1,0,0]=4 48840 B12R1.45 CCC1CCCC1NCCCO 270004a_100000182051_100000749056 [0,2,0,1,0,0|1,0,0]=4 48841 B12R1.45 CCC1CCCC1NCCOC 269862a_100000209980_100000749056 [0,2,0,1,0,0|1,0,0]=4 48842 B12R1.45 CCC1CCCC1NCCOC 270004a_100000209980_100000749056 [0,2,0,1,0,0|1,0,0]=4 48843 B12R1.45 CCC1CCCC1NCCSC 269862a_100020590264_100000749056 [0,2,0,1,0,0|1,0,0]=4 48844 B12R1.45 CCC1CCCC1NCCSC 270004a_100020590264_100000749056 [0,2,0,1,0,0|1,0,0]=4 48845 B12R1.45 CCC1CCCN1CCCCF 2230a_100000754278_100000729493 [0,2,0,1,0,0|1,0,0]=4 48846 B12R1.45 CCC1CCCN1CCCCF 269982a_100000754278_100000729493 [0,2,0,1,0,0|1,0,0]=4 48847 B12R1.45 CCC1CCCN1CCCCF 34a_100000754278_100000729493 [0,2,0,1,0,0|1,0,0]=4 48848 B12R1.45 CCC1CCCN1CCCCO 2230a_100000754278_100000210776 [0,2,0,1,0,0|1,0,0]=4 48849 B12R1.45 CCC1CCCN1CCCCO 269982a_100000754278_100000210776 [0,2,0,1,0,0|1,0,0]=4 48850 B12R1.45 CCC1CCCN1CCCCO 34a_100000754278_100011216708 [0,2,0,1,0,0|1,0,0]=4 48851 B12R1.45 CCC1CCCN1CCCOC 2230a_100000754278_100000740836 [0,2,0,1,0,0|1,0,0]=4 48852 B12R1.45 CCC1CCCN1CCCOC 269982a_100000754278_100000740836 [0,2,0,1,0,0|1,0,0]=4 48853 B12R1.45 CCC1CCCN1CCCOC 34a_100000754278_100000740836 [0,2,0,1,0,0|1,0,0]=4 48854 B12R1.45 CCCCCC1CCCC1NC 269862a_106832991636_200000198059 [0,2,0,1,0,0|1,0,0]=4 48855 B12R1.45 CCCCCC1CCCC1NC 270004a_106832991635_200000198059 [0,2,0,1,0,0|1,0,0]=4 48856 B12R1.45 CCCCCN1CC=CC1CC 2230a_100000730860_100000210326 [0,2,0,1,0,0|1,0,0]=4 48857 B12R1.45 CCCCCN1CC=CC1CC 269982a_100000730860_100000210215 [0,2,0,1,0,0|1,0,0]=4 48858 B12R1.45 CCCCCN1CC=CC1CC 34a_100000730860_100000718602 [0,2,0,1,0,0|1,0,0]=4 48859 B12R1.45 CCCCCN1CCCC1C#N 2230a_100000701862_100000210326 [0,2,0,1,0,0|1,0,0]=4 48860 B12R1.45 CCCCCN1CCCC1CC 2230a_100000754278_100000210326 [0,2,0,1,0,0|1,0,0]=4 48861 B12R1.45 CCCCCN1CCCC1CC 269982a_100000754278_100000210215 [0,2,0,1,0,0|1,0,0]=4 48862 B12R1.45 CCCCCN1CCCC1CC 34a_100000754278_100000718602 [0,2,0,1,0,0|1,0,0]=4 48863 B12R1.45 CCCCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210326 [0,2,0,1,0,0|1,0,0]=4 48864 B12R1.45 CCCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210215 [0,2,0,1,0,0|1,0,0]=4 48865 B12R1.45 CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210326 [0,2,0,1,0,0|1,0,0]=4 48866 B12R1.45 CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210215 [0,2,0,1,0,0|1,0,0]=4 48867 B12R1.45 CCCCCN1CCC[C@@H]1CO 34a_100000745186_100000718602 [0,2,0,1,0,0|1,0,0]=4 48868 B12R1.45 CCCCNC1CCCC1CC 269862a_100000102301_100000749056 [0,2,0,1,0,0|1,0,0]=4 48869 B12R1.45 CCCCNC1CCCC1CC 270004a_100000102301_100000749056 [0,2,0,1,0,0|1,0,0]=4 48870 B12R1.45 CCCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000210210 [0,2,0,1,0,0|0,0,0]=3 48871 B12R1.45 CCCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210211 [0,2,0,1,0,0|0,0,0]=3 48872 B12R1.45 CCCNCC1CCCN1CC 2230a_100000211693_100000210303 [0,2,0,1,0,0|1,0,0]=4 48873 B12R1.45 CCCOC[C@H]1CCCN1CC 34a_100011739246_100000210303 [0,2,0,1,0,0|1,0,0]=4 48874 B12R1.45 CCCOC[C@H]1CCCN1CC 7a_100011739246_100000210303 [0,2,0,1,0,0|1,0,0]=4 48875 B12R1.45 CCOCCN1CCCC1CC 2230a_100000754278_100011215890 [0,2,0,1,0,0|1,0,0]=4 48876 B12R1.45 CCOCCN1CCCC1CC 269982a_100000754278_100011215890 [0,2,0,1,0,0|1,0,0]=4 48877 B12R1.45 CCOCCN1CCCC1CC 34a_100000754278_100000210147 [0,2,0,1,0,0|1,0,0]=4 48878 B12R1.45 CCOCCN1CCC[C@@H]1CO 2230a_100000745186_100011215890 [0,2,0,1,0,0|1,0,0]=4 48879 B12R1.45 CCOCCN1CCC[C@@H]1CO 269982a_100000745186_100011215890 [0,2,0,1,0,0|1,0,0]=4 48880 B12R1.45 CCOCCN1CCC[C@@H]1CO 34a_100000745186_100000210147 [0,2,0,1,0,0|1,0,0]=4 48881 B12R1.45 CCSCCN1CCCC1CC 2230a_100000754278_100000757381 [0,2,0,1,0,0|1,0,0]=4 48882 B12R1.45 CCSCCN1CCCC1CC 269982a_100000754278_100000757381 [0,2,0,1,0,0|1,0,0]=4 48883 B12R1.45 CCSCCN1CCCC1CC 34a_100000754278_100000757381 [0,2,0,1,0,0|1,0,0]=4 48884 B12R1.45 CCSCCN1CCC[C@@H]1CO 2230a_100000745186_100000757381 [0,2,0,1,0,0|1,0,0]=4 48885 B12R1.45 CCSCCN1CCC[C@@H]1CO 269982a_100000745186_100000757381 [0,2,0,1,0,0|1,0,0]=4 48886 B12R1.45 CCSCCN1CCC[C@@H]1CO 34a_100000745186_100000757381 [0,2,0,1,0,0|1,0,0]=4 48887 B12R1.45 COCCCN1CCC[C@@H]1CO 2230a_100000745186_100000740836 [0,2,0,1,0,0|1,0,0]=4 48888 B12R1.45 COCCCN1CCC[C@@H]1CO 269982a_100000745186_100000740836 [0,2,0,1,0,0|1,0,0]=4 48889 B12R1.45 COCCCN1CCC[C@@H]1CO 34a_100000745186_100000740836 [0,2,0,1,0,0|1,0,0]=4 48890 B12R1.45 COCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100011201679 [0,2,0,1,0,0|1,0,0]=4 48891 B12R1.45 COCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000233755 [0,2,0,1,0,0|1,0,0]=4 48892 B12R1.45 CSCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000212216 [0,2,0,1,0,0|1,0,0]=4 48893 B12R1.45 CSCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000212216 [0,2,0,1,0,0|1,0,0]=4 48894 B12R1.45 N#C[C@@H]1CCC[C@H]1OCCCF 34a_100011907464_100011934791 [0,2,0,1,0,0|1,0,0]=4 48895 B12R1.45 N#C[C@@H]1CCC[C@H]1OCCCF 7a_100011907464_100011934791 [0,2,0,1,0,0|1,0,0]=4 48896 B12R1.45 N#C[C@@H]1CCC[C@H]1OCCCO 34a_100011907464_100000230001 [0,2,0,1,0,0|1,0,0]=4 48897 B12R1.45 N#C[C@@H]1CCC[C@H]1OCCCO 7a_100011907464_100011215043 [0,2,0,1,0,0|1,0,0]=4 48898 B12R1.45 OCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210776 [0,2,0,1,0,0|1,0,0]=4 48899 B12R1.45 OCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210776 [0,2,0,1,0,0|1,0,0]=4 48900 B12R1.45 OCCCCN1CCC[C@@H]1CO 34a_100000745186_100011216708 [0,2,0,1,0,0|1,0,0]=4 48901 B12R1.45 OC[C@H]1CCCN1CCCCF 2230a_100000745186_100000729493 [0,2,0,1,0,0|1,0,0]=4 48902 B12R1.45 OC[C@H]1CCCN1CCCCF 269982a_100000745186_100000729493 [0,2,0,1,0,0|1,0,0]=4 48903 B12R1.45 OC[C@H]1CCCN1CCCCF 34a_100000745186_100000729493 [0,2,0,1,0,0|1,0,0]=4 48904 B12R1.72 C#CC(CCC)OC1CCCC1 34a_200011217317_100000179811 [0,2,0,1,0,0|0,0,0]=3 48905 B12R1.72 C#CC(CCC)OC1CCCC1 7a_200011217317_100000179811 [0,2,0,1,0,0|0,0,0]=3 48906 B12R1.72 C#CC(CCC)OC1CCOC1 34a_200011217317_100000690089 [0,2,0,1,0,0|1,0,0]=4 48907 B12R1.72 C#CC(CCC)OC1CCOC1 7a_200011217317_100000731011 [0,2,0,1,0,0|1,0,0]=4 48908 B12R1.72 C=CC(CCC)OC1CCCC1 34a_100011216692_100000179811 [0,2,0,1,0,0|0,0,0]=3 48909 B12R1.72 C=CC(CCC)OC1CCCC1 7a_100011216692_100000179811 [0,2,0,1,0,0|0,0,0]=3 48910 B12R1.72 C=CC(CCC)OC1CCOC1 34a_100011216692_100000690089 [0,2,0,1,0,0|1,0,0]=4 48911 B12R1.72 C=CC(CCC)OC1CCOC1 7a_100011216692_100000731011 [0,2,0,1,0,0|1,0,0]=4 48912 B12R1.72 CCC(COC)OC1CCCC1 7a_200011214946_100000179811 [0,2,0,1,0,0|1,0,0]=4 48913 B12R1.72 CCCC(C#N)OC1CCCC1 34a_100000686963_100000179811 [0,2,0,1,0,0|0,0,0]=3 48914 B12R1.72 CCCC(C#N)OC1CCCC1 7a_100000686963_100000179811 [0,2,0,1,0,0|0,0,0]=3 48915 B12R1.72 CCCC(C#N)OC1CCOC1 34a_100000686963_100000690089 [0,2,0,1,0,0|1,0,0]=4 48916 B12R1.72 CCCC(C#N)OC1CCOC1 7a_100000686963_100000731011 [0,2,0,1,0,0|1,0,0]=4 48917 B12R1.72 CCCC(CC)NC1CCCC1 2230a_100000747048_100000179811 [0,2,0,1,0,0|1,0,0]=4 48918 B12R1.72 CCCC(CC)NC1CCCC1 270004a_100000211070_100000687865 [0,2,0,1,0,0|1,0,0]=4 48919 B12R1.72 CCCC(CC)NC1CCCC1 270004a_100000747048_100000210133 [0,2,0,1,0,0|1,0,0]=4 48920 B12R1.72 CCCC(CC)OC1CCCC1 34a_100000687864_100000179811 [0,2,0,1,0,0|0,0,0]=3 48921 B12R1.72 CCCC(CC)OC1CCCC1 7a_100000210269_100011219200 [0,2,0,1,0,0|0,0,0]=3 48922 B12R1.72 CCCC(CC)OC1CCCC1 7a_100000687864_100000179811 [0,2,0,1,0,0|0,0,0]=3 48923 B12R1.72 CCCC(CC)OC1CCOC1 34a_100000687864_100000690089 [0,2,0,1,0,0|1,0,0]=4 48924 B12R1.72 CCCC(CC)OC1CCOC1 7a_100000687864_100000731011 [0,2,0,1,0,0|1,0,0]=4 48925 B12R1.72 CCCC(CC)OC1CCSC1 7a_100011232664_100011219200 [0,2,0,1,0,0|1,0,0]=4 48926 B12R1.72 CCCC(CC)SC1CCCC1 62a_100011217020_100011219200 [0,2,0,1,0,0|0,1,0]=4 48927 B12R1.72 CCCC(CC)SC1CCCC1 62a_100011219200_100000179811 [0,2,0,1,0,0|0,1,0]=4 48928 B12R1.72 CCC[C@@H](CO)NC1CCCC1 2230a_100000732646_100000179811 [0,2,0,1,0,0|1,0,0]=4 48929 B12R1.72 CCC[C@@H](CO)NC1CCCC1 34a_100000732646_100000179811 [0,2,0,1,0,0|1,0,0]=4 48930 B12R1.72 COCC(CCl)OC1CCCC1 34a_100011215053_100000179811 [0,2,0,1,0,0|1,0,0]=4 48931 B12R1.72 COCC(CN)OC1CCCC1 34a_100000756049_100000179811 [0,2,0,1,0,0|1,0,0]=4 48932 B12R1.134 CCCC(CC)N1CCC[C@@H]1C 269982a_100020605311_100011219200 [0,2,0,1,0,0|1,0,0]=4 48933 B12R1.134 CCCC(CC)N1CCC[C@@H]1C 270004a_100020605311_100000687865 [0,2,0,1,0,0|1,0,0]=4 48934 B12R1.134 CCCC(CC)N1CCC[C@H]1C 269982a_100015189458_100011219200 [0,2,0,1,0,0|1,0,0]=4 48935 B12R1.134 CCCC(CC)N1CCC[C@H]1C 270004a_100015189458_100000687865 [0,2,0,1,0,0|1,0,0]=4 48936 B12R1.137 C#CC(CCC)OCC1CCC1 34a_200011217317_100000763275 [0,2,0,1,0,0|0,0,0]=3 48937 B12R1.137 C#CC(CCC)OCC1CCC1 7a_200011217317_100000763275 [0,2,0,1,0,0|0,0,0]=3 48938 B12R1.137 C#CC(CCC)OCC1CCO1 34a_200011217317_100000103362 [0,2,0,1,0,0|1,0,0]=4 48939 B12R1.137 C#CC(CCC)OCC1CCO1 7a_200011217317_100000103362 [0,2,0,1,0,0|1,0,0]=4 48940 B12R1.137 C#CC(CCC)OCC1COC1 34a_200011217317_100010264016 [0,2,0,1,0,0|1,0,0]=4 48941 B12R1.137 C#CC(CCC)OCC1COC1 7a_200011217317_100010264016 [0,2,0,1,0,0|1,0,0]=4 48942 B12R1.137 C=CC(CCC)OCC1CCC1 34a_100011216692_100000763275 [0,2,0,1,0,0|0,0,0]=3 48943 B12R1.137 C=CC(CCC)OCC1CCC1 7a_100011216692_100000763275 [0,2,0,1,0,0|0,0,0]=3 48944 B12R1.137 C=CC(CCC)OCC1CCO1 34a_100011216692_100000103362 [0,2,0,1,0,0|1,0,0]=4 48945 B12R1.137 C=CC(CCC)OCC1CCO1 7a_100011216692_100000103362 [0,2,0,1,0,0|1,0,0]=4 48946 B12R1.137 C=CC(CCC)OCC1COC1 34a_100011216692_100010264016 [0,2,0,1,0,0|1,0,0]=4 48947 B12R1.137 C=CC(CCC)OCC1COC1 7a_100011216692_100010264016 [0,2,0,1,0,0|1,0,0]=4 48948 B12R1.137 CCC(COC)OCC1CCC1 7a_200011214946_100000763275 [0,2,0,1,0,0|1,0,0]=4 48949 B12R1.137 CCCC(C#N)OCC1CCC1 34a_100000686963_100000763275 [0,2,0,1,0,0|0,0,0]=3 48950 B12R1.137 CCCC(C#N)OCC1CCC1 7a_100000686963_100000763275 [0,2,0,1,0,0|0,0,0]=3 48951 B12R1.137 CCCC(C#N)OCC1CCO1 34a_100000686963_100000103362 [0,2,0,1,0,0|1,0,0]=4 48952 B12R1.137 CCCC(C#N)OCC1CCO1 7a_100000686963_100000103362 [0,2,0,1,0,0|1,0,0]=4 48953 B12R1.137 CCCC(C#N)OCC1COC1 34a_100000686963_100010264016 [0,2,0,1,0,0|1,0,0]=4 48954 B12R1.137 CCCC(C#N)OCC1COC1 7a_100000686963_100010264016 [0,2,0,1,0,0|1,0,0]=4 48955 B12R1.137 CCCC(CC)NCC1CCC1 2230a_100000747048_100000763275 [0,2,0,1,0,0|1,0,0]=4 48956 B12R1.137 CCCC(CC)NCC1CCC1 269862a_100000747048_100000753134 [0,2,0,1,0,0|1,0,0]=4 48957 B12R1.137 CCCC(CC)NCC1CCC1 270004a_100000738700_100000687865 [0,2,0,1,0,0|1,0,0]=4 48958 B12R1.137 CCCC(CC)OCC1CCC1 34a_100000687864_100000763275 [0,2,0,1,0,0|0,0,0]=3 48959 B12R1.137 CCCC(CC)OCC1CCC1 7a_100000687864_100000763275 [0,2,0,1,0,0|0,0,0]=3 48960 B12R1.137 CCCC(CC)OCC1CCO1 34a_100000687864_100000103362 [0,2,0,1,0,0|1,0,0]=4 48961 B12R1.137 CCCC(CC)OCC1CCO1 7a_100000687864_100000103362 [0,2,0,1,0,0|1,0,0]=4 48962 B12R1.137 CCCC(CC)OCC1COC1 34a_100000687864_100010264016 [0,2,0,1,0,0|1,0,0]=4 48963 B12R1.137 CCCC(CC)OCC1COC1 7a_100000687864_100010264016 [0,2,0,1,0,0|1,0,0]=4 48964 B12R1.137 CCCC(CC)SCC1CCC1 62a_100000763275_100011219200 [0,2,0,1,0,0|0,1,0]=4 48965 B12R1.137 CCCC(CC)SCC1CCC1 62a_100011219200_100000763275 [0,2,0,1,0,0|0,1,0]=4 48966 B12R1.137 CCC[C@@H](CO)NCC1CCC1 2230a_100000732646_100000763275 [0,2,0,1,0,0|1,0,0]=4 48967 B12R1.137 CCC[C@@H](CO)NCC1CCC1 269862a_100000732646_100000753134 [0,2,0,1,0,0|1,0,0]=4 48968 B12R1.137 CCC[C@@H](CO)NCC1CCC1 34a_100000732646_100000763275 [0,2,0,1,0,0|1,0,0]=4 48969 B12R1.137 COCC(CCl)OCC1CCC1 34a_100011215053_100000763275 [0,2,0,1,0,0|1,0,0]=4 48970 B12R1.137 COCC(CN)OCC1CCC1 34a_100000756049_100000763275 [0,2,0,1,0,0|1,0,0]=4 48971 B12R1.138 C#CC(CCC)OCCC1CC1 34a_200011217317_100000694398 [0,2,0,1,0,0|0,0,0]=3 48972 B12R1.138 C#CC(CCC)OCCC1CC1 7a_200011217317_100000764125 [0,2,0,1,0,0|0,0,0]=3 48973 B12R1.138 C#CC(CCC)OCCC1CO1 34a_200011217317_100000732470 [0,2,0,1,0,0|1,0,0]=4 48974 B12R1.138 C#CC(CCC)OCCC1CO1 7a_200011217317_100000732470 [0,2,0,1,0,0|1,0,0]=4 48975 B12R1.138 C=CC(CCC)OCCC1CC1 34a_100011216692_100000694398 [0,2,0,1,0,0|0,0,0]=3 48976 B12R1.138 C=CC(CCC)OCCC1CC1 7a_100011216692_100000764125 [0,2,0,1,0,0|0,0,0]=3 48977 B12R1.138 C=CC(CCC)OCCC1CO1 34a_100011216692_100000732470 [0,2,0,1,0,0|1,0,0]=4 48978 B12R1.138 C=CC(CCC)OCCC1CO1 7a_100011216692_100000732470 [0,2,0,1,0,0|1,0,0]=4 48979 B12R1.138 CCC(COC)OCCC1CC1 7a_200011214946_100000764125 [0,2,0,1,0,0|1,0,0]=4 48980 B12R1.138 CCCC(C#N)OCCC1CC1 34a_100000686963_100000694398 [0,2,0,1,0,0|0,0,0]=3 48981 B12R1.138 CCCC(C#N)OCCC1CC1 7a_100000686963_100000764125 [0,2,0,1,0,0|0,0,0]=3 48982 B12R1.138 CCCC(C#N)OCCC1CO1 34a_100000686963_100000732470 [0,2,0,1,0,0|1,0,0]=4 48983 B12R1.138 CCCC(C#N)OCCC1CO1 7a_100000686963_100000732470 [0,2,0,1,0,0|1,0,0]=4 48984 B12R1.138 CCCC(CC)NCCC1CC1 2230a_100000747048_100000694398 [0,2,0,1,0,0|1,0,0]=4 48985 B12R1.138 CCCC(CC)NCCC1CC1 270004a_100000764129_100000687865 [0,2,0,1,0,0|1,0,0]=4 48986 B12R1.138 CCCC(CC)OCCC1CC1 34a_100000687864_100000694398 [0,2,0,1,0,0|0,0,0]=3 48987 B12R1.138 CCCC(CC)OCCC1CC1 7a_100000687864_100000764125 [0,2,0,1,0,0|0,0,0]=3 48988 B12R1.138 CCCC(CC)OCCC1CC1 7a_100000754188_100011219200 [0,2,0,1,0,0|0,0,0]=3 48989 B12R1.138 CCCC(CC)OCCC1CO1 34a_100000687864_100000732470 [0,2,0,1,0,0|1,0,0]=4 48990 B12R1.138 CCCC(CC)OCCC1CO1 7a_100000687864_100000732470 [0,2,0,1,0,0|1,0,0]=4 48991 B12R1.138 CCCC(CC)SCCC1CC1 62a_100000764125_100011219200 [0,2,0,1,0,0|0,1,0]=4 48992 B12R1.138 CCCC(CC)SCCC1CC1 62a_100011219200_100000764125 [0,2,0,1,0,0|0,1,0]=4 48993 B12R1.138 CCC[C@@H](CO)NCCC1CC1 2230a_100000732646_100000694398 [0,2,0,1,0,0|1,0,0]=4 48994 B12R1.138 CCC[C@@H](CO)NCCC1CC1 34a_100000732646_100000694398 [0,2,0,1,0,0|1,0,0]=4 48995 B12R1.138 COCC(CCl)OCCC1CC1 34a_100011215053_100000694398 [0,2,0,1,0,0|1,0,0]=4 48996 B12R1.138 COCC(CN)OCCC1CC1 34a_100000756049_100000694398 [0,2,0,1,0,0|1,0,0]=4 48997 B12R1.572 CCC(OCCCCF)C1CC1 34a_100011351122_100000729493 [0,2,0,1,0,0|1,0,0]=4 48998 B12R1.572 CCC(OCCCCF)C1CC1 7a_100011351122_100000729493 [0,2,0,1,0,0|1,0,0]=4 48999 B12R1.572 CCC(OCCCCO)C1CC1 34a_100011351122_100011216708 [0,2,0,1,0,0|1,0,0]=4 49000 B12R1.572 CCC(OCCCCO)C1CC1 7a_100011351122_100000210776 [0,2,0,1,0,0|1,0,0]=4 49001 B12R1.572 CCC(OCCCOC)C1CC1 34a_100011351122_100000740836 [0,2,0,1,0,0|1,0,0]=4 49002 B12R1.572 CCC(OCCCOC)C1CC1 7a_100011351122_100000740836 [0,2,0,1,0,0|1,0,0]=4 49003 B12R1.572 CCCCCNC(CC)C1CC1 2230a_100025715781_100000210326 [0,2,0,1,0,0|1,0,0]=4 49004 B12R1.572 CCCCCNC(CC)C1CC1 269862a_100000209983_100000759681 [0,2,0,1,0,0|1,0,0]=4 49005 B12R1.572 CCCCCNC(CC)C1CC1 34a_100025715781_100000718602 [0,2,0,1,0,0|1,0,0]=4 49006 B12R1.572 CCCCCN[C@@H](CO)C1CC1 2230a_100020623730_100000210326 [0,2,0,1,0,0|1,0,0]=4 49007 B12R1.572 CCCCCN[C@@H](CO)C1CC1 34a_100020623730_100000718602 [0,2,0,1,0,0|1,0,0]=4 49008 B12R1.572 CCCCCOC(CC)C1CC1 34a_100011351122_100000718602 [0,2,0,1,0,0|0,0,0]=3 49009 B12R1.572 CCCCCOC(CC)C1CC1 7a_100011351122_100000210326 [0,2,0,1,0,0|0,0,0]=3 49010 B12R1.572 CCCCCOC(CN)C1CC1 34a_100000751198_100000718602 [0,2,0,1,0,0|0,0,0]=3 49011 B12R1.572 CCCCOCN(CC)C1CC1 2230a_100000738653_100011995733 [0,2,0,1,0,0|1,0,0]=4 49012 B12R1.572 CCCCOCN(CC)C1CC1 269982a_100000738653_100011995733 [0,2,0,1,0,0|1,0,0]=4 49013 B12R1.572 CCOCCOC(CC)C1CC1 34a_100011351122_100000210147 [0,2,0,1,0,0|1,0,0]=4 49014 B12R1.572 CCOCCOC(CC)C1CC1 7a_100011351122_100011215890 [0,2,0,1,0,0|1,0,0]=4 49015 B12R1.572 CCOCCOC(CN)C1CC1 34a_100000751198_100000210147 [0,2,0,1,0,0|1,0,0]=4 49016 B12R1.572 CCSCCOC(CC)C1CC1 34a_100011351122_100000757381 [0,2,0,1,0,0|1,0,0]=4 49017 B12R1.572 CCSCCOC(CC)C1CC1 7a_100011351122_100000757381 [0,2,0,1,0,0|1,0,0]=4 49018 B12R1.572 CCSCCOC(CN)C1CC1 34a_100000751198_100000757381 [0,2,0,1,0,0|1,0,0]=4 49019 B12R1.572 COCCCOC(CN)C1CC1 34a_100000751198_100000740836 [0,2,0,1,0,0|1,0,0]=4 49020 B12R1.572 NCC(OCCCCF)C1CC1 34a_100000751198_100000729493 [0,2,0,1,0,0|1,0,0]=4 49021 B12R1.572 NCC(OCCCCO)C1CC1 34a_100000751198_100011216708 [0,2,0,1,0,0|1,0,0]=4 49022 B12R1.610 CCCC(CC)OCC1CC1C 7a_100000744939_100011219200 [0,2,0,1,0,0|0,0,0]=3 49023 B12R1.965 C#CC1(COC1)OCCCCC 34a_100010264503_100000718602 [0,2,0,1,0,0|1,0,0]=4 49024 B12R1.965 C=CC1(COC1)OCCCCC 34a_100000118599_100000718602 [0,2,0,1,0,0|1,0,0]=4 49025 B12R1.965 C=CC1(COC1)OCCCCC 7a_100000118599_100000210326 [0,2,0,1,0,0|1,0,0]=4 49026 B12R1.965 CCCCCNC1(CCC1)C#N 34a_100000739455_100000718602 [0,2,0,1,0,0|1,0,0]=4 49027 B12R1.965 CCCCCNC1(CCC1)CO 2230a_100016993734_100000210326 [0,2,0,1,0,0|1,0,0]=4 49028 B12R1.965 CCCCCOC1(COC1)CC 7a_100010739965_100000210326 [0,2,0,1,0,0|1,0,0]=4 49029 B12R1.965 CCCCNCC1(CCC1)CC 2230a_100000685557_100000210211 [0,2,0,1,0,0|1,0,0]=4 49030 B12R1.965 CCCCNCC1(CCC1)CO 2230a_100000701034_100000210211 [0,2,0,1,0,0|1,0,0]=4 49031 B12R1.965 CCCCOCC1(COC1)CC 34a_100000210227_200009907690 [0,2,0,1,0,0|1,0,0]=4 49032 B12R1.965 CCCCOCC1(COC1)CC 7a_100000039901_100000210211 [0,2,0,1,0,0|1,0,0]=4 49033 B12R1.965 CCCCOCC1(COC1)CC 7a_100000210227_200009907690 [0,2,0,1,0,0|1,0,0]=4 49034 B12R1.965 CCCCOCC1(COC1)CO 34a_100000210227_100000685550 [0,2,0,1,0,0|1,0,0]=4 49035 B12R1.965 CCCCOCC1(COC1)CO 7a_100000210227_100000685550 [0,2,0,1,0,0|1,0,0]=4 49036 B12R1.972 CCCCCNC1(CC1)CCC 2230a_100015185929_100000210326 [0,2,0,1,0,0|1,0,0]=4 49037 B12R1.16 CCCC(C)N1CCC(CC1)C 2230a_100000188429_100000766640 [0,2,0,1,0,0|1,0,0]=4 49038 B12R1.16 CCCC(C)N1CCC(CC1)C 269982a_100000188429_100000766640 [0,2,0,1,0,0|1,0,0]=4 49039 B12R1.16 CCCC(C)N1CCC(CC1)C 270004a_100000188429_100000211909 [0,2,0,1,0,0|1,0,0]=4 49040 B12R1.16 CCCC(C)N1CCC(CC1)C 34a_100000188429_100000766640 [0,2,0,1,0,0|1,0,0]=4 49041 B12R1.16 CCCC(C)N1CCC(CC1)F 2230a_100015193889_100000766640 [0,2,0,1,0,0|1,0,0]=4 49042 B12R1.16 CCCC(C)N1CCC(CC1)F 269982a_100015193889_100000766640 [0,2,0,1,0,0|1,0,0]=4 49043 B12R1.16 CCCC(C)N1CCC(CC1)F 270004a_100015193889_100000211909 [0,2,0,1,0,0|1,0,0]=4 49044 B12R1.16 CCCC(C)N1CCC(CC1)F 34a_100015193889_100000766640 [0,2,0,1,0,0|1,0,0]=4 49045 B12R1.16 CCCC(C)N1CCC(CC1)O 2230a_100025773856_100000766640 [0,2,0,1,0,0|1,0,0]=4 49046 B12R1.16 CCCC(C)N1CCC(CC1)O 269982a_100025773856_100000766640 [0,2,0,1,0,0|1,0,0]=4 49047 B12R1.16 CCCC(C)N1CCC(CC1)O 270004a_100025773856_100000211909 [0,2,0,1,0,0|1,0,0]=4 49048 B12R1.50 CCC(C)CN1CCCC(C1)F 2230a_100000697950_100000748023 [0,2,0,1,0,0|1,0,0]=4 49049 B12R1.50 CCC(C)CN1CCCC(C1)F 269982a_100000697950_100000748023 [0,2,0,1,0,0|1,0,0]=4 49050 B12R1.50 CCC(C)CN1CCCC(C1)F 270004a_100000697950_100000243153 [0,2,0,1,0,0|1,0,0]=4 49051 B12R1.50 CCC(C)CN1CCCC(C1)F 34a_100000697950_100000748023 [0,2,0,1,0,0|1,0,0]=4 49052 B12R1.50 CCC(C)CN1CCCC(C1)O 2230a_100000211013_100000748023 [0,2,0,1,0,0|1,0,0]=4 49053 B12R1.50 CCC(C)CN1CCCC(C1)O 269982a_100000211013_100000748023 [0,2,0,1,0,0|1,0,0]=4 49054 B12R1.50 CCC(C)CN1CCCC(C1)O 270004a_100000211013_100000243153 [0,2,0,1,0,0|1,0,0]=4 49055 B12R1.50 CCC(C)CN1CCC[C@@H](C1)C 2230a_100000717927_100000748023 [0,2,0,1,0,0|1,0,0]=4 49056 B12R1.50 CCC(C)CN1CCC[C@@H](C1)C 269982a_100000717927_100000748023 [0,2,0,1,0,0|1,0,0]=4 49057 B12R1.50 CCC(C)CN1CCC[C@@H](C1)C 270004a_100000717927_100000243153 [0,2,0,1,0,0|1,0,0]=4 49058 B12R1.50 CCC(C)CN1CCC[C@@H](C1)C 34a_100000717927_100000748023 [0,2,0,1,0,0|1,0,0]=4 49059 B12R1.50 CCC(O)CN1CCCC(C1)F 2230a_100000697950_100011218378 [0,2,0,1,0,0|1,0,0]=4 49060 B12R1.50 CCC(O)CN1CCCC(C1)F 269982a_100000697950_100011218378 [0,2,0,1,0,0|1,0,0]=4 49061 B12R1.50 CCC(O)CN1CCCC(C1)F 34a_100000697950_100011218378 [0,2,0,1,0,0|1,0,0]=4 49062 B12R1.50 CCC(O)CN1CCCC(C1)O 2230a_100000211013_100011218378 [0,2,0,1,0,0|1,0,0]=4 49063 B12R1.50 CCC(O)CN1CCCC(C1)O 269982a_100000211013_100011218378 [0,2,0,1,0,0|1,0,0]=4 49064 B12R1.50 CCC(O)CN1CCC[C@@H](C1)C 2230a_100000717927_100011218378 [0,2,0,1,0,0|1,0,0]=4 49065 B12R1.50 CCC(O)CN1CCC[C@@H](C1)C 269982a_100000717927_100011218378 [0,2,0,1,0,0|1,0,0]=4 49066 B12R1.50 CCC(O)CN1CCC[C@@H](C1)C 34a_100000717927_100011218378 [0,2,0,1,0,0|1,0,0]=4 49067 B12R1.50 CC[C@H](C)CN1CCCC(C1)F 2230a_100000697950_100009816398 [0,2,0,1,0,0|1,0,0]=4 49068 B12R1.50 CC[C@H](C)CN1CCCC(C1)F 269982a_100000697950_100009816398 [0,2,0,1,0,0|1,0,0]=4 49069 B12R1.50 CC[C@H](C)CN1CCCC(C1)F 34a_100000697950_100009816398 [0,2,0,1,0,0|1,0,0]=4 49070 B12R1.50 CC[C@H](C)CN1CCCC(C1)O 2230a_100000211013_100009816398 [0,2,0,1,0,0|1,0,0]=4 49071 B12R1.50 CC[C@H](C)CN1CCCC(C1)O 269982a_100000211013_100009816398 [0,2,0,1,0,0|1,0,0]=4 49072 B12R1.50 CC[C@H](C)CN1CCC[C@@H](C1)C 2230a_100000717927_100009816398 [0,2,0,1,0,0|1,0,0]=4 49073 B12R1.50 CC[C@H](C)CN1CCC[C@@H](C1)C 269982a_100000717927_100009816398 [0,2,0,1,0,0|1,0,0]=4 49074 B12R1.50 CC[C@H](C)CN1CCC[C@@H](C1)C 34a_100000717927_100009816398 [0,2,0,1,0,0|1,0,0]=4 49075 B12R1.353 CC1CCCC1OCC(O)CO 34a_100011216460_100011219619 [0,2,0,1,0,0|1,0,0]=4 49076 B12R1.353 CC1CCCC1OCC(O)CO 7a_100011216460_100011219619 [0,2,0,1,0,0|1,0,0]=4 49077 B12R1.353 CC1CCCC1OC[C@@H](C)CO 34a_100011216460_100000059175 [0,2,0,1,0,0|1,0,0]=4 49078 B12R1.353 CC1CCCC1OC[C@@H](C)CO 7a_100011216460_100000059175 [0,2,0,1,0,0|1,0,0]=4 49079 B12R1.353 CC1CCCC1OC[C@@H](O)CF 34a_100011216460_100015614560 [0,2,0,1,0,0|1,0,0]=4 49080 B12R1.353 CC1CCCC1OC[C@@H](O)CF 7a_100011216460_100015614560 [0,2,0,1,0,0|1,0,0]=4 49081 B12R1.353 CC1CCCC1OC[C@@H](O)CO 34a_100011216460_100009815848 [0,2,0,1,0,0|1,0,0]=4 49082 B12R1.353 CC1CCCC1OC[C@@H](O)CO 7a_100011216460_100009815848 [0,2,0,1,0,0|1,0,0]=4 49083 B12R1.353 CCC(=O)COC1CCCC1C 7a_100011216460_100000747405 [0,2,0,1,0,0|0,0,1]=4 49084 B12R1.353 CCC(C)CNC1CCCC1C 269862a_100020588543_100000752053 [0,2,0,1,0,0|1,0,0]=4 49085 B12R1.353 CCC(C)CNC1CCOC1C 270004a_100020588543_100000691750 [0,2,0,1,0,0|1,0,0]=4 49086 B12R1.353 CCC(C)CN[C@H]1CCC[C@@H]1O 270004a_100000748460_100000243153 [0,2,0,1,0,0|1,0,0]=4 49087 B12R1.353 CCC(C)COC1CCCC1=O 34a_200000719330_100000748023 [0,2,0,1,0,0|0,0,1]=4 49088 B12R1.353 CCC(C)COC1CCCC1C 34a_100011216460_100000748023 [0,2,0,1,0,0|0,0,0]=3 49089 B12R1.353 CCC(C)COC1CCCC1C 7a_100011216460_100000748023 [0,2,0,1,0,0|0,0,0]=3 49090 B12R1.353 CCC(C)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000748023 [0,2,0,1,0,0|0,0,0]=3 49091 B12R1.353 CCC(C)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000748023 [0,2,0,1,0,0|0,0,0]=3 49092 B12R1.353 CCC(C)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000748023 [0,2,0,1,0,0|0,0,0]=3 49093 B12R1.353 CCC(C)CO[C@H]1COC[C@@H]1N 34a_100015191717_100000748023 [0,2,0,1,0,0|1,0,0]=4 49094 B12R1.353 CCC(C)CS[C@@H]1CCC[C@H]1O 62a_100000748023_200016002552 [0,2,0,1,0,0|0,1,0]=4 49095 B12R1.353 CCC(C)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000748023 [0,2,0,1,0,0|0,1,0]=4 49096 B12R1.353 CCC(O)CNC1CCCC1C 269862a_100011218483_100000752053 [0,2,0,1,0,0|1,0,0]=4 49097 B12R1.353 CCC(O)CNC1CCOC1C 270004a_100011218483_100000691750 [0,2,0,1,0,0|1,0,0]=4 49098 B12R1.353 CCC(O)COC1CCCC1=O 34a_200000719330_100011218378 [0,2,0,1,0,0|0,0,1]=4 49099 B12R1.353 CCC(O)COC1CCCC1C 34a_100011216460_100011218378 [0,2,0,1,0,0|0,0,0]=3 49100 B12R1.353 CCC(O)COC1CCCC1C 7a_100011216460_100011218378 [0,2,0,1,0,0|0,0,0]=3 49101 B12R1.353 CCC(O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011218378 [0,2,0,1,0,0|0,0,0]=3 49102 B12R1.353 CCC(O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100011218378 [0,2,0,1,0,0|0,0,0]=3 49103 B12R1.353 CCC(O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100011218378 [0,2,0,1,0,0|0,0,0]=3 49104 B12R1.353 CCC(O)CO[C@H]1COC[C@@H]1N 34a_100015191717_100011218378 [0,2,0,1,0,0|1,0,0]=4 49105 B12R1.353 CCC(O)CS[C@@H]1CCC[C@H]1O 62a_100011218378_200016002552 [0,2,0,1,0,0|0,1,0]=4 49106 B12R1.353 CCC(O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100011218378 [0,2,0,1,0,0|0,1,0]=4 49107 B12R1.353 CC[C@H](C)COC1CCCC1=O 34a_200000719330_100009816398 [0,2,0,1,0,0|0,0,1]=4 49108 B12R1.353 CC[C@H](C)COC1CCCC1=O 7a_100009816381_100000211823 [0,2,0,1,0,0|0,0,1]=4 49109 B12R1.353 CC[C@H](C)COC1CCCC1C 34a_100011216460_100009816398 [0,2,0,1,0,0|0,0,0]=3 49110 B12R1.353 CC[C@H](C)COC1CCCC1C 7a_100011216460_100009816398 [0,2,0,1,0,0|0,0,0]=3 49111 B12R1.353 CC[C@H](C)COC1COCC1O 7a_100009816381_200000725654 [0,2,0,1,0,0|1,0,0]=4 49112 B12R1.353 CC[C@H](C)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009816398 [0,2,0,1,0,0|0,0,0]=3 49113 B12R1.353 CC[C@H](C)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100009816398 [0,2,0,1,0,0|0,0,0]=3 49114 B12R1.353 CC[C@H](C)CO[C@H]1CNC[C@H]1C 34a_200015306588_100009816398 [0,2,0,1,0,0|0,0,0]=3 49115 B12R1.353 CC[C@H](C)CO[C@H]1COC[C@@H]1N 34a_100015191717_100009816398 [0,2,0,1,0,0|1,0,0]=4 49116 B12R1.353 CC[C@H](C)CS[C@@H]1CCC[C@H]1O 62a_100009816398_200016002552 [0,2,0,1,0,0|0,1,0]=4 49117 B12R1.353 CC[C@H](C)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100009816398 [0,2,0,1,0,0|0,1,0]=4 49118 B12R1.353 C[C@@H](CO)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000059175 [0,2,0,1,0,0|1,0,0]=4 49119 B12R1.353 C[C@@H](CO)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000059175 [0,2,0,1,0,0|1,0,0]=4 49120 B12R1.353 C[C@@H](CO)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000059175 [0,2,0,1,0,0|1,0,0]=4 49121 B12R1.353 C[C@@H]1CNC[C@@H]1OCC(O)CO 34a_200015306588_100011219619 [0,2,0,1,0,0|1,0,0]=4 49122 B12R1.353 C[C@@H]1CNC[C@@H]1OC[C@@H](O)CF 34a_200015306588_100015614560 [0,2,0,1,0,0|1,0,0]=4 49123 B12R1.353 C[C@@H]1CNC[C@@H]1OC[C@@H](O)CO 34a_200015306588_100009815848 [0,2,0,1,0,0|1,0,0]=4 49124 B12R1.353 N[C@H]1CCC[C@@H]1OCC(O)CO 34a_100000748460_100011219619 [0,2,0,1,0,0|1,0,0]=4 49125 B12R1.353 N[C@H]1CCC[C@@H]1OC[C@@H](O)CF 34a_100000748460_100015614560 [0,2,0,1,0,0|1,0,0]=4 49126 B12R1.353 N[C@H]1CCC[C@@H]1OC[C@@H](O)CO 34a_100000748460_100009815848 [0,2,0,1,0,0|1,0,0]=4 49127 B12R1.353 OCC(O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011219619 [0,2,0,1,0,0|1,0,0]=4 49128 B12R1.353 OC[C@H](O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009815848 [0,2,0,1,0,0|1,0,0]=4 49129 B12R1.353 O[C@@H](CF)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100015614560 [0,2,0,1,0,0|1,0,0]=4 49130 B12R1.394 C=C1CC(C1)COCC(C)CC 34a_100011011225_100000748023 [0,2,0,1,0,0|0,0,1]=4 49131 B12R1.394 C=C1CC(C1)COCC(O)CC 34a_100011011225_100011218378 [0,2,0,1,0,0|0,0,1]=4 49132 B12R1.394 C=C1CC(C1)COC[C@@H](C)CC 34a_100011011225_100009816398 [0,2,0,1,0,0|0,0,1]=4 49133 B12R1.394 CCC(C)CNCC1CC(C1)O 2230a_100016992100_100000748023 [0,2,0,1,0,0|1,0,0]=4 49134 B12R1.394 CCC(C)CNCC1CC(C1)O 270004a_100016992100_100000243153 [0,2,0,1,0,0|1,0,0]=4 49135 B12R1.394 CCC(C)COCC1CC(=O)C1 34a_100000101936_100000748023 [0,2,0,1,0,0|0,0,1]=4 49136 B12R1.394 CCC(C)COCC1CC(C1)Cl 34a_100009874164_100000748023 [0,2,0,1,0,0|0,0,0]=3 49137 B12R1.394 CCC(O)CNCC1CC(C1)O 2230a_100016992100_100011218378 [0,2,0,1,0,0|1,0,0]=4 49138 B12R1.394 CCC(O)COCC1CC(=O)C1 34a_100000101936_100011218378 [0,2,0,1,0,0|0,0,1]=4 49139 B12R1.394 CCC(O)COCC1CC(C1)Cl 34a_100009874164_100011218378 [0,2,0,1,0,0|0,0,0]=3 49140 B12R1.394 CC[C@H](C)CNCC1CC(C1)O 2230a_100016992100_100009816398 [0,2,0,1,0,0|1,0,0]=4 49141 B12R1.394 CC[C@H](C)COCC1CC(=O)C1 34a_100000101936_100009816398 [0,2,0,1,0,0|0,0,1]=4 49142 B12R1.394 CC[C@H](C)COCC1CC(=O)C1 7a_100009816381_100009874392 [0,2,0,1,0,0|0,0,1]=4 49143 B12R1.394 CC[C@H](C)COCC1CC(C1)Cl 34a_100009874164_100009816398 [0,2,0,1,0,0|0,0,0]=3 49144 B12R1.394 C[C@@H](CO)COCC1CC(C1)Cl 34a_100009874164_100000059175 [0,2,0,1,0,0|1,0,0]=4 49145 B12R1.394 OCC(O)COCC1CC(C1)Cl 34a_100009874164_100011219619 [0,2,0,1,0,0|1,0,0]=4 49146 B12R1.394 OC[C@H](O)COCC1CC(C1)Cl 34a_100009874164_100009815848 [0,2,0,1,0,0|1,0,0]=4 49147 B12R1.394 O[C@@H](CF)COCC1CC(C1)Cl 34a_100009874164_100015614560 [0,2,0,1,0,0|1,0,0]=4 49148 B12R1.477 CC(CN)COCC1CCCC1 34a_100000744482_100000740388 [0,2,0,1,0,0|1,0,0]=4 49149 B12R1.477 CC(CN)COCC1CCOC1 34a_100000744482_100011261433 [0,2,0,1,0,0|1,0,0]=4 49150 B12R1.477 CC(CO)CCNC1CCCC1 2230a_106354213184_100000179811 [0,2,0,1,0,0|1,0,0]=4 49151 B12R1.477 CC(CO)CCNC1CCCC1 270004a_106354213184_100000210133 [0,2,0,1,0,0|1,0,0]=4 49152 B12R1.477 CC(CO)CCNC1CCCC1 34a_106354213184_100000179811 [0,2,0,1,0,0|1,0,0]=4 49153 B12R1.477 CCC(=O)CCCC1CCCC1 1458a_100000210414_100011713738 [0,2,0,1,0,0|1,0,0]=4 49154 B12R1.477 CCC(=O)CCCN1CCCC1 1458a_100000210414_100011445909 [0,2,0,1,0,0|1,0,0]=4 49155 B12R1.477 CCC(=O)CCCN1CCCC1 1458a_100000743284_100000210202 [0,2,0,1,0,0|1,0,0]=4 49156 B12R1.477 CCC(=O)COCC1CCCC1 34a_100000725409_100000740388 [0,2,0,1,0,0|0,0,1]=4 49157 B12R1.477 CCC(=O)COCC1CCCC1 7a_100000742336_100000747405 [0,2,0,1,0,0|0,0,1]=4 49158 B12R1.477 CCC(=O)COCC1CCCO1 1458a_100011223388_100000210202 [0,2,0,1,0,0|0,0,1]=4 49159 B12R1.477 CCC(=O)COCC1CCCO1 7a_100000210270_100000747405 [0,2,0,1,0,0|0,0,1]=4 49160 B12R1.477 CCC(=O)COCC1CCOC1 34a_100000725409_100011261433 [0,2,0,1,0,0|0,0,1]=4 49161 B12R1.477 CCC(C)CCNC1CCCC1 2230a_100020591266_100000179811 [0,2,0,1,0,0|1,0,0]=4 49162 B12R1.477 CCC(C)CCNC1CCCC1 270004a_100020591266_100000210133 [0,2,0,1,0,0|1,0,0]=4 49163 B12R1.477 CCC(C)CCNC1CCOC1 2230a_100020591266_100000731011 [0,2,0,1,0,0|1,0,0]=4 49164 B12R1.477 CCC(C)CCNC1CCOC1 270004a_100020591266_100000752484 [0,2,0,1,0,0|1,0,0]=4 49165 B12R1.477 CCC(C)CCNC1CCSC1 270004a_100020591266_100000212027 [0,2,0,1,0,0|1,0,0]=4 49166 B12R1.477 CCC(C)CCOC1CCCC1 7a_100011215188_100000179811 [0,2,0,1,0,0|0,0,0]=3 49167 B12R1.477 CCC(C)CCOC1CCOC1 7a_100011215188_100000731011 [0,2,0,1,0,0|0,0,0]=3 49168 B12R1.477 CCC(C)CNCC1CCCC1 2230a_100000737975_100000748023 [0,2,0,1,0,0|1,0,0]=4 49169 B12R1.477 CCC(C)CNCC1CCCC1 2230a_100020588543_100000740388 [0,2,0,1,0,0|1,0,0]=4 49170 B12R1.477 CCC(C)CNCC1CCCC1 269862a_100020588543_100000746403 [0,2,0,1,0,0|1,0,0]=4 49171 B12R1.477 CCC(C)CNCC1CCCC1 270004a_100000737975_100000243153 [0,2,0,1,0,0|1,0,0]=4 49172 B12R1.477 CCC(C)CNCC1CCCC1 34a_100000737975_100000748023 [0,2,0,1,0,0|1,0,0]=4 49173 B12R1.477 CCC(C)CNCC1CCCO1 2230a_100020588543_100000203698 [0,2,0,1,0,0|1,0,0]=4 49174 B12R1.477 CCC(C)CNCC1CCOC1 2230a_100000737293_100000748023 [0,2,0,1,0,0|1,0,0]=4 49175 B12R1.477 CCC(C)CNCC1CCOC1 2230a_100020588543_100000702531 [0,2,0,1,0,0|1,0,0]=4 49176 B12R1.477 CCC(C)CNCC1CCOC1 270004a_100000737293_100000243153 [0,2,0,1,0,0|1,0,0]=4 49177 B12R1.477 CCC(C)CNCC1CCOC1 34a_100000737293_100000748023 [0,2,0,1,0,0|1,0,0]=4 49178 B12R1.477 CCC(C)CNC[C@@H]1CCCO1 2230a_100020590478_100000748023 [0,2,0,1,0,0|1,0,0]=4 49179 B12R1.477 CCC(C)CNC[C@@H]1CCCO1 270004a_100020590478_100000243153 [0,2,0,1,0,0|1,0,0]=4 49180 B12R1.477 CCC(C)CNC[C@@H]1CCCO1 34a_100020590478_100000748023 [0,2,0,1,0,0|1,0,0]=4 49181 B12R1.477 CCC(C)COCC1CC=CC1 34a_100000688395_100000748023 [0,2,0,1,0,0|0,0,1]=4 49182 B12R1.477 CCC(C)COCC1CCCC1 34a_100000742336_100000748023 [0,2,0,1,0,0|0,0,0]=3 49183 B12R1.477 CCC(C)COCC1CCCC1 7a_100000742336_100000748023 [0,2,0,1,0,0|0,0,0]=3 49184 B12R1.477 CCC(C)COCC1CCCO1 34a_100000210270_100000748023 [0,2,0,1,0,0|0,0,0]=3 49185 B12R1.477 CCC(C)COCC1CCCO1 7a_100000210270_100000748023 [0,2,0,1,0,0|0,0,0]=3 49186 B12R1.477 CCC(C)COCC1CCNC1 34a_100000748654_100000748023 [0,2,0,1,0,0|0,0,0]=3 49187 B12R1.477 CCC(C)COCC1CCOC1 34a_100000740260_100000748023 [0,2,0,1,0,0|0,0,0]=3 49188 B12R1.477 CCC(C)COCC1COCO1 34a_100011216627_100000748023 [0,2,0,1,0,0|1,0,0]=4 49189 B12R1.477 CCC(C)COCC1OCCO1 34a_100000087154_100000748023 [0,2,0,1,0,0|1,0,0]=4 49190 B12R1.477 CCC(C)COC[C@H]1CCCN1 34a_100000745186_100000748023 [0,2,0,1,0,0|0,0,0]=3 49191 B12R1.477 CCC(C)CSCC1CCCC1 62a_100000740388_100000748023 [0,2,0,1,0,0|0,1,0]=4 49192 B12R1.477 CCC(C)CSCC1CCCC1 62a_100000748023_100000740388 [0,2,0,1,0,0|0,1,0]=4 49193 B12R1.477 CCC(C)CSCC1CCCO1 62a_100000203698_100000748023 [0,2,0,1,0,0|0,1,0]=4 49194 B12R1.477 CCC(C)CSCC1CCCO1 62a_100000748023_100000203698 [0,2,0,1,0,0|0,1,0]=4 49195 B12R1.477 CCC(C)CSCC1CCOC1 62a_100000702531_100000748023 [0,2,0,1,0,0|0,1,0]=4 49196 B12R1.477 CCC(C)CSCC1CCOC1 62a_100000748023_100000702531 [0,2,0,1,0,0|0,1,0]=4 49197 B12R1.477 CCC(C)NCCC1CCCC1 2230a_100000209981_100000760354 [0,2,0,1,0,0|1,0,0]=4 49198 B12R1.477 CCC(C)NCCC1CCCC1 2230a_100000739158_100000758301 [0,2,0,1,0,0|1,0,0]=4 49199 B12R1.477 CCC(C)NCCC1CCCC1 34a_100000739158_100011215416 [0,2,0,1,0,0|1,0,0]=4 49200 B12R1.477 CCC(C)OCCC1CCCC1 34a_100000749090_100011215416 [0,2,0,1,0,0|1,0,0]=4 49201 B12R1.477 CCC(C)OCCC1CCCC1 7a_100000210228_100000760354 [0,2,0,1,0,0|1,0,0]=4 49202 B12R1.477 CCC(C)OCCC1CCCC1 7a_100000749090_100000758301 [0,2,0,1,0,0|1,0,0]=4 49203 B12R1.477 CCC(C)OCCN1CCCC1 7a_100000210228_100000004467 [0,2,0,1,0,0|1,0,0]=4 49204 B12R1.477 CCC(C)SCCC1CCCC1 62a_100000758301_100000760354 [0,2,0,1,0,0|1,0,0]=4 49205 B12R1.477 CCC(C)SCCC1CCCC1 62a_100000760354_100000758301 [0,2,0,1,0,0|1,0,0]=4 49206 B12R1.477 CCC(C)SCCN1CCCC1 62a_100000700749_100000758301 [0,2,0,1,0,0|1,0,0]=4 49207 B12R1.477 CCC(C)SCCN1CCCC1 62a_100000758301_100000004467 [0,2,0,1,0,0|1,0,0]=4 49208 B12R1.477 CCC(O)CNCC1CCCC1 2230a_100000737975_100011218378 [0,2,0,1,0,0|1,0,0]=4 49209 B12R1.477 CCC(O)CNCC1CCCC1 2230a_100011218483_100000740388 [0,2,0,1,0,0|1,0,0]=4 49210 B12R1.477 CCC(O)CNCC1CCCC1 269862a_100011218483_100000746403 [0,2,0,1,0,0|1,0,0]=4 49211 B12R1.477 CCC(O)CNCC1CCCC1 34a_100000737975_100011218378 [0,2,0,1,0,0|1,0,0]=4 49212 B12R1.477 CCC(O)CNCC1CCCO1 2230a_100011218483_100000203698 [0,2,0,1,0,0|1,0,0]=4 49213 B12R1.477 CCC(O)CNCC1CCOC1 2230a_100000737293_100011218378 [0,2,0,1,0,0|1,0,0]=4 49214 B12R1.477 CCC(O)CNCC1CCOC1 2230a_100011218483_100000702531 [0,2,0,1,0,0|1,0,0]=4 49215 B12R1.477 CCC(O)CNCC1CCOC1 34a_100000737293_100011218378 [0,2,0,1,0,0|1,0,0]=4 49216 B12R1.477 CCC(O)CNC[C@@H]1CCCO1 2230a_100020590478_100011218378 [0,2,0,1,0,0|1,0,0]=4 49217 B12R1.477 CCC(O)CNC[C@@H]1CCCO1 34a_100020590478_100011218378 [0,2,0,1,0,0|1,0,0]=4 49218 B12R1.477 CCC(O)COCC1CC=CC1 34a_100000688395_100011218378 [0,2,0,1,0,0|0,0,1]=4 49219 B12R1.477 CCC(O)COCC1CCCC1 34a_100000742336_100011218378 [0,2,0,1,0,0|0,0,0]=3 49220 B12R1.477 CCC(O)COCC1CCCC1 7a_100000742336_100011218378 [0,2,0,1,0,0|0,0,0]=3 49221 B12R1.477 CCC(O)COCC1CCCO1 34a_100000210270_100011218378 [0,2,0,1,0,0|0,0,0]=3 49222 B12R1.477 CCC(O)COCC1CCCO1 7a_100000210270_100011218378 [0,2,0,1,0,0|0,0,0]=3 49223 B12R1.477 CCC(O)COCC1CCNC1 34a_100000748654_100011218378 [0,2,0,1,0,0|0,0,0]=3 49224 B12R1.477 CCC(O)COCC1CCOC1 34a_100000740260_100011218378 [0,2,0,1,0,0|0,0,0]=3 49225 B12R1.477 CCC(O)COCC1COCO1 34a_100011216627_100011218378 [0,2,0,1,0,0|1,0,0]=4 49226 B12R1.477 CCC(O)COCC1OCCO1 34a_100000087154_100011218378 [0,2,0,1,0,0|1,0,0]=4 49227 B12R1.477 CCC(O)COC[C@H]1CCCN1 34a_100000745186_100011218378 [0,2,0,1,0,0|0,0,0]=3 49228 B12R1.477 CCC(O)CSCC1CCCC1 62a_100000740388_100011218378 [0,2,0,1,0,0|0,1,0]=4 49229 B12R1.477 CCC(O)CSCC1CCCC1 62a_100011218378_100000740388 [0,2,0,1,0,0|0,1,0]=4 49230 B12R1.477 CCC(O)CSCC1CCCO1 62a_100000203698_100011218378 [0,2,0,1,0,0|0,1,0]=4 49231 B12R1.477 CCC(O)CSCC1CCCO1 62a_100011218378_100000203698 [0,2,0,1,0,0|0,1,0]=4 49232 B12R1.477 CCC(O)CSCC1CCOC1 62a_100000702531_100011218378 [0,2,0,1,0,0|0,1,0]=4 49233 B12R1.477 CCC(O)CSCC1CCOC1 62a_100011218378_100000702531 [0,2,0,1,0,0|0,1,0]=4 49234 B12R1.477 CCN(C)CCCC1CCCC1 2230a_100000225621_100011713738 [0,2,0,1,0,0|1,0,0]=4 49235 B12R1.477 CCN(C)CCCC1CCCC1 2230a_100015186261_100000210202 [0,2,0,1,0,0|1,0,0]=4 49236 B12R1.477 CCN(C)CCCC1CCCC1 269982a_100000225621_100011713738 [0,2,0,1,0,0|1,0,0]=4 49237 B12R1.477 CCN(C)CCCC1CCCC1 269982a_100015186261_100000204670 [0,2,0,1,0,0|1,0,0]=4 49238 B12R1.477 CCN(C)CCCC1CCCC1 34a_100015186261_100000210202 [0,2,0,1,0,0|1,0,0]=4 49239 B12R1.477 CCN(C)CCCN1CCCC1 2230a_100000188435_100015186262 [0,2,0,1,0,0|1,0,0]=4 49240 B12R1.477 CCN(C)CCCN1CCCC1 2230a_100000225621_100011445909 [0,2,0,1,0,0|1,0,0]=4 49241 B12R1.477 CCN(C)CCCN1CCCC1 269982a_100000188435_100015186262 [0,2,0,1,0,0|1,0,0]=4 49242 B12R1.477 CCN(C)CCCN1CCCC1 269982a_100000225621_100011445909 [0,2,0,1,0,0|1,0,0]=4 49243 B12R1.477 CCN(C)CCCN1CCCC1 269982a_100000233079_100000204670 [0,2,0,1,0,0|1,0,0]=4 49244 B12R1.477 CC[C@H](C)CNCC1CCCC1 2230a_100000737975_100009816398 [0,2,0,1,0,0|1,0,0]=4 49245 B12R1.477 CC[C@H](C)CNCC1CCCC1 34a_100000737975_100009816398 [0,2,0,1,0,0|1,0,0]=4 49246 B12R1.477 CC[C@H](C)CNCC1CCOC1 2230a_100000737293_100009816398 [0,2,0,1,0,0|1,0,0]=4 49247 B12R1.477 CC[C@H](C)CNCC1CCOC1 34a_100000737293_100009816398 [0,2,0,1,0,0|1,0,0]=4 49248 B12R1.477 CC[C@H](C)CNC[C@@H]1CCCO1 2230a_100020590478_100009816398 [0,2,0,1,0,0|1,0,0]=4 49249 B12R1.477 CC[C@H](C)CNC[C@@H]1CCCO1 34a_100020590478_100009816398 [0,2,0,1,0,0|1,0,0]=4 49250 B12R1.477 CC[C@H](C)COCC1CC=CC1 34a_100000688395_100009816398 [0,2,0,1,0,0|0,0,1]=4 49251 B12R1.477 CC[C@H](C)COCC1CCCC1 34a_100000742336_100009816398 [0,2,0,1,0,0|0,0,0]=3 49252 B12R1.477 CC[C@H](C)COCC1CCCC1 7a_100000742336_100009816398 [0,2,0,1,0,0|0,0,0]=3 49253 B12R1.477 CC[C@H](C)COCC1CCCC1 7a_100009816381_100000740388 [0,2,0,1,0,0|0,0,0]=3 49254 B12R1.477 CC[C@H](C)COCC1CCCO1 34a_100000210270_100009816398 [0,2,0,1,0,0|0,0,0]=3 49255 B12R1.477 CC[C@H](C)COCC1CCCO1 7a_100000210270_100009816398 [0,2,0,1,0,0|0,0,0]=3 49256 B12R1.477 CC[C@H](C)COCC1CCCO1 7a_100009816381_100000203698 [0,2,0,1,0,0|0,0,0]=3 49257 B12R1.477 CC[C@H](C)COCC1CCNC1 34a_100000748654_100009816398 [0,2,0,1,0,0|0,0,0]=3 49258 B12R1.477 CC[C@H](C)COCC1CCOC1 34a_100000740260_100009816398 [0,2,0,1,0,0|0,0,0]=3 49259 B12R1.477 CC[C@H](C)COCC1CCOC1 7a_100009816381_100000702531 [0,2,0,1,0,0|0,0,0]=3 49260 B12R1.477 CC[C@H](C)COCC1COCO1 34a_100011216627_100009816398 [0,2,0,1,0,0|1,0,0]=4 49261 B12R1.477 CC[C@H](C)COCC1OCCO1 34a_100000087154_100009816398 [0,2,0,1,0,0|1,0,0]=4 49262 B12R1.477 CC[C@H](C)COCC1OCCO1 7a_100009816381_100000755774 [0,2,0,1,0,0|1,0,0]=4 49263 B12R1.477 CC[C@H](C)COC[C@H]1CCCN1 34a_100000745186_100009816398 [0,2,0,1,0,0|0,0,0]=3 49264 B12R1.477 CC[C@H](C)CSCC1CCCC1 62a_100000740388_100009816398 [0,2,0,1,0,0|0,1,0]=4 49265 B12R1.477 CC[C@H](C)CSCC1CCCC1 62a_100009816398_100000740388 [0,2,0,1,0,0|0,1,0]=4 49266 B12R1.477 CC[C@H](C)CSCC1CCCO1 62a_100000203698_100009816398 [0,2,0,1,0,0|0,1,0]=4 49267 B12R1.477 CC[C@H](C)CSCC1CCCO1 62a_100009816398_100000203698 [0,2,0,1,0,0|0,1,0]=4 49268 B12R1.477 CC[C@H](C)CSCC1CCOC1 62a_100000702531_100009816398 [0,2,0,1,0,0|0,1,0]=4 49269 B12R1.477 CC[C@H](C)CSCC1CCOC1 62a_100009816398_100000702531 [0,2,0,1,0,0|0,1,0]=4 49270 B12R1.477 CNC(=O)CCOC1CCCC1 34a_100000210269_100012179268 [0,2,0,1,0,0|0,0,1]=4 49271 B12R1.477 CNC(=O)CCOC1CCCC1 34a_100000754576_100000179811 [0,2,0,1,0,0|0,0,1]=4 49272 B12R1.477 CNC(=O)CCOC1CCCC1 7a_100000210269_100000737683 [0,2,0,1,0,0|0,0,1]=4 49273 B12R1.477 COC(=O)CCOC1CCCC1 34a_100000210269_100000742370 [0,2,0,1,0,0|0,0,1]=4 49274 B12R1.477 COC(=O)CCOC1CCCC1 7a_100000210269_100000204255 [0,2,0,1,0,0|0,0,1]=4 49275 B12R1.477 COC(C)CCOC1CCCC1 7a_100000764861_100000179811 [0,2,0,1,0,0|0,0,0]=3 49276 B12R1.477 COC(C)CCOC1CCOC1 7a_100000764861_100000731011 [0,2,0,1,0,0|1,0,0]=4 49277 B12R1.477 COC(C)COCC1CCCC1 34a_100000690652_100000740388 [0,2,0,1,0,0|1,0,0]=4 49278 B12R1.477 COC(C)COCC1CCOC1 34a_100000690652_100011261433 [0,2,0,1,0,0|1,0,0]=4 49279 B12R1.477 C[C@@H](CO)COCC1CCCC1 34a_100000742336_100000059175 [0,2,0,1,0,0|1,0,0]=4 49280 B12R1.477 C[C@@H](CO)COCC1CCCC1 7a_100000742336_100000059175 [0,2,0,1,0,0|1,0,0]=4 49281 B12R1.477 C[C@@H](CO)COCC1CCCO1 34a_100000210270_100000059175 [0,2,0,1,0,0|1,0,0]=4 49282 B12R1.477 C[C@@H](CO)COCC1CCCO1 7a_100000210270_100000059175 [0,2,0,1,0,0|1,0,0]=4 49283 B12R1.477 C[C@@H](CO)COCC1CCNC1 34a_100000748654_100000059175 [0,2,0,1,0,0|1,0,0]=4 49284 B12R1.477 C[C@@H](CO)COCC1CCOC1 34a_100000740260_100000059175 [0,2,0,1,0,0|1,0,0]=4 49285 B12R1.477 C[C@@H](CO)COC[C@H]1CCCN1 34a_100000745186_100000059175 [0,2,0,1,0,0|1,0,0]=4 49286 B12R1.477 ClCC(Cl)COCC1CCCC1 34a_100000033668_100000740388 [0,2,0,1,0,0|1,0,0]=4 49287 B12R1.477 ClCC(Cl)COCC1CCOC1 34a_100000033668_100011261433 [0,2,0,1,0,0|1,0,0]=4 49288 B12R1.477 NC[C@@H](F)COCC1CCCC1 34a_100015665980_100000740388 [0,2,0,1,0,0|1,0,0]=4 49289 B12R1.477 NC[C@@H](F)COCC1CCOC1 34a_100015665980_100011261433 [0,2,0,1,0,0|1,0,0]=4 49290 B12R1.477 OCC(O)COCC1CCCC1 34a_100000742336_100011219619 [0,2,0,1,0,0|1,0,0]=4 49291 B12R1.477 OCC(O)COCC1CCCC1 7a_100000742336_100011219619 [0,2,0,1,0,0|1,0,0]=4 49292 B12R1.477 OCC(O)COCC1CCCO1 34a_100000210270_100011219619 [0,2,0,1,0,0|1,0,0]=4 49293 B12R1.477 OCC(O)COCC1CCCO1 7a_100000210270_100011219619 [0,2,0,1,0,0|1,0,0]=4 49294 B12R1.477 OCC(O)COCC1CCNC1 34a_100000748654_100011219619 [0,2,0,1,0,0|1,0,0]=4 49295 B12R1.477 OCC(O)COCC1CCOC1 34a_100000740260_100011219619 [0,2,0,1,0,0|1,0,0]=4 49296 B12R1.477 OCC(O)COC[C@H]1CCCN1 34a_100000745186_100011219619 [0,2,0,1,0,0|1,0,0]=4 49297 B12R1.477 OC[C@H](O)COCC1CCCC1 34a_100000742336_100009815848 [0,2,0,1,0,0|1,0,0]=4 49298 B12R1.477 OC[C@H](O)COCC1CCCC1 7a_100000742336_100009815848 [0,2,0,1,0,0|1,0,0]=4 49299 B12R1.477 OC[C@H](O)COCC1CCCO1 34a_100000210270_100009815848 [0,2,0,1,0,0|1,0,0]=4 49300 B12R1.477 OC[C@H](O)COCC1CCCO1 7a_100000210270_100009815848 [0,2,0,1,0,0|1,0,0]=4 49301 B12R1.477 OC[C@H](O)COCC1CCNC1 34a_100000748654_100009815848 [0,2,0,1,0,0|1,0,0]=4 49302 B12R1.477 OC[C@H](O)COCC1CCOC1 34a_100000740260_100009815848 [0,2,0,1,0,0|1,0,0]=4 49303 B12R1.477 OC[C@H](O)COC[C@H]1CCCN1 34a_100000745186_100009815848 [0,2,0,1,0,0|1,0,0]=4 49304 B12R1.477 O[C@@H](CF)COCC1CCCC1 34a_100000742336_100015614560 [0,2,0,1,0,0|1,0,0]=4 49305 B12R1.477 O[C@@H](CF)COCC1CCCC1 7a_100000742336_100015614560 [0,2,0,1,0,0|1,0,0]=4 49306 B12R1.477 O[C@@H](CF)COCC1CCCO1 34a_100000210270_100015614560 [0,2,0,1,0,0|1,0,0]=4 49307 B12R1.477 O[C@@H](CF)COCC1CCCO1 7a_100000210270_100015614560 [0,2,0,1,0,0|1,0,0]=4 49308 B12R1.477 O[C@@H](CF)COCC1CCNC1 34a_100000748654_100015614560 [0,2,0,1,0,0|1,0,0]=4 49309 B12R1.477 O[C@@H](CF)COCC1CCOC1 34a_100000740260_100015614560 [0,2,0,1,0,0|1,0,0]=4 49310 B12R1.477 O[C@@H](CF)COC[C@H]1CCCN1 34a_100000745186_100015614560 [0,2,0,1,0,0|1,0,0]=4 49311 B12R1.1527 CCCC(=O)COCC1(CC1)C 7a_100000698024_100000747444 [0,2,0,1,0,0|0,0,1]=4 49312 B12R1.1527 CCCC(=O)COCC1(CC1)F 7a_200000703853_100000747444 [0,2,0,1,0,0|0,0,1]=4 49313 B12R1.1527 CCCC(C)CNCC1(CC1)C 2230a_100000766693_100011216630 [0,2,0,1,0,0|1,0,0]=4 49314 B12R1.1527 CCCC(C)CNCC1(CC1)C 270004a_100000766693_100000243154 [0,2,0,1,0,0|1,0,0]=4 49315 B12R1.1527 CCCC(C)CNCC1(CC1)O 2230a_100011936951_100011216630 [0,2,0,1,0,0|1,0,0]=4 49316 B12R1.1527 CCCC(C)CNCC1(CC1)O 270004a_100011936951_100000243154 [0,2,0,1,0,0|1,0,0]=4 49317 B12R1.1527 CCCC(C)COCC1(CC1)C 7a_100000698024_100011216630 [0,2,0,1,0,0|0,0,0]=3 49318 B12R1.1527 CCCC(C)COCC1(CC1)F 34a_200000703853_100011216630 [0,2,0,1,0,0|0,0,0]=3 49319 B12R1.1527 CCCC(C)COCC1(CC1)F 7a_200000703853_100011216630 [0,2,0,1,0,0|0,0,0]=3 49320 B12R1.1527 CCCC(C)COCC1(CO1)C 34a_100000688023_100000760498 [0,2,0,1,0,0|1,0,0]=4 49321 B12R1.1527 CCC[C@H](N)COCC1(CO1)C 34a_100000732646_100000760498 [0,2,0,1,0,0|1,0,0]=4 49322 B12R1.1527 COCC(O)COCC1(CC1)C 7a_100000698024_100011215053 [0,2,0,1,0,0|1,0,0]=4 49323 B12R1.1527 COCC(O)COCC1(CC1)F 34a_200000703853_100011215053 [0,2,0,1,0,0|1,0,0]=4 49324 B12R1.1527 COCC(O)COCC1(CC1)F 7a_200000703853_100011215053 [0,2,0,1,0,0|1,0,0]=4 49325 B12R1.1619 CCCC(C)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011216630 [0,2,0,1,0,0|1,0,0]=4 49326 B12R1.1619 CCCC(C)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011216630 [0,2,0,1,0,0|1,0,0]=4 49327 B12R1.1619 CCCC(C)CN1C[C@@H]([C@@H]1C)O 270004a_206633788156_100000243154 [0,2,0,1,0,0|1,0,0]=4 49328 B12R1.1689 CCC(C)CCNC(C)C1CC1 269862a_100020591266_100000210639 [0,2,0,1,0,0|1,0,0]=4 49329 B12R1.1689 CCC(C)CNCC(O)C1CC1 2230a_100000751198_100000748023 [0,2,0,1,0,0|1,0,0]=4 49330 B12R1.1689 CCC(C)CNCC(O)C1CC1 270004a_100000751198_100000243153 [0,2,0,1,0,0|1,0,0]=4 49331 B12R1.1689 CCC(C)CNCC(O)C1CC1 34a_100000751198_100000748023 [0,2,0,1,0,0|1,0,0]=4 49332 B12R1.1689 CCC(C)COCC(=O)C1CC1 34a_100000686663_100000748023 [0,2,0,1,0,0|0,0,1]=4 49333 B12R1.1689 CCC(C)COC[C@H](N)C1CC1 34a_100020623730_100000748023 [0,2,0,1,0,0|0,0,0]=3 49334 B12R1.1689 CCC(O)CNCC(O)C1CC1 2230a_100000751198_100011218378 [0,2,0,1,0,0|1,0,0]=4 49335 B12R1.1689 CCC(O)CNCC(O)C1CC1 34a_100000751198_100011218378 [0,2,0,1,0,0|1,0,0]=4 49336 B12R1.1689 CCC(O)COCC(=O)C1CC1 34a_100000686663_100011218378 [0,2,0,1,0,0|0,0,1]=4 49337 B12R1.1689 CCC(O)COC[C@H](N)C1CC1 34a_100020623730_100011218378 [0,2,0,1,0,0|0,0,0]=3 49338 B12R1.1689 CC[C@H](C)CNCC(O)C1CC1 2230a_100000751198_100009816398 [0,2,0,1,0,0|1,0,0]=4 49339 B12R1.1689 CC[C@H](C)CNCC(O)C1CC1 34a_100000751198_100009816398 [0,2,0,1,0,0|1,0,0]=4 49340 B12R1.1689 CC[C@H](C)COCC(=O)C1CC1 34a_100000686663_100009816398 [0,2,0,1,0,0|0,0,1]=4 49341 B12R1.1689 CC[C@H](C)COCC(=O)C1CC1 7a_100009816381_100000746382 [0,2,0,1,0,0|0,0,1]=4 49342 B12R1.1689 CC[C@H](C)COC[C@H](N)C1CC1 34a_100020623730_100009816398 [0,2,0,1,0,0|0,0,0]=3 49343 B12R1.1689 C[C@@H](CO)COC[C@H](N)C1CC1 34a_100020623730_100000059175 [0,2,0,1,0,0|1,0,0]=4 49344 B12R1.1689 N[C@@H](COCC(O)CO)C1CC1 34a_100020623730_100011219619 [0,2,0,1,0,0|1,0,0]=4 49345 B12R1.1689 N[C@@H](COC[C@@H](O)CF)C1CC1 34a_100020623730_100015614560 [0,2,0,1,0,0|1,0,0]=4 49346 B12R1.1689 N[C@@H](COC[C@@H](O)CO)C1CC1 34a_100020623730_100009815848 [0,2,0,1,0,0|1,0,0]=4 49347 B12R1.1849 CC(CN)COCC1(CCC1)C 34a_100000744482_100000726658 [0,2,0,1,0,0|1,0,0]=4 49348 B12R1.1849 CC1(CCC1)COCC(Cl)CCl 34a_100000033668_100000726658 [0,2,0,1,0,0|1,0,0]=4 49349 B12R1.1849 CC1(CCC1)COC[C@H](F)CN 34a_100015665980_100000726658 [0,2,0,1,0,0|1,0,0]=4 49350 B12R1.1849 CCC(=O)COCC1(CCC1)C 34a_100000725409_100000726658 [0,2,0,1,0,0|0,0,1]=4 49351 B12R1.1849 CCC(C)CNCC1(CCC1)C 2230a_100000706607_100000748023 [0,2,0,1,0,0|1,0,0]=4 49352 B12R1.1849 CCC(C)CNCC1(CCC1)C 2230a_100020588543_100000726658 [0,2,0,1,0,0|1,0,0]=4 49353 B12R1.1849 CCC(C)CNCC1(CCC1)C 270004a_100000706607_100000243153 [0,2,0,1,0,0|1,0,0]=4 49354 B12R1.1849 CCC(C)CNCC1(CCC1)O 2230a_100000752638_100000748023 [0,2,0,1,0,0|1,0,0]=4 49355 B12R1.1849 CCC(C)CNCC1(CCC1)O 270004a_100000752638_100000243153 [0,2,0,1,0,0|1,0,0]=4 49356 B12R1.1849 CCC(C)COCC1(CSC1)C 34a_100000732658_100000748023 [0,2,0,1,0,0|1,0,0]=4 49357 B12R1.1849 CCC(C)COCC1(CSC1)C 7a_100000732658_100000748023 [0,2,0,1,0,0|1,0,0]=4 49358 B12R1.1849 CCC(C)CSCC1(CCC1)C 62a_100000726658_100000748023 [0,2,0,1,0,0|0,1,0]=4 49359 B12R1.1849 CCC(C)CSCC1(CCC1)C 62a_100000748023_100000726658 [0,2,0,1,0,0|0,1,0]=4 49360 B12R1.1849 CCC(O)CNCC1(CCC1)C 2230a_100000706607_100011218378 [0,2,0,1,0,0|1,0,0]=4 49361 B12R1.1849 CCC(O)CNCC1(CCC1)C 2230a_100011218483_100000726658 [0,2,0,1,0,0|1,0,0]=4 49362 B12R1.1849 CCC(O)CNCC1(CCC1)O 2230a_100000752638_100011218378 [0,2,0,1,0,0|1,0,0]=4 49363 B12R1.1849 CCC(O)COCC1(CSC1)C 34a_100000732658_100011218378 [0,2,0,1,0,0|1,0,0]=4 49364 B12R1.1849 CCC(O)COCC1(CSC1)C 7a_100000732658_100011218378 [0,2,0,1,0,0|1,0,0]=4 49365 B12R1.1849 CCC(O)CSCC1(CCC1)C 62a_100000726658_100011218378 [0,2,0,1,0,0|0,1,0]=4 49366 B12R1.1849 CCC(O)CSCC1(CCC1)C 62a_100011218378_100000726658 [0,2,0,1,0,0|0,1,0]=4 49367 B12R1.1849 CC[C@H](C)CNCC1(CCC1)C 2230a_100000706607_100009816398 [0,2,0,1,0,0|1,0,0]=4 49368 B12R1.1849 CC[C@H](C)CNCC1(CCC1)O 2230a_100000752638_100009816398 [0,2,0,1,0,0|1,0,0]=4 49369 B12R1.1849 CC[C@H](C)COCC1(CCC1)C 7a_100009816381_100000726658 [0,2,0,1,0,0|0,0,0]=3 49370 B12R1.1849 CC[C@H](C)COCC1(COC1)C 7a_100009816381_100009817586 [0,2,0,1,0,0|1,0,0]=4 49371 B12R1.1849 CC[C@H](C)COCC1(CSC1)C 34a_100000732658_100009816398 [0,2,0,1,0,0|1,0,0]=4 49372 B12R1.1849 CC[C@H](C)COCC1(CSC1)C 7a_100000732658_100009816398 [0,2,0,1,0,0|1,0,0]=4 49373 B12R1.1849 CC[C@H](C)CSCC1(CCC1)C 62a_100000726658_100009816398 [0,2,0,1,0,0|0,1,0]=4 49374 B12R1.1849 CC[C@H](C)CSCC1(CCC1)C 62a_100009816398_100000726658 [0,2,0,1,0,0|0,1,0]=4 49375 B12R1.1849 COC(C)COCC1(CCC1)C 34a_100000690652_100000726658 [0,2,0,1,0,0|1,0,0]=4 49376 B12R1.130 C=C(C)CCOC1CCCC1C 34a_100011216460_100000730704 [0,2,0,1,0,0|0,0,1]=4 49377 B12R1.130 C=C(C)CCOC1CCCC1C 7a_100011216460_100000730704 [0,2,0,1,0,0|0,0,1]=4 49378 B12R1.130 C=C(C)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000730704 [0,2,0,1,0,0|0,0,1]=4 49379 B12R1.130 C=C(C)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000730704 [0,2,0,1,0,0|0,0,1]=4 49380 B12R1.130 C=C(C)CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000730704 [0,2,0,1,0,0|0,0,1]=4 49381 B12R1.130 CC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011215641 [0,2,0,1,0,0|1,0,0]=4 49382 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011215641 [0,2,0,1,0,0|1,0,0]=4 49383 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000685027 [0,2,0,1,0,0|1,0,0]=4 49384 B12R1.130 CC(=O)CCOC1CCCC1C 7a_100011216460_100000053229 [0,2,0,1,0,0|0,0,1]=4 49385 B12R1.130 CC(Br)CCOC1CCCC1=O 34a_100009893172_100000709159 [0,2,0,1,0,0|0,0,1]=4 49386 B12R1.130 CC(Br)CCOC1COCC1O 34a_100009893172_200000725654 [0,2,0,1,0,0|1,0,0]=4 49387 B12R1.130 CC(C)CCCN1CCC[C@@H]1C 2230a_100020605311_100011214892 [0,2,0,1,0,0|1,0,0]=4 49388 B12R1.130 CC(C)CCCN1CCC[C@@H]1C 269982a_100020605311_100011214892 [0,2,0,1,0,0|1,0,0]=4 49389 B12R1.130 CC(C)CCCN1CCC[C@H]1C 2230a_100015189458_100011214892 [0,2,0,1,0,0|1,0,0]=4 49390 B12R1.130 CC(C)CCCN1CCC[C@H]1C 269982a_100015189458_100011214892 [0,2,0,1,0,0|1,0,0]=4 49391 B12R1.130 CC(C)CCCN1CCC[C@H]1C 34a_100015189458_100011214892 [0,2,0,1,0,0|1,0,0]=4 49392 B12R1.130 CC(C)CCCN1CCSC1C 2230a_200011216479_100011214892 [0,2,0,1,0,0|1,0,0]=4 49393 B12R1.130 CC(C)CCCN1CCSC1C 269982a_200011216479_100011214892 [0,2,0,1,0,0|1,0,0]=4 49394 B12R1.130 CC(C)CCCN1CCSC1C 34a_200011216479_100011214892 [0,2,0,1,0,0|1,0,0]=4 49395 B12R1.130 CC(C)CCNC1CCCC1C 269862a_100000210545_100000752053 [0,2,0,1,0,0|1,0,0]=4 49396 B12R1.130 CC(C)CCNC1CCOC1C 270004a_100000210545_100000691750 [0,2,0,1,0,0|1,0,0]=4 49397 B12R1.130 CC(C)CCN[C@H]1CCC[C@@H]1O 269862a_100000748460_100000185833 [0,2,0,1,0,0|1,0,0]=4 49398 B12R1.130 CC(C)CCOC1CCCC1=O 34a_100000210254_100000709159 [0,2,0,1,0,0|0,0,1]=4 49399 B12R1.130 CC(C)CCOC1CCCC1=O 34a_200000719330_100000210312 [0,2,0,1,0,0|0,0,1]=4 49400 B12R1.130 CC(C)CCOC1CCCC1=O 7a_100000210254_100000211823 [0,2,0,1,0,0|0,0,1]=4 49401 B12R1.130 CC(C)CCOC1CCCC1C 34a_100011216460_100000210312 [0,2,0,1,0,0|0,0,0]=3 49402 B12R1.130 CC(C)CCOC1CCCC1C 7a_100011216460_100000210626 [0,2,0,1,0,0|0,0,0]=3 49403 B12R1.130 CC(C)CCOC1COCC1O 34a_100000210254_200000725654 [0,2,0,1,0,0|1,0,0]=4 49404 B12R1.130 CC(C)CCOC1COCC1O 7a_100000210254_200000725654 [0,2,0,1,0,0|1,0,0]=4 49405 B12R1.130 CC(C)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210312 [0,2,0,1,0,0|0,0,0]=3 49406 B12R1.130 CC(C)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210312 [0,2,0,1,0,0|0,0,0]=3 49407 B12R1.130 CC(C)CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210312 [0,2,0,1,0,0|0,0,0]=3 49408 B12R1.130 CC(C)CCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210312 [0,2,0,1,0,0|1,0,0]=4 49409 B12R1.130 CC(C)CCS[C@@H]1CCC[C@H]1O 62a_100000210312_200016002552 [0,2,0,1,0,0|0,1,0]=4 49410 B12R1.130 CC(C)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210312 [0,2,0,1,0,0|0,1,0]=4 49411 B12R1.130 CC(C)OCCN1CCC[C@@H]1C 2230a_100020605311_100000211751 [0,2,0,1,0,0|1,0,0]=4 49412 B12R1.130 CC(C)OCCN1CCC[C@@H]1C 269982a_100020605311_100000211751 [0,2,0,1,0,0|1,0,0]=4 49413 B12R1.130 CC(C)OCCN1CCC[C@H]1C 2230a_100015189458_100000211751 [0,2,0,1,0,0|1,0,0]=4 49414 B12R1.130 CC(C)OCCN1CCC[C@H]1C 269982a_100015189458_100000211751 [0,2,0,1,0,0|1,0,0]=4 49415 B12R1.130 CC(C)OCCN1CCC[C@H]1C 34a_100015189458_100000211751 [0,2,0,1,0,0|1,0,0]=4 49416 B12R1.130 CC(C)OCOC1CCCC1C 34a_100011216460_100000709892 [0,2,0,1,0,0|1,0,0]=4 49417 B12R1.130 CC(C)OCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000709892 [0,2,0,1,0,0|1,0,0]=4 49418 B12R1.130 CC(C)OCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000709892 [0,2,0,1,0,0|1,0,0]=4 49419 B12R1.130 CC(C)OCO[C@H]1CNC[C@H]1C 34a_200015306588_100000709892 [0,2,0,1,0,0|1,0,0]=4 49420 B12R1.130 CC(C)SCCN1CCC[C@@H]1C 2230a_100020605311_100000730970 [0,2,0,1,0,0|1,0,0]=4 49421 B12R1.130 CC(C)SCCN1CCC[C@@H]1C 269982a_100020605311_100000730970 [0,2,0,1,0,0|1,0,0]=4 49422 B12R1.130 CC(C)SCCN1CCC[C@H]1C 2230a_100015189458_100000730970 [0,2,0,1,0,0|1,0,0]=4 49423 B12R1.130 CC(C)SCCN1CCC[C@H]1C 269982a_100015189458_100000730970 [0,2,0,1,0,0|1,0,0]=4 49424 B12R1.130 CC(C)SCCN1CCC[C@H]1C 34a_100015189458_100000730970 [0,2,0,1,0,0|1,0,0]=4 49425 B12R1.130 CC(O)CCCN1CCC[C@@H]1C 2230a_100020605311_200000718107 [0,2,0,1,0,0|1,0,0]=4 49426 B12R1.130 CC(O)CCCN1CCC[C@@H]1C 269982a_100020605311_200000718107 [0,2,0,1,0,0|1,0,0]=4 49427 B12R1.130 CC(O)CCCN1CCC[C@H]1C 2230a_100015189458_200000718107 [0,2,0,1,0,0|1,0,0]=4 49428 B12R1.130 CC(O)CCCN1CCC[C@H]1C 269982a_100015189458_200000718107 [0,2,0,1,0,0|1,0,0]=4 49429 B12R1.130 CC(O)CCCN1CCC[C@H]1C 34a_100015189458_200000718107 [0,2,0,1,0,0|1,0,0]=4 49430 B12R1.130 CC(O)CCCN1CCSC1C 2230a_200011216479_200000718107 [0,2,0,1,0,0|1,0,0]=4 49431 B12R1.130 CC(O)CCCN1CCSC1C 269982a_200011216479_200000718107 [0,2,0,1,0,0|1,0,0]=4 49432 B12R1.130 CC(O)CCCN1CCSC1C 34a_200011216479_200000718107 [0,2,0,1,0,0|1,0,0]=4 49433 B12R1.130 CC(O)CCNC1CCCC1C 269862a_200000755665_100000752053 [0,2,0,1,0,0|1,0,0]=4 49434 B12R1.130 CC(O)CCNC1CCOC1C 270004a_200000755665_100000691750 [0,2,0,1,0,0|1,0,0]=4 49435 B12R1.130 CC(O)CCOC1CCCC1=O 34a_200000719330_100012276601 [0,2,0,1,0,0|0,0,1]=4 49436 B12R1.130 CC(O)CCOC1CCCC1C 34a_100011216460_100012276601 [0,2,0,1,0,0|0,0,0]=3 49437 B12R1.130 CC(O)CCOC1CCCC1C 7a_100011216460_100012276601 [0,2,0,1,0,0|0,0,0]=3 49438 B12R1.130 CC(O)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100012276601 [0,2,0,1,0,0|0,0,0]=3 49439 B12R1.130 CC(O)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100012276601 [0,2,0,1,0,0|0,0,0]=3 49440 B12R1.130 CC(O)CCO[C@H]1CNC[C@H]1C 34a_200015306588_100012276601 [0,2,0,1,0,0|0,0,0]=3 49441 B12R1.130 CC(O)CCO[C@H]1COC[C@@H]1N 34a_100015191717_100012276601 [0,2,0,1,0,0|1,0,0]=4 49442 B12R1.130 CC(O)CCS[C@@H]1CCC[C@H]1O 62a_100012276601_200016002552 [0,2,0,1,0,0|0,1,0]=4 49443 B12R1.130 CC(O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100012276601 [0,2,0,1,0,0|0,1,0]=4 49444 B12R1.130 CC1CCCC1OCCN(C)C 7a_100011216460_100000755713 [0,2,0,1,0,0|1,0,0]=4 49445 B12R1.130 C[C@@H](N)CCOC1CCCC1=O 34a_100000706166_100000709159 [0,2,0,1,0,0|0,0,1]=4 49446 B12R1.130 C[C@@H](N)CCOC1COCC1O 34a_100000706166_200000725654 [0,2,0,1,0,0|1,0,0]=4 49447 B12R1.130 C[C@@H]1CCCN1CCCN(C)C 269982a_100015189458_100000757444 [0,2,0,1,0,0|1,0,0]=4 49448 B12R1.130 C[C@H]1CCCN1CCCN(C)C 269982a_100020605311_100000757444 [0,2,0,1,0,0|1,0,0]=4 49449 B12R1.220 C=C(C)CCOCC1CC(C1)Cl 34a_100009874164_100000730704 [0,2,0,1,0,0|0,0,1]=4 49450 B12R1.220 C=C1CC(C1)COCCC(C)C 34a_100011011225_100000210312 [0,2,0,1,0,0|0,0,1]=4 49451 B12R1.220 C=C1CC(C1)COCCC(C)O 34a_100011011225_100012276601 [0,2,0,1,0,0|0,0,1]=4 49452 B12R1.220 CC(C)CCCNC1CC(C1)F 2230a_100016993743_100011214892 [0,2,0,1,0,0|1,0,0]=4 49453 B12R1.220 CC(C)CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011214892 [0,2,0,1,0,0|1,0,0]=4 49454 B12R1.220 CC(C)CCNCC1CC(C1)O 2230a_100016992100_100000210312 [0,2,0,1,0,0|1,0,0]=4 49455 B12R1.220 CC(C)CCNCC1CC(C1)O 269862a_100016992100_100000185833 [0,2,0,1,0,0|1,0,0]=4 49456 B12R1.220 CC(C)CCOCC1CC(=O)C1 34a_100000101936_100000210312 [0,2,0,1,0,0|0,0,1]=4 49457 B12R1.220 CC(C)CCOCC1CC(=O)C1 7a_100000210254_100009874392 [0,2,0,1,0,0|0,0,1]=4 49458 B12R1.220 CC(C)CCOCC1CC(C1)Cl 34a_100009874164_100000210312 [0,2,0,1,0,0|0,0,0]=3 49459 B12R1.220 CC(C)OCOCC1CC(C1)Cl 34a_100009874164_100000709892 [0,2,0,1,0,0|1,0,0]=4 49460 B12R1.220 CC(O)CCCNC1CC(C1)F 2230a_100016993743_200000718107 [0,2,0,1,0,0|1,0,0]=4 49461 B12R1.220 CC(O)CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000718107 [0,2,0,1,0,0|1,0,0]=4 49462 B12R1.220 CC(O)CCNCC1CC(C1)O 2230a_100016992100_100012276601 [0,2,0,1,0,0|1,0,0]=4 49463 B12R1.220 CC(O)CCOCC1CC(=O)C1 34a_100000101936_100012276601 [0,2,0,1,0,0|0,0,1]=4 49464 B12R1.220 CC(O)CCOCC1CC(C1)Cl 34a_100009874164_100012276601 [0,2,0,1,0,0|0,0,0]=3 49465 B12R1.226 CC(C)CCN1CCCC(C1)F 2230a_100000697950_100000210312 [0,2,0,1,0,0|1,0,0]=4 49466 B12R1.226 CC(C)CCN1CCCC(C1)F 269982a_100000697950_100000210312 [0,2,0,1,0,0|1,0,0]=4 49467 B12R1.226 CC(C)CCN1CCCC(C1)F 34a_100000697950_100000210312 [0,2,0,1,0,0|1,0,0]=4 49468 B12R1.226 CC(C)CCN1CCCC(C1)O 2230a_100000211013_100000210312 [0,2,0,1,0,0|1,0,0]=4 49469 B12R1.226 CC(C)CCN1CCCC(C1)O 269982a_100000211013_100000210312 [0,2,0,1,0,0|1,0,0]=4 49470 B12R1.226 CC(C)CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210312 [0,2,0,1,0,0|1,0,0]=4 49471 B12R1.226 CC(C)CCN1CCC[C@@H](C1)C 269982a_100000717927_100000210312 [0,2,0,1,0,0|1,0,0]=4 49472 B12R1.226 CC(C)CCN1CCC[C@@H](C1)C 34a_100000717927_100000210312 [0,2,0,1,0,0|1,0,0]=4 49473 B12R1.226 CC(O)CCN1CCCC(C1)F 2230a_100000697950_100012276601 [0,2,0,1,0,0|1,0,0]=4 49474 B12R1.226 CC(O)CCN1CCCC(C1)F 269982a_100000697950_100012276601 [0,2,0,1,0,0|1,0,0]=4 49475 B12R1.226 CC(O)CCN1CCCC(C1)F 34a_100000697950_100012276601 [0,2,0,1,0,0|1,0,0]=4 49476 B12R1.226 CC(O)CCN1CCCC(C1)O 2230a_100000211013_100012276601 [0,2,0,1,0,0|1,0,0]=4 49477 B12R1.226 CC(O)CCN1CCCC(C1)O 269982a_100000211013_100012276601 [0,2,0,1,0,0|1,0,0]=4 49478 B12R1.226 CC(O)CCN1CCC[C@@H](C1)C 2230a_100000717927_100012276601 [0,2,0,1,0,0|1,0,0]=4 49479 B12R1.226 CC(O)CCN1CCC[C@@H](C1)C 269982a_100000717927_100012276601 [0,2,0,1,0,0|1,0,0]=4 49480 B12R1.226 CC(O)CCN1CCC[C@@H](C1)C 34a_100000717927_100012276601 [0,2,0,1,0,0|1,0,0]=4 49481 B12R1.255 C=C(C)CCOCC1CCCC1 34a_100000742336_100000730704 [0,2,0,1,0,0|0,0,1]=4 49482 B12R1.255 C=C(C)CCOCC1CCCC1 34a_100000764851_100000740388 [0,2,0,1,0,0|0,0,1]=4 49483 B12R1.255 C=C(C)CCOCC1CCCC1 7a_100000742336_100000730704 [0,2,0,1,0,0|0,0,1]=4 49484 B12R1.255 C=C(C)CCOCC1CCCO1 34a_100000210270_100000730704 [0,2,0,1,0,0|0,0,1]=4 49485 B12R1.255 C=C(C)CCOCC1CCCO1 7a_100000210270_100000730704 [0,2,0,1,0,0|0,0,1]=4 49486 B12R1.255 C=C(C)CCOCC1CCNC1 34a_100000748654_100000730704 [0,2,0,1,0,0|0,0,1]=4 49487 B12R1.255 C=C(C)CCOCC1CCOC1 34a_100000740260_100000730704 [0,2,0,1,0,0|0,0,1]=4 49488 B12R1.255 C=C(C)CCOCC1CCOC1 34a_100000764851_100011261433 [0,2,0,1,0,0|0,0,1]=4 49489 B12R1.255 C=C(C)CCOC[C@H]1CCCN1 34a_100000745186_100000730704 [0,2,0,1,0,0|0,0,1]=4 49490 B12R1.255 CC(=CCCOC1CCCC1)C 34a_100000210269_100011217483 [0,2,0,1,0,0|0,0,1]=4 49491 B12R1.255 CC(=CCCOC1CCCC1)C 7a_100000210269_100011217483 [0,2,0,1,0,0|0,0,1]=4 49492 B12R1.255 CC(=O)CCCCN1CCCC1 269982a_100000188435_100000735457 [0,2,0,1,0,0|1,0,0]=4 49493 B12R1.255 CC(=O)CCCNC1CCCC1 34a_100000211070_100000685027 [0,2,0,1,0,0|1,0,0]=4 49494 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000210269_100000685027 [0,2,0,1,0,0|0,0,0]=3 49495 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000759063_100000179811 [0,2,0,1,0,0|0,0,0]=3 49496 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000210269_100011215641 [0,2,0,1,0,0|0,0,0]=3 49497 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000759063_100000179811 [0,2,0,1,0,0|0,0,0]=3 49498 B12R1.255 CC(=O)CCCOC1CCCO1 34a_100000085407_100000685027 [0,2,0,1,0,0|0,0,1]=4 49499 B12R1.255 CC(=O)CCCOC1CCOC1 34a_100000759063_100000690089 [0,2,0,1,0,0|0,0,1]=4 49500 B12R1.255 CC(=O)CCCOC1CCOC1 7a_100000759063_100000731011 [0,2,0,1,0,0|0,0,1]=4 49501 B12R1.255 CC(=O)CCCOC1CCSC1 7a_100011232664_100011215641 [0,2,0,1,0,0|0,0,1]=4 49502 B12R1.255 CC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100000685027 [0,2,0,1,0,0|0,0,1]=4 49503 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011215641_100000179811 [0,2,0,1,0,0|0,1,0]=4 49504 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011217020_100011215641 [0,2,0,1,0,0|0,1,0]=4 49505 B12R1.255 CC(=O)CCOCC1CCCC1 34a_100000759926_100000740388 [0,2,0,1,0,0|0,0,1]=4 49506 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000742336_100000053229 [0,2,0,1,0,0|0,0,1]=4 49507 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000759926_100000740388 [0,2,0,1,0,0|0,0,1]=4 49508 B12R1.255 CC(=O)CCOCC1CCCO1 7a_100000210270_100000053229 [0,2,0,1,0,0|0,0,1]=4 49509 B12R1.255 CC(=O)CCOCC1CCCO1 7a_100000759926_100000203698 [0,2,0,1,0,0|0,0,1]=4 49510 B12R1.255 CC(=O)CCOCC1CCOC1 34a_100000759926_100011261433 [0,2,0,1,0,0|0,0,1]=4 49511 B12R1.255 CC(=O)CCOCC1CCOC1 7a_100000759926_100000702531 [0,2,0,1,0,0|0,0,1]=4 49512 B12R1.255 CC(=O)NCCOC1CCCC1 11a_100000741755_100015343762 [0,2,0,1,0,0|0,0,1]=4 49513 B12R1.255 CC(=O)NCCOC1CCCC1 1626a_100000741755_100015343762 [0,2,0,1,0,0|0,0,1]=4 49514 B12R1.255 CC(=O)NCCOC1CCCC1 240690a_100000741755_100015343762 [0,2,0,1,0,0|0,0,1]=4 49515 B12R1.255 CC(=O)NCCOC1CCCC1 34a_100000158858_100000179811 [0,2,0,1,0,0|0,0,1]=4 49516 B12R1.255 CC(=O)NCCOC1CCCC1 527a_100000741755_100103153847 [0,2,0,1,0,0|0,0,1]=4 49517 B12R1.255 CC(=O)NCCOC1CCCC1 7a_100000210269_100000189650 [0,2,0,1,0,0|0,0,1]=4 49518 B12R1.255 CC(=O)OCCOC1CCCC1 34a_100000210269_100009814007 [0,2,0,1,0,0|0,0,1]=4 49519 B12R1.255 CC(=O)OCCOC1CCCC1 7a_100000210269_100009814007 [0,2,0,1,0,0|0,0,1]=4 49520 B12R1.255 CC(Br)CCOCC1CCCC1 34a_100009893172_100000740388 [0,2,0,1,0,0|0,0,0]=3 49521 B12R1.255 CC(Br)CCOCC1CCOC1 34a_100009893172_100011261433 [0,2,0,1,0,0|0,0,0]=3 49522 B12R1.255 CC(Br)CCOCC1OCCO1 34a_100009893172_100000755774 [0,2,0,1,0,0|1,0,0]=4 49523 B12R1.255 CC(Br)COCCC1CCCC1 34a_100012180447_100000760354 [0,2,0,1,0,0|1,0,0]=4 49524 B12R1.255 CC(C)CCCCN1CCCC1 2230a_100000188435_100011216152 [0,2,0,1,0,0|1,0,0]=4 49525 B12R1.255 CC(C)CCCCN1CCCC1 269982a_100000188435_100011216152 [0,2,0,1,0,0|1,0,0]=4 49526 B12R1.255 CC(C)CCCNC1CCCC1 2230a_100000211070_100011214892 [0,2,0,1,0,0|1,0,0]=4 49527 B12R1.255 CC(C)CCCNC1CCCC1 2230a_200000737386_100000179811 [0,2,0,1,0,0|1,0,0]=4 49528 B12R1.255 CC(C)CCCNC1CCCC1 270004a_200000737386_100000210133 [0,2,0,1,0,0|1,0,0]=4 49529 B12R1.255 CC(C)CCCNC1CCCC1 34a_100000211070_100011214892 [0,2,0,1,0,0|1,0,0]=4 49530 B12R1.255 CC(C)CCCNC1CCCC1 34a_200000737386_100000179811 [0,2,0,1,0,0|1,0,0]=4 49531 B12R1.255 CC(C)CCCNC1CCOC1 2230a_200000737386_100000731011 [0,2,0,1,0,0|1,0,0]=4 49532 B12R1.255 CC(C)CCCNC1CCOC1 270004a_200000737386_100000752484 [0,2,0,1,0,0|1,0,0]=4 49533 B12R1.255 CC(C)CCCNC1CCOC1 34a_200000737386_100000690089 [0,2,0,1,0,0|1,0,0]=4 49534 B12R1.255 CC(C)CCCNC1CCSC1 270004a_200000737386_100000212027 [0,2,0,1,0,0|1,0,0]=4 49535 B12R1.255 CC(C)CCCN[C@@H]1CCOC1 2230a_200015188469_100011214892 [0,2,0,1,0,0|1,0,0]=4 49536 B12R1.255 CC(C)CCCN[C@H]1CCOC1 2230a_100015188467_100011214892 [0,2,0,1,0,0|1,0,0]=4 49537 B12R1.255 CC(C)CCCN[C@H]1CCOC1 34a_100015188467_100011214892 [0,2,0,1,0,0|1,0,0]=4 49538 B12R1.255 CC(C)CCCOC1CCCC1 34a_100000210269_100011214892 [0,2,0,1,0,0|0,0,0]=3 49539 B12R1.255 CC(C)CCCOC1CCCC1 34a_100000210774_100000179811 [0,2,0,1,0,0|0,0,0]=3 49540 B12R1.255 CC(C)CCCOC1CCCC1 7a_100000210269_100011214892 [0,2,0,1,0,0|0,0,0]=3 49541 B12R1.255 CC(C)CCCOC1CCCC1 7a_100000210774_100000179811 [0,2,0,1,0,0|0,0,0]=3 49542 B12R1.255 CC(C)CCCOC1CCCO1 34a_100000085407_100011214892 [0,2,0,1,0,0|0,0,0]=3 49543 B12R1.255 CC(C)CCCOC1CCOC1 34a_100000210774_100000690089 [0,2,0,1,0,0|0,0,0]=3 49544 B12R1.255 CC(C)CCCOC1CCOC1 7a_100000210774_100000731011 [0,2,0,1,0,0|0,0,0]=3 49545 B12R1.255 CC(C)CCCOC1CCSC1 7a_100011232664_100011214892 [0,2,0,1,0,0|0,0,0]=3 49546 B12R1.255 CC(C)CCCO[C@H]1CCOC1 34a_100000717292_100011214892 [0,2,0,1,0,0|0,0,0]=3 49547 B12R1.255 CC(C)CCCSC1CCCC1 62a_100011214892_100000179811 [0,2,0,1,0,0|0,1,0]=4 49548 B12R1.255 CC(C)CCCSC1CCCC1 62a_100011217020_100011214892 [0,2,0,1,0,0|0,1,0]=4 49549 B12R1.255 CC(C)CCCSC1CCOC1 62a_100011214892_100000690089 [0,2,0,1,0,0|0,1,0]=4 49550 B12R1.255 CC(C)CCNCC1CCCC1 2230a_100000737975_100000210312 [0,2,0,1,0,0|1,0,0]=4 49551 B12R1.255 CC(C)CCNCC1CCCC1 269862a_100000210545_100000746403 [0,2,0,1,0,0|1,0,0]=4 49552 B12R1.255 CC(C)CCNCC1CCCC1 269862a_100000737975_100000185833 [0,2,0,1,0,0|1,0,0]=4 49553 B12R1.255 CC(C)CCNCC1CCCC1 34a_100000737975_100000210312 [0,2,0,1,0,0|1,0,0]=4 49554 B12R1.255 CC(C)CCNCC1CCOC1 2230a_100000737293_100000210312 [0,2,0,1,0,0|1,0,0]=4 49555 B12R1.255 CC(C)CCNCC1CCOC1 269862a_100000737293_100000185833 [0,2,0,1,0,0|1,0,0]=4 49556 B12R1.255 CC(C)CCNCC1CCOC1 34a_100000737293_100000210312 [0,2,0,1,0,0|1,0,0]=4 49557 B12R1.255 CC(C)CCNC[C@@H]1CCCO1 2230a_100020590478_100000210312 [0,2,0,1,0,0|1,0,0]=4 49558 B12R1.255 CC(C)CCNC[C@@H]1CCCO1 269862a_100020590478_100000185833 [0,2,0,1,0,0|1,0,0]=4 49559 B12R1.255 CC(C)CCNC[C@@H]1CCCO1 34a_100020590478_100000210312 [0,2,0,1,0,0|1,0,0]=4 49560 B12R1.255 CC(C)CCOCC1CC=CC1 34a_100000688395_100000210312 [0,2,0,1,0,0|0,0,1]=4 49561 B12R1.255 CC(C)CCOCC1CCCC1 34a_100000210254_100000740388 [0,2,0,1,0,0|0,0,0]=3 49562 B12R1.255 CC(C)CCOCC1CCCC1 34a_100000742336_100000210312 [0,2,0,1,0,0|0,0,0]=3 49563 B12R1.255 CC(C)CCOCC1CCCC1 7a_100000210254_100000740388 [0,2,0,1,0,0|0,0,0]=3 49564 B12R1.255 CC(C)CCOCC1CCCC1 7a_100000742336_100000210626 [0,2,0,1,0,0|0,0,0]=3 49565 B12R1.255 CC(C)CCOCC1CCCO1 34a_100000210270_100000210312 [0,2,0,1,0,0|0,0,0]=3 49566 B12R1.255 CC(C)CCOCC1CCCO1 7a_100000210254_100000203698 [0,2,0,1,0,0|0,0,0]=3 49567 B12R1.255 CC(C)CCOCC1CCCO1 7a_100000210270_100000210626 [0,2,0,1,0,0|0,0,0]=3 49568 B12R1.255 CC(C)CCOCC1CCNC1 34a_100000748654_100000210312 [0,2,0,1,0,0|0,0,0]=3 49569 B12R1.255 CC(C)CCOCC1CCOC1 34a_100000210254_100011261433 [0,2,0,1,0,0|0,0,0]=3 49570 B12R1.255 CC(C)CCOCC1CCOC1 34a_100000740260_100000210312 [0,2,0,1,0,0|0,0,0]=3 49571 B12R1.255 CC(C)CCOCC1CCOC1 7a_100000210254_100000702531 [0,2,0,1,0,0|0,0,0]=3 49572 B12R1.255 CC(C)CCOCC1COCO1 34a_100011216627_100000210312 [0,2,0,1,0,0|1,0,0]=4 49573 B12R1.255 CC(C)CCOCC1OCCO1 34a_100000087154_100000210312 [0,2,0,1,0,0|1,0,0]=4 49574 B12R1.255 CC(C)CCOCC1OCCO1 34a_100000210254_100000755774 [0,2,0,1,0,0|1,0,0]=4 49575 B12R1.255 CC(C)CCOCC1OCCO1 7a_100000210254_100000755774 [0,2,0,1,0,0|1,0,0]=4 49576 B12R1.255 CC(C)CCOC[C@H]1CCCN1 34a_100000745186_100000210312 [0,2,0,1,0,0|0,0,0]=3 49577 B12R1.255 CC(C)CCSCC1CCCC1 62a_100000210312_100000740388 [0,2,0,1,0,0|0,1,0]=4 49578 B12R1.255 CC(C)CCSCC1CCCC1 62a_100000740388_100000210312 [0,2,0,1,0,0|0,1,0]=4 49579 B12R1.255 CC(C)CCSCC1CCCO1 62a_100000203698_100000210312 [0,2,0,1,0,0|0,1,0]=4 49580 B12R1.255 CC(C)CCSCC1CCCO1 62a_100000210312_100000203698 [0,2,0,1,0,0|0,1,0]=4 49581 B12R1.255 CC(C)CCSCC1CCOC1 62a_100000210312_100000702531 [0,2,0,1,0,0|0,1,0]=4 49582 B12R1.255 CC(C)CCSCC1CCOC1 62a_100000702531_100000210312 [0,2,0,1,0,0|0,1,0]=4 49583 B12R1.255 CC(C)CNCCC1CCCC1 2230a_100000210953_100000760354 [0,2,0,1,0,0|1,0,0]=4 49584 B12R1.255 CC(C)CNCCC1CCCC1 2230a_100000739158_100000210760 [0,2,0,1,0,0|1,0,0]=4 49585 B12R1.255 CC(C)CNCCC1CCCC1 270004a_100000739158_100000210432 [0,2,0,1,0,0|1,0,0]=4 49586 B12R1.255 CC(C)CNCCC1CCCC1 34a_100000210953_100000760354 [0,2,0,1,0,0|1,0,0]=4 49587 B12R1.255 CC(C)CNCCC1CCCC1 34a_100000739158_100000210624 [0,2,0,1,0,0|1,0,0]=4 49588 B12R1.255 CC(C)CNCCN1CCCC1 270004a_100000212299_100000210432 [0,2,0,1,0,0|1,0,0]=4 49589 B12R1.255 CC(C)COCCC1CCCC1 34a_100000210257_100000760354 [0,2,0,1,0,0|1,0,0]=4 49590 B12R1.255 CC(C)COCCC1CCCC1 34a_100000749090_100000210624 [0,2,0,1,0,0|1,0,0]=4 49591 B12R1.255 CC(C)COCCC1CCCC1 7a_100000749090_100000210760 [0,2,0,1,0,0|1,0,0]=4 49592 B12R1.255 CC(C)CSCCC1CCCC1 62a_100000210624_100000760354 [0,2,0,1,0,0|1,0,0]=4 49593 B12R1.255 CC(C)CSCCC1CCCC1 62a_100000760354_100000210760 [0,2,0,1,0,0|1,0,0]=4 49594 B12R1.255 CC(C)CSCCN1CCCC1 62a_100000210624_100000004467 [0,2,0,1,0,0|1,0,0]=4 49595 B12R1.255 CC(C)CSCCN1CCCC1 62a_100000700749_100000210760 [0,2,0,1,0,0|1,0,0]=4 49596 B12R1.255 CC(C)NCCCC1CCCC1 2230a_100000736752_100000210206 [0,2,0,1,0,0|1,0,0]=4 49597 B12R1.255 CC(C)NCCCC1CCCC1 2230a_100138425928_100011713738 [0,2,0,1,0,0|1,0,0]=4 49598 B12R1.255 CC(C)NCCCC1CCCC1 34a_100000736752_100000210206 [0,2,0,1,0,0|1,0,0]=4 49599 B12R1.255 CC(C)NCCCC1CCCC1 34a_100138425928_100011713738 [0,2,0,1,0,0|1,0,0]=4 49600 B12R1.255 CC(C)NCCCN1CCCC1 2230a_100138425928_100011445909 [0,2,0,1,0,0|1,0,0]=4 49601 B12R1.255 CC(C)NCCCN1CCCC1 34a_100138425928_100016991639 [0,2,0,1,0,0|1,0,0]=4 49602 B12R1.255 CC(C)NCCOC1CCCC1 34a_100000224655_100000179811 [0,2,0,1,0,0|0,0,0]=3 49603 B12R1.255 CC(C)NCCOC1CCCC1 34a_100000741755_100000210206 [0,2,0,1,0,0|0,0,0]=3 49604 B12R1.255 CC(C)NCCOC1CCOC1 34a_100000224655_100000690089 [0,2,0,1,0,0|1,0,0]=4 49605 B12R1.255 CC(C)OCCCC1CCCC1 34a_100000212225_100011713738 [0,2,0,1,0,0|1,0,0]=4 49606 B12R1.255 CC(C)OCCCC1CCCC1 34a_100011215328_100000210206 [0,2,0,1,0,0|1,0,0]=4 49607 B12R1.255 CC(C)OCCCC1CCCC1 7a_100011215328_100000210206 [0,2,0,1,0,0|1,0,0]=4 49608 B12R1.255 CC(C)OCCCN1CCCC1 34a_100000212225_100016991639 [0,2,0,1,0,0|1,0,0]=4 49609 B12R1.255 CC(C)OCCNC1CCCC1 2230a_100000211070_100000211751 [0,2,0,1,0,0|1,0,0]=4 49610 B12R1.255 CC(C)OCCNC1CCCC1 2230a_100000701111_100000179811 [0,2,0,1,0,0|1,0,0]=4 49611 B12R1.255 CC(C)OCCNC1CCCC1 270004a_100000701111_100000210133 [0,2,0,1,0,0|1,0,0]=4 49612 B12R1.255 CC(C)OCCNC1CCCC1 34a_100000211070_100000211751 [0,2,0,1,0,0|1,0,0]=4 49613 B12R1.255 CC(C)OCCNC1CCCC1 34a_100000701111_100000179811 [0,2,0,1,0,0|1,0,0]=4 49614 B12R1.255 CC(C)OCCNC1CCCC1 34a_200000200444_100000210206 [0,2,0,1,0,0|1,0,0]=4 49615 B12R1.255 CC(C)OCCOC1CCCC1 34a_100000210269_100000211751 [0,2,0,1,0,0|0,0,0]=3 49616 B12R1.255 CC(C)OCCOC1CCCC1 34a_100000211219_100000179811 [0,2,0,1,0,0|0,0,0]=3 49617 B12R1.255 CC(C)OCCOC1CCCC1 34a_100000738311_100000210206 [0,2,0,1,0,0|0,0,0]=3 49618 B12R1.255 CC(C)OCCOC1CCCC1 7a_100000210269_100000211751 [0,2,0,1,0,0|0,0,0]=3 49619 B12R1.255 CC(C)OCCOC1CCCC1 7a_100000211219_100000179811 [0,2,0,1,0,0|0,0,0]=3 49620 B12R1.255 CC(C)OCCOC1CCCC1 7a_100000738311_100000210206 [0,2,0,1,0,0|0,0,0]=3 49621 B12R1.255 CC(C)OCCOC1CCCO1 34a_100000085407_100000211751 [0,2,0,1,0,0|1,0,0]=4 49622 B12R1.255 CC(C)OCCOC1CCOC1 34a_100000211219_100000690089 [0,2,0,1,0,0|1,0,0]=4 49623 B12R1.255 CC(C)OCCOC1CCOC1 7a_100000211219_100000731011 [0,2,0,1,0,0|1,0,0]=4 49624 B12R1.255 CC(C)OCCOC1CCSC1 7a_100011232664_100000211751 [0,2,0,1,0,0|1,0,0]=4 49625 B12R1.255 CC(C)OCCO[C@H]1CCOC1 34a_100000717292_100000211751 [0,2,0,1,0,0|1,0,0]=4 49626 B12R1.255 CC(C)OCCSC1CCCC1 62a_100000211751_100000179811 [0,2,0,1,0,0|0,1,0]=4 49627 B12R1.255 CC(C)OCCSC1CCCC1 62a_100011217020_100000211751 [0,2,0,1,0,0|0,1,0]=4 49628 B12R1.255 CC(C)OCOCC1CCCC1 34a_100000742336_100000709892 [0,2,0,1,0,0|1,0,0]=4 49629 B12R1.255 CC(C)OCOCC1CCCO1 34a_100000210270_100000709892 [0,2,0,1,0,0|1,0,0]=4 49630 B12R1.255 CC(C)OCOCC1CCNC1 34a_100000748654_100000709892 [0,2,0,1,0,0|1,0,0]=4 49631 B12R1.255 CC(C)OCOCC1CCOC1 34a_100000740260_100000709892 [0,2,0,1,0,0|1,0,0]=4 49632 B12R1.255 CC(C)OCOC[C@H]1CCCN1 34a_100000745186_100000709892 [0,2,0,1,0,0|1,0,0]=4 49633 B12R1.255 CC(C)SCCCC1CCCC1 62a_100000210206_100011713738 [0,2,0,1,0,0|1,0,0]=4 49634 B12R1.255 CC(C)SCCCC1CCCC1 62a_100011713738_100000210206 [0,2,0,1,0,0|1,0,0]=4 49635 B12R1.255 CC(C)SCCCN1CCCC1 62a_100000210206_100011445909 [0,2,0,1,0,0|1,0,0]=4 49636 B12R1.255 CC(C)SCCCN1CCCC1 62a_100016991639_100000210206 [0,2,0,1,0,0|1,0,0]=4 49637 B12R1.255 CC(C)SCCNC1CCCC1 2230a_100000211070_100000730970 [0,2,0,1,0,0|1,0,0]=4 49638 B12R1.255 CC(C)SCCNC1CCCC1 2230a_100000731138_100000179811 [0,2,0,1,0,0|1,0,0]=4 49639 B12R1.255 CC(C)SCCNC1CCCC1 270004a_100000731138_100000210133 [0,2,0,1,0,0|1,0,0]=4 49640 B12R1.255 CC(C)SCCNC1CCCC1 34a_100000211070_100000730970 [0,2,0,1,0,0|1,0,0]=4 49641 B12R1.255 CC(C)SCCNC1CCCC1 34a_100000731138_100000179811 [0,2,0,1,0,0|1,0,0]=4 49642 B12R1.255 CC(C)SCCOC1CCCC1 34a_100000210269_100000730970 [0,2,0,1,0,0|0,0,0]=3 49643 B12R1.255 CC(C)SCCOC1CCCC1 34a_200011212901_100000179811 [0,2,0,1,0,0|0,0,0]=3 49644 B12R1.255 CC(C)SCCOC1CCCC1 7a_100000210269_100000730970 [0,2,0,1,0,0|0,0,0]=3 49645 B12R1.255 CC(C)SCCOC1CCCC1 7a_200011212901_100000179811 [0,2,0,1,0,0|0,0,0]=3 49646 B12R1.255 CC(C)SCCOC1CCCO1 34a_100000085407_100000730970 [0,2,0,1,0,0|1,0,0]=4 49647 B12R1.255 CC(C)SCCOC1CCOC1 34a_200011212901_100000690089 [0,2,0,1,0,0|1,0,0]=4 49648 B12R1.255 CC(C)SCCOC1CCOC1 7a_200011212901_100000731011 [0,2,0,1,0,0|1,0,0]=4 49649 B12R1.255 CC(C)SCCOC1CCSC1 7a_100011232664_100000730970 [0,2,0,1,0,0|1,0,0]=4 49650 B12R1.255 CC(C)SCCO[C@H]1CCOC1 34a_100000717292_100000730970 [0,2,0,1,0,0|1,0,0]=4 49651 B12R1.255 CC(C)SCCSC1CCCC1 62a_100000730970_100000179811 [0,2,0,1,0,0|0,1,0]=4 49652 B12R1.255 CC(C)SCCSC1CCCC1 62a_100011217020_100000730970 [0,2,0,1,0,0|0,1,0]=4 49653 B12R1.255 CC(F)COCCC1CCCC1 34a_100015925927_100000760354 [0,2,0,1,0,0|1,0,0]=4 49654 B12R1.255 CC(O)CCCNC1CCCC1 2230a_100000211070_200000718107 [0,2,0,1,0,0|1,0,0]=4 49655 B12R1.255 CC(O)CCCNC1CCCC1 34a_100000211070_200000718107 [0,2,0,1,0,0|1,0,0]=4 49656 B12R1.255 CC(O)CCCN[C@@H]1CCOC1 2230a_200015188469_200000718107 [0,2,0,1,0,0|1,0,0]=4 49657 B12R1.255 CC(O)CCCN[C@H]1CCOC1 2230a_100015188467_200000718107 [0,2,0,1,0,0|1,0,0]=4 49658 B12R1.255 CC(O)CCCN[C@H]1CCOC1 34a_100015188467_200000718107 [0,2,0,1,0,0|1,0,0]=4 49659 B12R1.255 CC(O)CCCOC1CCCC1 34a_100000210269_200000718107 [0,2,0,1,0,0|0,0,0]=3 49660 B12R1.255 CC(O)CCCOC1CCCC1 7a_100000210269_200000718107 [0,2,0,1,0,0|0,0,0]=3 49661 B12R1.255 CC(O)CCCOC1CCCO1 34a_100000085407_200000718107 [0,2,0,1,0,0|0,0,0]=3 49662 B12R1.255 CC(O)CCCOC1CCSC1 7a_100011232664_200000718107 [0,2,0,1,0,0|0,0,0]=3 49663 B12R1.255 CC(O)CCCO[C@H]1CCOC1 34a_100000717292_200000718107 [0,2,0,1,0,0|0,0,0]=3 49664 B12R1.255 CC(O)CCCSC1CCCC1 62a_100011217020_200000718107 [0,2,0,1,0,0|0,1,0]=4 49665 B12R1.255 CC(O)CCCSC1CCCC1 62a_200000718107_100000179811 [0,2,0,1,0,0|0,1,0]=4 49666 B12R1.255 CC(O)CCCSC1CCOC1 62a_200000718107_100000690089 [0,2,0,1,0,0|0,1,0]=4 49667 B12R1.255 CC(O)CCNCC1CCCC1 2230a_100000737975_100012276601 [0,2,0,1,0,0|1,0,0]=4 49668 B12R1.255 CC(O)CCNCC1CCCC1 2230a_200000755665_100000740388 [0,2,0,1,0,0|1,0,0]=4 49669 B12R1.255 CC(O)CCNCC1CCCC1 269862a_200000755665_100000746403 [0,2,0,1,0,0|1,0,0]=4 49670 B12R1.255 CC(O)CCNCC1CCCC1 34a_100000737975_100012276601 [0,2,0,1,0,0|1,0,0]=4 49671 B12R1.255 CC(O)CCNCC1CCCO1 2230a_200000755665_100000203698 [0,2,0,1,0,0|1,0,0]=4 49672 B12R1.255 CC(O)CCNCC1CCOC1 2230a_100000737293_100012276601 [0,2,0,1,0,0|1,0,0]=4 49673 B12R1.255 CC(O)CCNCC1CCOC1 2230a_200000755665_100000702531 [0,2,0,1,0,0|1,0,0]=4 49674 B12R1.255 CC(O)CCNCC1CCOC1 34a_100000737293_100012276601 [0,2,0,1,0,0|1,0,0]=4 49675 B12R1.255 CC(O)CCNC[C@@H]1CCCO1 2230a_100020590478_100012276601 [0,2,0,1,0,0|1,0,0]=4 49676 B12R1.255 CC(O)CCNC[C@@H]1CCCO1 34a_100020590478_100012276601 [0,2,0,1,0,0|1,0,0]=4 49677 B12R1.255 CC(O)CCOCC1CC=CC1 34a_100000688395_100012276601 [0,2,0,1,0,0|0,0,1]=4 49678 B12R1.255 CC(O)CCOCC1CCCC1 34a_100000742336_100012276601 [0,2,0,1,0,0|0,0,0]=3 49679 B12R1.255 CC(O)CCOCC1CCCC1 7a_100000742336_100012276601 [0,2,0,1,0,0|0,0,0]=3 49680 B12R1.255 CC(O)CCOCC1CCCO1 34a_100000210270_100012276601 [0,2,0,1,0,0|0,0,0]=3 49681 B12R1.255 CC(O)CCOCC1CCCO1 7a_100000210270_100012276601 [0,2,0,1,0,0|0,0,0]=3 49682 B12R1.255 CC(O)CCOCC1CCNC1 34a_100000748654_100012276601 [0,2,0,1,0,0|0,0,0]=3 49683 B12R1.255 CC(O)CCOCC1CCOC1 34a_100000740260_100012276601 [0,2,0,1,0,0|0,0,0]=3 49684 B12R1.255 CC(O)CCOCC1COCO1 34a_100011216627_100012276601 [0,2,0,1,0,0|1,0,0]=4 49685 B12R1.255 CC(O)CCOCC1OCCO1 34a_100000087154_100012276601 [0,2,0,1,0,0|1,0,0]=4 49686 B12R1.255 CC(O)CCOC[C@H]1CCCN1 34a_100000745186_100012276601 [0,2,0,1,0,0|0,0,0]=3 49687 B12R1.255 CC(O)CCSCC1CCCC1 62a_100000740388_100012276601 [0,2,0,1,0,0|0,1,0]=4 49688 B12R1.255 CC(O)CCSCC1CCCC1 62a_100012276601_100000740388 [0,2,0,1,0,0|0,1,0]=4 49689 B12R1.255 CC(O)CCSCC1CCCO1 62a_100000203698_100012276601 [0,2,0,1,0,0|0,1,0]=4 49690 B12R1.255 CC(O)CCSCC1CCCO1 62a_100012276601_100000203698 [0,2,0,1,0,0|0,1,0]=4 49691 B12R1.255 CC(O)CCSCC1CCOC1 62a_100000702531_100012276601 [0,2,0,1,0,0|0,1,0]=4 49692 B12R1.255 CC(O)CCSCC1CCOC1 62a_100012276601_100000702531 [0,2,0,1,0,0|0,1,0]=4 49693 B12R1.255 CC(O)CNCCC1CCCC1 2230a_100000210904_100000760354 [0,2,0,1,0,0|1,0,0]=4 49694 B12R1.255 CC(O)CNCCC1CCCC1 2230a_100000739158_100011218427 [0,2,0,1,0,0|1,0,0]=4 49695 B12R1.255 CC(O)CNCCC1CCCC1 34a_100000210904_100000760354 [0,2,0,1,0,0|1,0,0]=4 49696 B12R1.255 CC(O)CNCCC1CCCC1 34a_100000739158_100011218427 [0,2,0,1,0,0|1,0,0]=4 49697 B12R1.255 CC(O)COCCC1CCCC1 34a_100000749090_100011218427 [0,2,0,1,0,0|1,0,0]=4 49698 B12R1.255 CC(O)COCCC1CCCC1 7a_100000749090_100011218427 [0,2,0,1,0,0|1,0,0]=4 49699 B12R1.255 CC(O)CSCCC1CCCC1 62a_100000760354_100011218427 [0,2,0,1,0,0|1,0,0]=4 49700 B12R1.255 CC(O)CSCCC1CCCC1 62a_100011218427_100000760354 [0,2,0,1,0,0|1,0,0]=4 49701 B12R1.255 CC(O)CSCCN1CCCC1 62a_100000700749_100011218427 [0,2,0,1,0,0|1,0,0]=4 49702 B12R1.255 CC(O)CSCCN1CCCC1 62a_100011218427_100000004467 [0,2,0,1,0,0|1,0,0]=4 49703 B12R1.255 CN(C)CCCCN1CCCC1 269982a_100000188435_100000690147 [0,2,0,1,0,0|1,0,0]=4 49704 B12R1.255 CN(C)CCCNC1CCCC1 270004a_102531767803_100000210133 [0,2,0,1,0,0|1,0,0]=4 49705 B12R1.255 CN(C)CCCOC1CCCC1 7a_100000210269_100000757444 [0,2,0,1,0,0|0,0,0]=3 49706 B12R1.255 CN(C)CCCOC1CCSC1 7a_100011232664_100000757444 [0,2,0,1,0,0|1,0,0]=4 49707 B12R1.255 CN(C)CCCSC1CCCC1 62a_100011217020_100000757444 [0,2,0,1,0,0|0,1,0]=4 49708 B12R1.255 CN(C)CCOCC1CCCC1 7a_100000742336_100000755713 [0,2,0,1,0,0|1,0,0]=4 49709 B12R1.255 CN(C)CCOCC1CCCO1 7a_100000210270_100000755713 [0,2,0,1,0,0|1,0,0]=4 49710 B12R1.255 CS(=O)CCCNC1CCCC1 2230a_200000753449_100000179811 [0,2,0,1,0,0|1,0,0]=4 49711 B12R1.255 CS(=O)CCCNC1CCCC1 270004a_200000753449_100000210133 [0,2,0,1,0,0|1,0,0]=4 49712 B12R1.255 C[C@@H](Cl)COCCC1CCCC1 34a_100016084084_100000760354 [0,2,0,1,0,0|1,0,0]=4 49713 B12R1.255 C[C@@H](N)CCOCC1CCCC1 34a_100000706166_100000740388 [0,2,0,1,0,0|0,0,0]=3 49714 B12R1.255 C[C@@H](N)CCOCC1CCOC1 34a_100000706166_100011261433 [0,2,0,1,0,0|0,0,0]=3 49715 B12R1.255 C[C@@H](N)CCOCC1OCCO1 34a_100000706166_100000755774 [0,2,0,1,0,0|1,0,0]=4 49716 B12R1.255 C[C@@H](N)COCCC1CCCC1 34a_100000737577_100000760354 [0,2,0,1,0,0|1,0,0]=4 49717 B12R1.255 C[C@@H](O)CNCCC1CCCC1 2230a_100000739158_100009817552 [0,2,0,1,0,0|1,0,0]=4 49718 B12R1.255 C[C@@H](O)CNCCC1CCCC1 34a_100000739158_100009817552 [0,2,0,1,0,0|1,0,0]=4 49719 B12R1.255 C[C@@H](O)COCCC1CCCC1 34a_100000749090_100009817552 [0,2,0,1,0,0|1,0,0]=4 49720 B12R1.255 C[C@@H](O)COCCC1CCCC1 7a_100000749090_100009817552 [0,2,0,1,0,0|1,0,0]=4 49721 B12R1.255 C[C@@H](O)CSCCC1CCCC1 62a_100000760354_100009817552 [0,2,0,1,0,0|1,0,0]=4 49722 B12R1.255 C[C@@H](O)CSCCC1CCCC1 62a_100009817552_100000760354 [0,2,0,1,0,0|1,0,0]=4 49723 B12R1.255 C[C@@H](O)CSCCN1CCCC1 62a_100000700749_100009817552 [0,2,0,1,0,0|1,0,0]=4 49724 B12R1.255 C[C@@H](O)CSCCN1CCCC1 62a_100009817552_100000004467 [0,2,0,1,0,0|1,0,0]=4 49725 B12R1.255 FC(F)CCOCC1CCCC1 34a_100103093639_100000740388 [0,2,0,1,0,0|1,0,0]=4 49726 B12R1.255 FC(F)CCOCC1CCOC1 34a_100103093639_100011261433 [0,2,0,1,0,0|1,0,0]=4 49727 B12R1.255 NC(=O)CCCOC1CCCC1 34a_100000210269_100102525003 [0,2,0,1,0,0|0,0,1]=4 49728 B12R1.255 NC(=O)CCCOC1CCCC1 7a_100000210269_100102525003 [0,2,0,1,0,0|0,0,1]=4 49729 B12R1.255 O=[N+]([O-])CCCOC1CCCC1 34a_200000037920_100000179811 [0,2,0,1,0,0|1,0,0]=4 49730 B12R1.317 CCCC(C)N1CCCC1(C)C 2230a_100000761399_100000766640 [0,2,0,1,0,0|1,0,0]=4 49731 B12R1.317 CCCC(C)N1CCCC1(C)C 269982a_100000761399_100000766640 [0,2,0,1,0,0|1,0,0]=4 49732 B12R1.317 CCCC(C)N1CCCC1(C)C 270004a_100000761399_100000211909 [0,2,0,1,0,0|1,0,0]=4 49733 B12R1.317 CCCC(C)N1CCCC1(C)C 34a_100000761399_100000766640 [0,2,0,1,0,0|1,0,0]=4 49734 B12R1.1356 C=C(C)CCOC[C@H](N)C1CC1 34a_100020623730_100000730704 [0,2,0,1,0,0|0,0,1]=4 49735 B12R1.1356 CC(=O)CCCOC(C)C1CC1 34a_100000744524_100000685027 [0,2,0,1,0,0|0,0,1]=4 49736 B12R1.1356 CC(=O)CCCOC(C)C1CC1 7a_100000744524_100011215641 [0,2,0,1,0,0|0,0,1]=4 49737 B12R1.1356 CC(Br)CCOCC(=O)C1CC1 34a_100009893172_100000746382 [0,2,0,1,0,0|0,0,1]=4 49738 B12R1.1356 CC(C)CCCNC(C)C1CC1 2230a_100000700016_100011214892 [0,2,0,1,0,0|1,0,0]=4 49739 B12R1.1356 CC(C)CCCNC(C)C1CC1 269862a_200000737386_100000210639 [0,2,0,1,0,0|1,0,0]=4 49740 B12R1.1356 CC(C)CCCNC(C)C1CC1 34a_100000700016_100011214892 [0,2,0,1,0,0|1,0,0]=4 49741 B12R1.1356 CC(C)CCCOC(C)C1CC1 34a_100000744524_100011214892 [0,2,0,1,0,0|0,0,0]=3 49742 B12R1.1356 CC(C)CCCOC(C)C1CC1 7a_100000744524_100011214892 [0,2,0,1,0,0|0,0,0]=3 49743 B12R1.1356 CC(C)CCNCC(O)C1CC1 2230a_100000751198_100000210312 [0,2,0,1,0,0|1,0,0]=4 49744 B12R1.1356 CC(C)CCNCC(O)C1CC1 34a_100000751198_100000210312 [0,2,0,1,0,0|1,0,0]=4 49745 B12R1.1356 CC(C)CCOCC(=O)C1CC1 34a_100000210254_100000746382 [0,2,0,1,0,0|0,0,1]=4 49746 B12R1.1356 CC(C)CCOCC(=O)C1CC1 34a_100000686663_100000210312 [0,2,0,1,0,0|0,0,1]=4 49747 B12R1.1356 CC(C)CCOCC(=O)C1CC1 7a_100000210254_100000746382 [0,2,0,1,0,0|0,0,1]=4 49748 B12R1.1356 CC(C)CCOC[C@H](N)C1CC1 34a_100020623730_100000210312 [0,2,0,1,0,0|0,0,0]=3 49749 B12R1.1356 CC(C)OCCOC(C)C1CC1 34a_100000744524_100000211751 [0,2,0,1,0,0|1,0,0]=4 49750 B12R1.1356 CC(C)OCCOC(C)C1CC1 7a_100000744524_100000211751 [0,2,0,1,0,0|1,0,0]=4 49751 B12R1.1356 CC(C)OCOC[C@H](N)C1CC1 34a_100020623730_100000709892 [0,2,0,1,0,0|1,0,0]=4 49752 B12R1.1356 CC(C)SCCOC(C)C1CC1 34a_100000744524_100000730970 [0,2,0,1,0,0|1,0,0]=4 49753 B12R1.1356 CC(C)SCCOC(C)C1CC1 7a_100000744524_100000730970 [0,2,0,1,0,0|1,0,0]=4 49754 B12R1.1356 CC(O)CCCNC(C)C1CC1 2230a_100000700016_200000718107 [0,2,0,1,0,0|1,0,0]=4 49755 B12R1.1356 CC(O)CCCNC(C)C1CC1 34a_100000700016_200000718107 [0,2,0,1,0,0|1,0,0]=4 49756 B12R1.1356 CC(O)CCCOC(C)C1CC1 34a_100000744524_200000718107 [0,2,0,1,0,0|0,0,0]=3 49757 B12R1.1356 CC(O)CCCOC(C)C1CC1 7a_100000744524_200000718107 [0,2,0,1,0,0|0,0,0]=3 49758 B12R1.1356 CC(O)CCNCC(O)C1CC1 2230a_100000751198_100012276601 [0,2,0,1,0,0|1,0,0]=4 49759 B12R1.1356 CC(O)CCNCC(O)C1CC1 34a_100000751198_100012276601 [0,2,0,1,0,0|1,0,0]=4 49760 B12R1.1356 CC(O)CCOCC(=O)C1CC1 34a_100000686663_100012276601 [0,2,0,1,0,0|0,0,1]=4 49761 B12R1.1356 CC(O)CCOC[C@H](N)C1CC1 34a_100020623730_100012276601 [0,2,0,1,0,0|0,0,0]=3 49762 B12R1.1356 CC(OCCCN(C)C)C1CC1 7a_100000744524_100000757444 [0,2,0,1,0,0|1,0,0]=4 49763 B12R1.1356 C[C@@H](N)CCOCC(=O)C1CC1 34a_100000706166_100000746382 [0,2,0,1,0,0|0,0,1]=4 49764 B12R1.1572 CC(CCO)OCC1CC1(C)C 34a_100000728257_100009893172 [0,2,0,1,0,0|1,0,0]=4 49765 B12R1.1572 CC(CCO)OCC1CC1(C)C 7a_100000728257_100009893172 [0,2,0,1,0,0|1,0,0]=4 49766 B12R1.1572 CCCC(C)OCC1CC1(C)C 34a_100000728257_100000766640 [0,2,0,1,0,0|0,0,0]=3 49767 B12R1.1572 CCCC(C)OCC1CC1(C)C 7a_100000728257_100000766640 [0,2,0,1,0,0|0,0,0]=3 49768 B12R1.1572 CCCC(C)OCC1CC1(F)F 34a_100000056500_100000766640 [0,2,0,1,0,0|1,0,0]=4 49769 B12R1.1572 CCCC(C)OCC1CC1(F)F 34a_100000764384_100009817841 [0,2,0,1,0,0|1,0,0]=4 49770 B12R1.1572 CCCC(C)OCC1CC1(F)F 7a_100000056500_100000766640 [0,2,0,1,0,0|1,0,0]=4 49771 B12R1.1572 CCCC(C)OCC1CC1(F)F 7a_100000764384_100009817841 [0,2,0,1,0,0|1,0,0]=4 49772 B12R1.1572 CCCC(C)OCC1OC1(C)C 34a_200010283642_100000766640 [0,2,0,1,0,0|1,0,0]=4 49773 B12R1.1572 CCCC(C)OCC1OC1(C)C 7a_200010283642_100000766640 [0,2,0,1,0,0|1,0,0]=4 49774 B12R1.1572 COCC(C)OCC1CC1(C)C 34a_100000728257_100000765312 [0,2,0,1,0,0|1,0,0]=4 49775 B12R1.1572 COCC(C)OCC1CC1(C)C 7a_100000728257_100000765312 [0,2,0,1,0,0|1,0,0]=4 49776 B12R1.2795 C=C(C)CCOCC1(CCC1)C 34a_100000764851_100000726658 [0,2,0,1,0,0|0,0,1]=4 49777 B12R1.2795 CC(=O)CCCOC1(CCC1)C 34a_100000759064_100000685027 [0,2,0,1,0,0|0,0,1]=4 49778 B12R1.2795 CC(=O)CCCOC1(CCC1)C 7a_100000759064_100011215641 [0,2,0,1,0,0|0,0,1]=4 49779 B12R1.2795 CC(=O)CCOCC1(CCC1)C 34a_100000759926_100000726658 [0,2,0,1,0,0|0,0,1]=4 49780 B12R1.2795 CC(=O)CCOCC1(CCC1)C 7a_100000759926_100000726658 [0,2,0,1,0,0|0,0,1]=4 49781 B12R1.2795 CC(Br)CCOCC1(CCC1)C 34a_100009893172_100000726658 [0,2,0,1,0,0|0,0,0]=3 49782 B12R1.2795 CC(Br)CCOCC1(COC1)C 34a_100009893172_100009817586 [0,2,0,1,0,0|1,0,0]=4 49783 B12R1.2795 CC(C)CCCNC1(CCC1)C 2230a_100000692455_100011214892 [0,2,0,1,0,0|1,0,0]=4 49784 B12R1.2795 CC(C)CCCNC1(CCC1)C 34a_100000692455_100011214892 [0,2,0,1,0,0|1,0,0]=4 49785 B12R1.2795 CC(C)CCCOC1(CCC1)C 34a_100000759064_100011214892 [0,2,0,1,0,0|0,0,0]=3 49786 B12R1.2795 CC(C)CCCOC1(CCC1)C 7a_100000759064_100011214892 [0,2,0,1,0,0|0,0,0]=3 49787 B12R1.2795 CC(C)CCCOC1(CSC1)C 7a_100016018533_100011214892 [0,2,0,1,0,0|1,0,0]=4 49788 B12R1.2795 CC(C)CCNCC1(CCC1)C 2230a_100000706607_100000210312 [0,2,0,1,0,0|1,0,0]=4 49789 B12R1.2795 CC(C)CCNCC1(CCC1)C 269862a_100000706607_100000185833 [0,2,0,1,0,0|1,0,0]=4 49790 B12R1.2795 CC(C)CCNCC1(CCC1)O 2230a_100000752638_100000210312 [0,2,0,1,0,0|1,0,0]=4 49791 B12R1.2795 CC(C)CCNCC1(CCC1)O 269862a_100000752638_100000185833 [0,2,0,1,0,0|1,0,0]=4 49792 B12R1.2795 CC(C)CCOCC1(CCC1)C 34a_100000210254_100000726658 [0,2,0,1,0,0|0,0,0]=3 49793 B12R1.2795 CC(C)CCOCC1(CCC1)C 7a_100000210254_100000726658 [0,2,0,1,0,0|0,0,0]=3 49794 B12R1.2795 CC(C)CCOCC1(COC1)C 34a_100000210254_100009817586 [0,2,0,1,0,0|1,0,0]=4 49795 B12R1.2795 CC(C)CCOCC1(COC1)C 7a_100000210254_100009817586 [0,2,0,1,0,0|1,0,0]=4 49796 B12R1.2795 CC(C)CCOCC1(CSC1)C 34a_100000732658_100000210312 [0,2,0,1,0,0|1,0,0]=4 49797 B12R1.2795 CC(C)CCOCC1(CSC1)C 7a_100000732658_100000210626 [0,2,0,1,0,0|1,0,0]=4 49798 B12R1.2795 CC(C)CCSCC1(CCC1)C 62a_100000210312_100000726658 [0,2,0,1,0,0|0,1,0]=4 49799 B12R1.2795 CC(C)CCSCC1(CCC1)C 62a_100000726658_100000210312 [0,2,0,1,0,0|0,1,0]=4 49800 B12R1.2795 CC(C)OCCOC1(CCC1)C 34a_100000759064_100000211751 [0,2,0,1,0,0|1,0,0]=4 49801 B12R1.2795 CC(C)OCCOC1(CCC1)C 7a_100000759064_100000211751 [0,2,0,1,0,0|1,0,0]=4 49802 B12R1.2795 CC(C)SCCOC1(CCC1)C 34a_100000759064_100000730970 [0,2,0,1,0,0|1,0,0]=4 49803 B12R1.2795 CC(C)SCCOC1(CCC1)C 7a_100000759064_100000730970 [0,2,0,1,0,0|1,0,0]=4 49804 B12R1.2795 CC(O)CCCNC1(CCC1)C 2230a_100000692455_200000718107 [0,2,0,1,0,0|1,0,0]=4 49805 B12R1.2795 CC(O)CCCNC1(CCC1)C 34a_100000692455_200000718107 [0,2,0,1,0,0|1,0,0]=4 49806 B12R1.2795 CC(O)CCCOC1(CCC1)C 34a_100000759064_200000718107 [0,2,0,1,0,0|0,0,0]=3 49807 B12R1.2795 CC(O)CCCOC1(CCC1)C 7a_100000759064_200000718107 [0,2,0,1,0,0|0,0,0]=3 49808 B12R1.2795 CC(O)CCCOC1(CSC1)C 7a_100016018533_200000718107 [0,2,0,1,0,0|1,0,0]=4 49809 B12R1.2795 CC(O)CCNCC1(CCC1)C 2230a_100000706607_100012276601 [0,2,0,1,0,0|1,0,0]=4 49810 B12R1.2795 CC(O)CCNCC1(CCC1)C 2230a_200000755665_100000726658 [0,2,0,1,0,0|1,0,0]=4 49811 B12R1.2795 CC(O)CCNCC1(CCC1)O 2230a_100000752638_100012276601 [0,2,0,1,0,0|1,0,0]=4 49812 B12R1.2795 CC(O)CCOCC1(CSC1)C 34a_100000732658_100012276601 [0,2,0,1,0,0|1,0,0]=4 49813 B12R1.2795 CC(O)CCOCC1(CSC1)C 7a_100000732658_100012276601 [0,2,0,1,0,0|1,0,0]=4 49814 B12R1.2795 CC(O)CCSCC1(CCC1)C 62a_100000726658_100012276601 [0,2,0,1,0,0|0,1,0]=4 49815 B12R1.2795 CC(O)CCSCC1(CCC1)C 62a_100012276601_100000726658 [0,2,0,1,0,0|0,1,0]=4 49816 B12R1.2795 CC1(CCC1)COCCC(F)F 34a_100103093639_100000726658 [0,2,0,1,0,0|1,0,0]=4 49817 B12R1.2795 CN(C)CCCOC1(CCC1)C 7a_100000759064_100000757444 [0,2,0,1,0,0|1,0,0]=4 49818 B12R1.2795 C[C@@H](N)CCOCC1(CCC1)C 34a_100000706166_100000726658 [0,2,0,1,0,0|0,0,0]=3 49819 B12R1.2795 C[C@@H](N)CCOCC1(COC1)C 34a_100000706166_100009817586 [0,2,0,1,0,0|1,0,0]=4 49820 B12R1.459 CC1(CCCC1OCCCF)C 34a_100000726220_100011934791 [0,2,0,1,0,0|1,0,0]=4 49821 B12R1.459 CC1(CCCC1OCCCF)C 7a_100000726220_100011934791 [0,2,0,1,0,0|1,0,0]=4 49822 B12R1.459 CC1(CCCC1OCCCO)C 34a_100000726220_100000230001 [0,2,0,1,0,0|1,0,0]=4 49823 B12R1.459 CC1(CCCC1OCCCO)C 7a_100000726220_100011215043 [0,2,0,1,0,0|1,0,0]=4 49824 B12R1.459 CC1(CCCN1CCCCF)C 2230a_100000761399_100000729493 [0,2,0,1,0,0|1,0,0]=4 49825 B12R1.459 CC1(CCCN1CCCCF)C 269982a_100000761399_100000729493 [0,2,0,1,0,0|1,0,0]=4 49826 B12R1.459 CC1(CCCN1CCCCF)C 34a_100000761399_100000729493 [0,2,0,1,0,0|1,0,0]=4 49827 B12R1.459 CC1(CCCN1CCCCO)C 2230a_100000761399_100000210776 [0,2,0,1,0,0|1,0,0]=4 49828 B12R1.459 CC1(CCCN1CCCCO)C 269982a_100000761399_100000210776 [0,2,0,1,0,0|1,0,0]=4 49829 B12R1.459 CC1(CCCN1CCCCO)C 34a_100000761399_100011216708 [0,2,0,1,0,0|1,0,0]=4 49830 B12R1.459 CCCCCN1CCCC1(C)C 2230a_100000761399_100000210326 [0,2,0,1,0,0|1,0,0]=4 49831 B12R1.459 CCCCCN1CCCC1(C)C 269982a_100000761399_100000210215 [0,2,0,1,0,0|1,0,0]=4 49832 B12R1.459 CCCCCN1CCCC1(C)C 34a_100000761399_100000718602 [0,2,0,1,0,0|1,0,0]=4 49833 B12R1.459 CCCCCN1CCSC1(C)C 2230a_100011217261_100000210326 [0,2,0,1,0,0|1,0,0]=4 49834 B12R1.459 CCCCCN1CCSC1(C)C 269982a_100011217261_100000210215 [0,2,0,1,0,0|1,0,0]=4 49835 B12R1.459 CCCCCN1CCSC1(C)C 34a_100011217261_100000718602 [0,2,0,1,0,0|1,0,0]=4 49836 B12R1.459 CCCCCN1COCC1(C)C 2230a_100000043020_100000210326 [0,2,0,1,0,0|1,0,0]=4 49837 B12R1.459 CCCCCN1COCC1(C)C 269982a_100000043020_100000210215 [0,2,0,1,0,0|1,0,0]=4 49838 B12R1.459 CCCCNC1CCCC1(C)C 269862a_100000102301_100000065263 [0,2,0,1,0,0|1,0,0]=4 49839 B12R1.459 CCCCNC1CCCC1(F)F 2230a_100000767123_100000210211 [0,2,0,1,0,0|1,0,0]=4 49840 B12R1.459 CCCCNC1CCCC1(F)F 34a_100000767123_100000210210 [0,2,0,1,0,0|1,0,0]=4 49841 B12R1.459 CCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210211 [0,2,0,1,0,0|1,0,0]=4 49842 B12R1.459 CCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210210 [0,2,0,1,0,0|1,0,0]=4 49843 B12R1.459 CCCCOC1CCCC1(C)C 34a_100000726220_100000210210 [0,2,0,1,0,0|0,0,0]=3 49844 B12R1.459 CCCCOC1CCCC1(C)C 7a_100000726220_100000210211 [0,2,0,1,0,0|0,0,0]=3 49845 B12R1.459 CCCCOC1CCCC1(F)F 34a_100000210227_100119073726 [0,2,0,1,0,0|0,0,0]=3 49846 B12R1.459 CCCCSC1CCCC1(F)F 62a_100000210211_100119073726 [0,2,0,1,0,0|0,1,0]=4 49847 B12R1.459 CCCCSC1CCCC1(F)F 62a_100119073726_100000210210 [0,2,0,1,0,0|0,1,0]=4 49848 B12R1.459 CCNCCN1CCCC1(C)C 2230a_100015204988_100000210202 [0,2,0,1,0,0|1,0,0]=4 49849 B12R1.459 CCOCCN1CCCC1(C)C 2230a_100000761399_100011215890 [0,2,0,1,0,0|1,0,0]=4 49850 B12R1.459 CCOCCN1CCCC1(C)C 269982a_100000761399_100011215890 [0,2,0,1,0,0|1,0,0]=4 49851 B12R1.459 CCOCCN1CCCC1(C)C 34a_100000761399_100000210147 [0,2,0,1,0,0|1,0,0]=4 49852 B12R1.459 CCSCCN1CCCC1(C)C 2230a_100000761399_100000757381 [0,2,0,1,0,0|1,0,0]=4 49853 B12R1.459 CCSCCN1CCCC1(C)C 269982a_100000761399_100000757381 [0,2,0,1,0,0|1,0,0]=4 49854 B12R1.459 CCSCCN1CCCC1(C)C 34a_100000761399_100000757381 [0,2,0,1,0,0|1,0,0]=4 49855 B12R1.459 COCCCN1CCCC1(C)C 2230a_100000761399_100000740836 [0,2,0,1,0,0|1,0,0]=4 49856 B12R1.459 COCCCN1CCCC1(C)C 269982a_100000761399_100000740836 [0,2,0,1,0,0|1,0,0]=4 49857 B12R1.459 COCCCN1CCCC1(C)C 34a_100000761399_100000740836 [0,2,0,1,0,0|1,0,0]=4 49858 B12R1.459 COCCOC1CCCC1(C)C 34a_100000726220_100011201679 [0,2,0,1,0,0|1,0,0]=4 49859 B12R1.459 COCCOC1CCCC1(C)C 7a_100000726220_100000233755 [0,2,0,1,0,0|1,0,0]=4 49860 B12R1.459 COCCOC1CCCC1(F)F 34a_100000210237_100119073726 [0,2,0,1,0,0|1,0,0]=4 49861 B12R1.459 CSCCOC1CCCC1(C)C 34a_100000726220_100000212216 [0,2,0,1,0,0|1,0,0]=4 49862 B12R1.459 CSCCOC1CCCC1(C)C 7a_100000726220_100000212216 [0,2,0,1,0,0|1,0,0]=4 49863 B12R1.459 CSCCOC1CCCC1(F)F 34a_100000230434_100119073726 [0,2,0,1,0,0|1,0,0]=4 49864 B12R1.459 FC1(CCCC1OCCCBr)F 34a_100011217188_100119073726 [0,2,0,1,0,0|1,0,0]=4 49865 B12R1.459 FC1(CCCC1OCCCCl)F 34a_100000230001_100119073726 [0,2,0,1,0,0|1,0,0]=4 49866 B12R1.459 FCCCOC1CCCC1(F)F 34a_100000759539_100119073726 [0,2,0,1,0,0|1,0,0]=4 49867 B12R1.459 NCCCOC1CCCC1(F)F 34a_100000182051_100119073726 [0,2,0,1,0,0|1,0,0]=4 49868 B12R1.515 CC(C)(CCBr)OCC1CCC1 7a_100000702414_100000763275 [0,2,0,1,0,0|1,0,0]=4 49869 B12R1.515 CCCC(C)(C)COC1COC1 7a_100011995695_100009818527 [0,2,0,1,0,0|1,0,0]=4 49870 B12R1.515 CCCC(C)(C)OCC1CCC1 7a_100000748436_100000763275 [0,2,0,1,0,0|0,0,0]=3 49871 B12R1.515 CCCC(C)(C)OCC1CCO1 7a_100000748436_100000103362 [0,2,0,1,0,0|1,0,0]=4 49872 B12R1.515 CCCC(C)(C)OCC1COC1 7a_100000748436_100010264016 [0,2,0,1,0,0|1,0,0]=4 49873 B12R1.516 CC(C)(CCBr)OCCC1CC1 7a_100000702414_100000764125 [0,2,0,1,0,0|1,0,0]=4 49874 B12R1.516 CCCC(C)(C)COCC1CC1 7a_100011995695_100000742324 [0,2,0,1,0,0|0,0,0]=3 49875 B12R1.516 CCCC(C)(C)COCC1CO1 7a_100011995695_102125554688 [0,2,0,1,0,0|1,0,0]=4 49876 B12R1.516 CCCC(C)(C)COCC1CS1 7a_100011995695_100000031435 [0,2,0,1,0,0|1,0,0]=4 49877 B12R1.516 CCCC(C)(C)COC[C@@H]1CO1 7a_100011995695_100000745022 [0,2,0,1,0,0|1,0,0]=4 49878 B12R1.516 CCCC(C)(C)OCCC1CC1 7a_100000748436_100000764125 [0,2,0,1,0,0|0,0,0]=3 49879 B12R1.516 CCCC(C)(C)OCCC1CO1 7a_100000748436_100000732470 [0,2,0,1,0,0|1,0,0]=4 49880 B12R1.516 CCNC(C)(C)COCC1CC1 7a_100000747347_100000742324 [0,2,0,1,0,0|1,0,0]=4 49881 B12R1.887 CCCCN1CCCC(C1)(C)C 2230a_100000716857_100000210211 [0,2,0,1,0,0|1,0,0]=4 49882 B12R1.887 CCCCN1CCCC(C1)(C)C 269982a_100000716857_100000210211 [0,2,0,1,0,0|1,0,0]=4 49883 B12R1.887 CCCCN1CCCC(C1)(C)C 34a_100000716857_100000210210 [0,2,0,1,0,0|1,0,0]=4 49884 B12R1.887 CCCCN1CCCC(C1)(C)O 2230a_100000695535_100000210211 [0,2,0,1,0,0|1,0,0]=4 49885 B12R1.887 CCCCN1CCCC(C1)(C)O 269982a_100000695535_100000210211 [0,2,0,1,0,0|1,0,0]=4 49886 B12R1.887 CCCCN1CCCC(C1)(F)F 2230a_100000732682_100000210211 [0,2,0,1,0,0|1,0,0]=4 49887 B12R1.887 CCCCN1CCCC(C1)(F)F 269982a_100000732682_100000210211 [0,2,0,1,0,0|1,0,0]=4 49888 B12R1.887 CCCCN1CCCC(C1)(F)F 34a_100000732682_100000210210 [0,2,0,1,0,0|1,0,0]=4 49889 B12R1.1422 CCCCCNC(C)(C)C1CC1 2230a_100000695267_100000210326 [0,2,0,1,0,0|1,0,0]=4 49890 B12R1.1503 CC(C)(CCBr)OC1CCCC1 7a_100000702414_100000179811 [0,2,0,1,0,0|1,0,0]=4 49891 B12R1.1503 CCCC(C)(C)OC1CCCC1 7a_100000748436_100000179811 [0,2,0,1,0,0|0,0,0]=3 49892 B12R1.1503 CCCC(C)(C)OC1CCOC1 7a_100000748436_100000731011 [0,2,0,1,0,0|1,0,0]=4 49893 B12R1.105 C=C(C)CCOC1CCC(C1)C 34a_100000698185_100000730704 [0,2,0,1,0,0|0,0,1]=4 49894 B12R1.105 CC(C)CCCN1CCC(C1)O 2230a_100011215560_100011214892 [0,2,0,1,0,0|1,0,0]=4 49895 B12R1.105 CC(C)CCCN1CCC(C1)O 269982a_100011215560_100011214892 [0,2,0,1,0,0|1,0,0]=4 49896 B12R1.105 CC(C)CCCN1CC[C@@H](C1)F 2230a_100015203821_100011214892 [0,2,0,1,0,0|1,0,0]=4 49897 B12R1.105 CC(C)CCCN1CC[C@@H](C1)F 269982a_100015203821_100011214892 [0,2,0,1,0,0|1,0,0]=4 49898 B12R1.105 CC(C)CCCN1CC[C@@H](C1)F 34a_100015203821_100011214892 [0,2,0,1,0,0|1,0,0]=4 49899 B12R1.105 CC(C)CCCN1CC[C@H](C1)C 2230a_100016987628_100011214892 [0,2,0,1,0,0|1,0,0]=4 49900 B12R1.105 CC(C)CCCN1CC[C@H](C1)C 269982a_100016987628_100011214892 [0,2,0,1,0,0|1,0,0]=4 49901 B12R1.105 CC(C)CCCN1CC[C@H](C1)C 34a_100016987628_100011214892 [0,2,0,1,0,0|1,0,0]=4 49902 B12R1.105 CC(C)CCNC1CCC(C1)C 270004a_100000210545_100011215218 [0,2,0,1,0,0|1,0,0]=4 49903 B12R1.105 CC(C)CCNC1CCC(C1)O 270004a_100000210545_100012614533 [0,2,0,1,0,0|1,0,0]=4 49904 B12R1.105 CC(C)CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210312 [0,2,0,1,0,0|1,0,0]=4 49905 B12R1.105 CC(C)CCN[C@H]1CC[C@H](C1)O 269862a_100015195300_100000185833 [0,2,0,1,0,0|1,0,0]=4 49906 B12R1.105 CC(C)CCOC1CCC(=O)C1 34a_100012614533_100000210312 [0,2,0,1,0,0|0,0,1]=4 49907 B12R1.105 CC(C)CCOC1CCC(C1)C 34a_100000698185_100000210312 [0,2,0,1,0,0|0,0,0]=3 49908 B12R1.105 CC(C)CCOC1CCN(C1)C 7a_100000210254_200012183744 [0,2,0,1,0,0|1,0,0]=4 49909 B12R1.105 CC(O)CCCN1CCC(C1)O 2230a_100011215560_200000718107 [0,2,0,1,0,0|1,0,0]=4 49910 B12R1.105 CC(O)CCCN1CCC(C1)O 269982a_100011215560_200000718107 [0,2,0,1,0,0|1,0,0]=4 49911 B12R1.105 CC(O)CCCN1CC[C@@H](C1)F 2230a_100015203821_200000718107 [0,2,0,1,0,0|1,0,0]=4 49912 B12R1.105 CC(O)CCCN1CC[C@@H](C1)F 269982a_100015203821_200000718107 [0,2,0,1,0,0|1,0,0]=4 49913 B12R1.105 CC(O)CCCN1CC[C@@H](C1)F 34a_100015203821_200000718107 [0,2,0,1,0,0|1,0,0]=4 49914 B12R1.105 CC(O)CCCN1CC[C@H](C1)C 2230a_100016987628_200000718107 [0,2,0,1,0,0|1,0,0]=4 49915 B12R1.105 CC(O)CCCN1CC[C@H](C1)C 269982a_100016987628_200000718107 [0,2,0,1,0,0|1,0,0]=4 49916 B12R1.105 CC(O)CCCN1CC[C@H](C1)C 34a_100016987628_200000718107 [0,2,0,1,0,0|1,0,0]=4 49917 B12R1.105 CC(O)CCNC1CCC(C1)C 270004a_200000755665_100011215218 [0,2,0,1,0,0|1,0,0]=4 49918 B12R1.105 CC(O)CCNC1CCC(C1)O 270004a_200000755665_100012614533 [0,2,0,1,0,0|1,0,0]=4 49919 B12R1.105 CC(O)CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100012276601 [0,2,0,1,0,0|1,0,0]=4 49920 B12R1.105 CC(O)CCOC1CCC(=O)C1 34a_100012614533_100012276601 [0,2,0,1,0,0|0,0,1]=4 49921 B12R1.105 CC(O)CCOC1CCC(C1)C 34a_100000698185_100012276601 [0,2,0,1,0,0|0,0,0]=3 49922 B12R1.105 CC1CCC(C1)OCOC(C)C 34a_100000698185_100000709892 [0,2,0,1,0,0|1,0,0]=4 49923 B12R1.143 CC(=CCCOCC1CC1C)C 34a_100000744939_100011217483 [0,2,0,1,0,0|0,0,1]=4 49924 B12R1.143 CC(=CCCOCC1CC1C)C 7a_100000744939_100011217483 [0,2,0,1,0,0|0,0,1]=4 49925 B12R1.143 CC(=O)CCCOCC1CC1C 34a_100000744939_100000685027 [0,2,0,1,0,0|0,0,0]=3 49926 B12R1.143 CC(=O)CCCOCC1CC1C 7a_100000744939_100011215641 [0,2,0,1,0,0|0,0,0]=3 49927 B12R1.143 CC(=O)NCCOCC1CC1C 7a_100000744939_100000189650 [0,2,0,1,0,0|0,0,1]=4 49928 B12R1.143 CC(=O)OCCOCC1CC1C 34a_100000744939_100009814007 [0,2,0,1,0,0|0,0,1]=4 49929 B12R1.143 CC(=O)OCCOCC1CC1C 7a_100000744939_100009814007 [0,2,0,1,0,0|0,0,1]=4 49930 B12R1.143 CC(C)CCCOCC1CC1C 34a_100000744939_100011214892 [0,2,0,1,0,0|0,0,0]=3 49931 B12R1.143 CC(C)CCCOCC1CC1C 7a_100000744939_100011214892 [0,2,0,1,0,0|0,0,0]=3 49932 B12R1.143 CC(C)OCCOCC1CC1C 34a_100000744939_100000211751 [0,2,0,1,0,0|0,0,0]=3 49933 B12R1.143 CC(C)OCCOCC1CC1C 7a_100000744939_100000211751 [0,2,0,1,0,0|0,0,0]=3 49934 B12R1.143 CC(C)SCCOCC1CC1C 34a_100000744939_100000730970 [0,2,0,1,0,0|0,0,0]=3 49935 B12R1.143 CC(C)SCCOCC1CC1C 7a_100000744939_100000730970 [0,2,0,1,0,0|0,0,0]=3 49936 B12R1.143 CC(O)CCCOCC1CC1C 34a_100000744939_200000718107 [0,2,0,1,0,0|0,0,0]=3 49937 B12R1.143 CC(O)CCCOCC1CC1C 7a_100000744939_200000718107 [0,2,0,1,0,0|0,0,0]=3 49938 B12R1.143 CC1CC1COCCCC(=O)N 34a_100000744939_100102525003 [0,2,0,1,0,0|0,0,1]=4 49939 B12R1.143 CC1CC1COCCCC(=O)N 7a_100000744939_100102525003 [0,2,0,1,0,0|0,0,1]=4 49940 B12R1.143 CC1CC1COCCCN(C)C 7a_100000744939_100000757444 [0,2,0,1,0,0|0,0,0]=3 49941 B12R1.261 CC(C)[C@H]1COCCN1C(C)C 2230a_100025712635_100000210206 [0,2,0,1,0,0|1,0,0]=4 49942 B12R1.261 CC(C)[C@H]1COCCN1C(C)C 269982a_100025712635_100000210206 [0,2,0,1,0,0|1,0,0]=4 49943 B12R1.261 CC(C)[C@H]1COCCN1C(C)C 34a_100025712635_100000210206 [0,2,0,1,0,0|1,0,0]=4 49944 B12R1.390 C=C(C)CCOCCCC1CO1 34a_100000764851_100000733510 [0,2,0,1,0,0|0,0,1]=4 49945 B12R1.390 C=C(C)CCOCCNC1CC1 34a_100000738766_100000730704 [0,2,0,1,0,0|0,0,1]=4 49946 B12R1.390 CC(=CCCOCCC1CC1)C 34a_100000754188_100011217483 [0,2,0,1,0,0|0,0,1]=4 49947 B12R1.390 CC(=CCCOCCC1CC1)C 7a_100000754188_100011217483 [0,2,0,1,0,0|0,0,1]=4 49948 B12R1.390 CC(=O)CCCCNCC1CC1 34a_100000735609_100009817362 [0,2,0,1,0,0|1,0,0]=4 49949 B12R1.390 CC(=O)CCCCOCC1CC1 34a_100000211283_100009817362 [0,2,0,1,0,0|0,0,0]=3 49950 B12R1.390 CC(=O)CCCCOC[C@@H]1CO1 34a_100000757423_100009817362 [0,2,0,1,0,0|1,0,0]=4 49951 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000735457_100000742324 [0,2,0,1,0,0|0,1,0]=4 49952 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000756562_100000735457 [0,2,0,1,0,0|0,1,0]=4 49953 B12R1.390 CC(=O)CCCNCCC1CC1 34a_100000764129_100000685027 [0,2,0,1,0,0|1,0,0]=4 49954 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000754188_100000685027 [0,2,0,1,0,0|0,0,0]=3 49955 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000759063_100000694398 [0,2,0,1,0,0|0,0,0]=3 49956 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000754188_100011215641 [0,2,0,1,0,0|0,0,0]=3 49957 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000759063_100000764125 [0,2,0,1,0,0|0,0,0]=3 49958 B12R1.390 CC(=O)CCCOCCC1CO1 34a_100000759063_100000732470 [0,2,0,1,0,0|0,0,1]=4 49959 B12R1.390 CC(=O)CCCOCCC1CO1 7a_100000759063_100000732470 [0,2,0,1,0,0|0,0,1]=4 49960 B12R1.390 CC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100000685027 [0,2,0,1,0,0|0,0,1]=4 49961 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100000764125_100011215641 [0,2,0,1,0,0|0,1,0]=4 49962 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100011215641_100000764125 [0,2,0,1,0,0|0,1,0]=4 49963 B12R1.390 CC(=O)CCOCCCC1CO1 34a_100000759926_100000733510 [0,2,0,1,0,0|0,0,1]=4 49964 B12R1.390 CC(=O)CCOCCCC1CO1 7a_100000759926_100000733510 [0,2,0,1,0,0|0,0,1]=4 49965 B12R1.390 CC(=O)NCCCOCC1CC1 34a_100000752032_100000742324 [0,2,0,1,0,0|0,0,1]=4 49966 B12R1.390 CC(=O)NCCOCCC1CC1 34a_100000158858_100000694398 [0,2,0,1,0,0|0,0,1]=4 49967 B12R1.390 CC(=O)NCCOCCC1CC1 7a_100000754188_100000189650 [0,2,0,1,0,0|0,0,1]=4 49968 B12R1.390 CC(=O)OCCCOCC1CC1 34a_100000211283_100000042594 [0,2,0,1,0,0|0,0,1]=4 49969 B12R1.390 CC(=O)OCCOCCC1CC1 34a_100000754188_100009814007 [0,2,0,1,0,0|0,0,1]=4 49970 B12R1.390 CC(=O)OCCOCCC1CC1 7a_100000754188_100009814007 [0,2,0,1,0,0|0,0,1]=4 49971 B12R1.390 CC(=O)SCCCOCC1CC1 34a_100000211283_100000038929 [0,2,0,1,0,0|0,0,1]=4 49972 B12R1.390 CC(=S)OCCCOCC1CC1 34a_100000211283_200135323944 [0,2,0,1,0,0|0,0,1]=4 49973 B12R1.390 CC(Br)CCOCC#CC1CC1 34a_100009893172_100009895102 [0,2,0,1,0,0|0,0,1]=4 49974 B12R1.390 CC(Br)CCOCCCC1CO1 34a_100009893172_100000733510 [0,2,0,1,0,0|0,0,0]=3 49975 B12R1.390 CC(C)CCCCCNC1CC1 34a_100000212008_100000210682 [0,2,0,1,0,0|1,0,0]=4 49976 B12R1.390 CC(C)CCCCCNC1CC1 34a_100011290863_100000211595 [0,2,0,1,0,0|1,0,0]=4 49977 B12R1.390 CC(C)CCCCCOC1CC1 34a_100011995859_100000211595 [0,2,0,1,0,0|1,0,0]=4 49978 B12R1.390 CC(C)CCCCCSC1CC1 62a_100000210682_100000211595 [0,2,0,1,0,0|1,0,0]=4 49979 B12R1.390 CC(C)CCCCNCC1CC1 2230a_100000735609_100011216152 [0,2,0,1,0,0|1,0,0]=4 49980 B12R1.390 CC(C)CCCCNCC1CC1 34a_100000735609_100011216152 [0,2,0,1,0,0|1,0,0]=4 49981 B12R1.390 CC(C)CCCCOCC1CC1 34a_100000211283_100011216152 [0,2,0,1,0,0|0,0,0]=3 49982 B12R1.390 CC(C)CCCCOCC1CC1 34a_100011214890_100000742324 [0,2,0,1,0,0|0,0,0]=3 49983 B12R1.390 CC(C)CCCCOCC1CC1 7a_100011214890_100000742324 [0,2,0,1,0,0|0,0,0]=3 49984 B12R1.390 CC(C)CCCCOCC1CO1 34a_100011214890_102125554688 [0,2,0,1,0,0|1,0,0]=4 49985 B12R1.390 CC(C)CCCCOCC1CO1 7a_100011214890_102125554688 [0,2,0,1,0,0|1,0,0]=4 49986 B12R1.390 CC(C)CCCCOCC1CS1 7a_100011214890_100000031435 [0,2,0,1,0,0|1,0,0]=4 49987 B12R1.390 CC(C)CCCCOC[C@@H]1CO1 34a_100000757423_100011216152 [0,2,0,1,0,0|1,0,0]=4 49988 B12R1.390 CC(C)CCCCOC[C@@H]1CO1 7a_100011214890_100000745022 [0,2,0,1,0,0|1,0,0]=4 49989 B12R1.390 CC(C)CCCCSCC1CC1 62a_100000756562_100011216152 [0,2,0,1,0,0|0,1,0]=4 49990 B12R1.390 CC(C)CCCCSCC1CC1 62a_100011216152_100000742324 [0,2,0,1,0,0|0,1,0]=4 49991 B12R1.390 CC(C)CCCNCCC1CC1 2230a_200000737386_100000694398 [0,2,0,1,0,0|1,0,0]=4 49992 B12R1.390 CC(C)CCCNCCC1CC1 34a_100000764129_100011214892 [0,2,0,1,0,0|1,0,0]=4 49993 B12R1.390 CC(C)CCCNCCC1CC1 34a_200000737386_100000694398 [0,2,0,1,0,0|1,0,0]=4 49994 B12R1.390 CC(C)CCCNCCC1CO1 2230a_200000737386_100000732470 [0,2,0,1,0,0|1,0,0]=4 49995 B12R1.390 CC(C)CCCNCCC1CO1 34a_200000737386_100000732470 [0,2,0,1,0,0|1,0,0]=4 49996 B12R1.390 CC(C)CCCOCCC1CC1 34a_100000210774_100000694398 [0,2,0,1,0,0|0,0,0]=3 49997 B12R1.390 CC(C)CCCOCCC1CC1 34a_100000754188_100011214892 [0,2,0,1,0,0|0,0,0]=3 49998 B12R1.390 CC(C)CCCOCCC1CC1 7a_100000210774_100000764125 [0,2,0,1,0,0|0,0,0]=3 49999 B12R1.390 CC(C)CCCOCCC1CC1 7a_100000754188_100011214892 [0,2,0,1,0,0|0,0,0]=3 50000 B12R1.390 CC(C)CCCOCCC1CO1 34a_100000210774_100000732470 [0,2,0,1,0,0|0,0,0]=3 50001 B12R1.390 CC(C)CCCOCCC1CO1 7a_100000210774_100000732470 [0,2,0,1,0,0|0,0,0]=3 50002 B12R1.390 CC(C)CCCOCC[C@@H]1CO1 34a_100009820653_100011214892 [0,2,0,1,0,0|0,0,0]=3 50003 B12R1.390 CC(C)CCCSCCC1CC1 62a_100000764125_100011214892 [0,2,0,1,0,0|0,1,0]=4 50004 B12R1.390 CC(C)CCCSCCC1CC1 62a_100011214892_100000764125 [0,2,0,1,0,0|0,1,0]=4 50005 B12R1.390 CC(C)CCCSCCC1CO1 62a_100000732470_100011214892 [0,2,0,1,0,0|0,1,0]=4 50006 B12R1.390 CC(C)CCCSCCC1CO1 62a_100011214892_100000732470 [0,2,0,1,0,0|0,1,0]=4 50007 B12R1.390 CC(C)CCOCC#CC1CC1 34a_100000083941_100000210312 [0,2,0,1,0,0|0,0,1]=4 50008 B12R1.390 CC(C)CCOCC#CC1CC1 34a_100000210254_100009895102 [0,2,0,1,0,0|0,0,1]=4 50009 B12R1.390 CC(C)CCOCC#CC1CC1 7a_100000083941_100000210626 [0,2,0,1,0,0|0,0,1]=4 50010 B12R1.390 CC(C)CCOCC#CC1CC1 7a_100000210254_100009895102 [0,2,0,1,0,0|0,0,1]=4 50011 B12R1.390 CC(C)CCOCCCC1CO1 34a_100000210254_100000733510 [0,2,0,1,0,0|0,0,0]=3 50012 B12R1.390 CC(C)CCOCCCC1CO1 7a_100000210254_100000733510 [0,2,0,1,0,0|0,0,0]=3 50013 B12R1.390 CC(C)CCOCCNC1CC1 34a_100000738766_100000210312 [0,2,0,1,0,0|0,0,0]=3 50014 B12R1.390 CC(C)CCSCCCC1CO1 62a_100000210312_100000733510 [0,2,0,1,0,0|0,1,0]=4 50015 B12R1.390 CC(C)CCSCCCC1CO1 62a_100000733510_100000210312 [0,2,0,1,0,0|0,1,0]=4 50016 B12R1.390 CC(C)CNCCOCC1CC1 34a_100015185251_100000742324 [0,2,0,1,0,0|0,0,0]=3 50017 B12R1.390 CC(C)CNCCOCC1CO1 34a_100015185251_102125554688 [0,2,0,1,0,0|1,0,0]=4 50018 B12R1.390 CC(C)COCCOCC1CC1 34a_100000703358_100000742324 [0,2,0,1,0,0|0,0,0]=3 50019 B12R1.390 CC(C)COCCOCC1CC1 7a_100000703358_100000742324 [0,2,0,1,0,0|0,0,0]=3 50020 B12R1.390 CC(C)COCCOCC1CO1 34a_100000703358_102125554688 [0,2,0,1,0,0|1,0,0]=4 50021 B12R1.390 CC(C)COCCOCC1CO1 7a_100000703358_102125554688 [0,2,0,1,0,0|1,0,0]=4 50022 B12R1.390 CC(C)COCCOCC1CS1 7a_100000703358_100000031435 [0,2,0,1,0,0|1,0,0]=4 50023 B12R1.390 CC(C)COCCOC[C@@H]1CO1 7a_100000703358_100000745022 [0,2,0,1,0,0|1,0,0]=4 50024 B12R1.390 CC(C)CSCCOCC1CC1 34a_200000230437_100000742324 [0,2,0,1,0,0|0,0,0]=3 50025 B12R1.390 CC(C)CSCCOCC1CC1 7a_200000230437_100000742324 [0,2,0,1,0,0|0,0,0]=3 50026 B12R1.390 CC(C)CSCCOCC1CO1 34a_200000230437_102125554688 [0,2,0,1,0,0|1,0,0]=4 50027 B12R1.390 CC(C)CSCCOCC1CO1 7a_200000230437_102125554688 [0,2,0,1,0,0|1,0,0]=4 50028 B12R1.390 CC(C)CSCCOCC1CS1 7a_200000230437_100000031435 [0,2,0,1,0,0|1,0,0]=4 50029 B12R1.390 CC(C)CSCCOC[C@@H]1CO1 7a_200000230437_100000745022 [0,2,0,1,0,0|1,0,0]=4 50030 B12R1.390 CC(C)NCCCOCC1CC1 34a_100000182298_100000742324 [0,2,0,1,0,0|0,0,0]=3 50031 B12R1.390 CC(C)NCCCOCC1CO1 34a_100000182298_102125554688 [0,2,0,1,0,0|1,0,0]=4 50032 B12R1.390 CC(C)NCCOCCC1CC1 34a_100000224655_100000694398 [0,2,0,1,0,0|0,0,0]=3 50033 B12R1.390 CC(C)NCCOCCC1CO1 34a_100000224655_100000732470 [0,2,0,1,0,0|1,0,0]=4 50034 B12R1.390 CC(C)OCCCNCC1CC1 2230a_100000737246_100000742324 [0,2,0,1,0,0|1,0,0]=4 50035 B12R1.390 CC(C)OCCCNCC1CC1 269862a_100000737246_100000741477 [0,2,0,1,0,0|1,0,0]=4 50036 B12R1.390 CC(C)OCCCNCC1CC1 34a_100000737246_100000742324 [0,2,0,1,0,0|1,0,0]=4 50037 B12R1.390 CC(C)OCCNCCC1CC1 2230a_100000701111_100000694398 [0,2,0,1,0,0|1,0,0]=4 50038 B12R1.390 CC(C)OCCNCCC1CC1 34a_100000701111_100000694398 [0,2,0,1,0,0|1,0,0]=4 50039 B12R1.390 CC(C)OCCNCCC1CC1 34a_100000764129_100000211751 [0,2,0,1,0,0|1,0,0]=4 50040 B12R1.390 CC(C)OCCOCCC1CC1 34a_100000211219_100000694398 [0,2,0,1,0,0|0,0,0]=3 50041 B12R1.390 CC(C)OCCOCCC1CC1 34a_100000754188_100000211751 [0,2,0,1,0,0|0,0,0]=3 50042 B12R1.390 CC(C)OCCOCCC1CC1 7a_100000211219_100000764125 [0,2,0,1,0,0|0,0,0]=3 50043 B12R1.390 CC(C)OCCOCCC1CC1 7a_100000754188_100000211751 [0,2,0,1,0,0|0,0,0]=3 50044 B12R1.390 CC(C)OCCOCCC1CO1 34a_100000211219_100000732470 [0,2,0,1,0,0|1,0,0]=4 50045 B12R1.390 CC(C)OCCOCCC1CO1 7a_100000211219_100000732470 [0,2,0,1,0,0|1,0,0]=4 50046 B12R1.390 CC(C)OCCOCC[C@@H]1CO1 34a_100009820653_100000211751 [0,2,0,1,0,0|1,0,0]=4 50047 B12R1.390 CC(C)OCCSCCC1CC1 62a_100000211751_100000764125 [0,2,0,1,0,0|0,1,0]=4 50048 B12R1.390 CC(C)OCCSCCC1CC1 62a_100000764125_100000211751 [0,2,0,1,0,0|0,1,0]=4 50049 B12R1.390 CC(C)OCOCCNC1CC1 34a_100000738766_100000709892 [0,2,0,1,0,0|1,0,0]=4 50050 B12R1.390 CC(C)SCCNCCC1CC1 2230a_100000731138_100000694398 [0,2,0,1,0,0|1,0,0]=4 50051 B12R1.390 CC(C)SCCNCCC1CC1 34a_100000731138_100000694398 [0,2,0,1,0,0|1,0,0]=4 50052 B12R1.390 CC(C)SCCNCCC1CC1 34a_100000764129_100000730970 [0,2,0,1,0,0|1,0,0]=4 50053 B12R1.390 CC(C)SCCOCCC1CC1 34a_100000754188_100000730970 [0,2,0,1,0,0|0,0,0]=3 50054 B12R1.390 CC(C)SCCOCCC1CC1 34a_200011212901_100000694398 [0,2,0,1,0,0|0,0,0]=3 50055 B12R1.390 CC(C)SCCOCCC1CC1 7a_100000754188_100000730970 [0,2,0,1,0,0|0,0,0]=3 50056 B12R1.390 CC(C)SCCOCCC1CC1 7a_200011212901_100000764125 [0,2,0,1,0,0|0,0,0]=3 50057 B12R1.390 CC(C)SCCOCCC1CO1 34a_200011212901_100000732470 [0,2,0,1,0,0|1,0,0]=4 50058 B12R1.390 CC(C)SCCOCCC1CO1 7a_200011212901_100000732470 [0,2,0,1,0,0|1,0,0]=4 50059 B12R1.390 CC(C)SCCOCC[C@@H]1CO1 34a_100009820653_100000730970 [0,2,0,1,0,0|1,0,0]=4 50060 B12R1.390 CC(C)SCCSCCC1CC1 62a_100000730970_100000764125 [0,2,0,1,0,0|0,1,0]=4 50061 B12R1.390 CC(C)SCCSCCC1CC1 62a_100000764125_100000730970 [0,2,0,1,0,0|0,1,0]=4 50062 B12R1.390 CC(O)CCCNCCC1CC1 34a_100000764129_200000718107 [0,2,0,1,0,0|1,0,0]=4 50063 B12R1.390 CC(O)CCCOCCC1CC1 34a_100000754188_200000718107 [0,2,0,1,0,0|0,0,0]=3 50064 B12R1.390 CC(O)CCCOCCC1CC1 7a_100000754188_200000718107 [0,2,0,1,0,0|0,0,0]=3 50065 B12R1.390 CC(O)CCCOCC[C@@H]1CO1 34a_100009820653_200000718107 [0,2,0,1,0,0|0,0,0]=3 50066 B12R1.390 CC(O)CCCSCCC1CC1 62a_100000764125_200000718107 [0,2,0,1,0,0|0,1,0]=4 50067 B12R1.390 CC(O)CCCSCCC1CC1 62a_200000718107_100000764125 [0,2,0,1,0,0|0,1,0]=4 50068 B12R1.390 CC(O)CCCSCCC1CO1 62a_100000732470_200000718107 [0,2,0,1,0,0|0,1,0]=4 50069 B12R1.390 CC(O)CCCSCCC1CO1 62a_200000718107_100000732470 [0,2,0,1,0,0|0,1,0]=4 50070 B12R1.390 CC(O)CCNCCCC1CO1 2230a_200000755665_100000733510 [0,2,0,1,0,0|1,0,0]=4 50071 B12R1.390 CC(O)CCOCC#CC1CC1 34a_100000083941_100012276601 [0,2,0,1,0,0|0,0,1]=4 50072 B12R1.390 CC(O)CCOCC#CC1CC1 7a_100000083941_100012276601 [0,2,0,1,0,0|0,0,1]=4 50073 B12R1.390 CC(O)CCOCCNC1CC1 34a_100000738766_100012276601 [0,2,0,1,0,0|0,0,0]=3 50074 B12R1.390 CC(O)CCSCCCC1CO1 62a_100000733510_100012276601 [0,2,0,1,0,0|0,1,0]=4 50075 B12R1.390 CC(O)CCSCCCC1CO1 62a_100012276601_100000733510 [0,2,0,1,0,0|0,1,0]=4 50076 B12R1.390 CN(C)CCCCNCC1CC1 269862a_100025707445_100000741477 [0,2,0,1,0,0|1,0,0]=4 50077 B12R1.390 CN(C)CCCCSCC1CC1 62a_100000756562_100000690147 [0,2,0,1,0,0|0,1,0]=4 50078 B12R1.390 CN(C)CCCOCCC1CC1 7a_100000754188_100000757444 [0,2,0,1,0,0|0,0,0]=3 50079 B12R1.390 CN(C)CCCSCCC1CC1 62a_100000764125_100000757444 [0,2,0,1,0,0|0,1,0]=4 50080 B12R1.390 CS(=O)CCCNCCC1CC1 2230a_200000753449_100000694398 [0,2,0,1,0,0|1,0,0]=4 50081 B12R1.390 C[C@@H](N)CCOCC#CC1CC1 34a_100000706166_100009895102 [0,2,0,1,0,0|0,0,1]=4 50082 B12R1.390 C[C@@H](N)CCOCCCC1CO1 34a_100000706166_100000733510 [0,2,0,1,0,0|0,0,0]=3 50083 B12R1.390 FC(F)CCOCCCC1CO1 34a_100103093639_100000733510 [0,2,0,1,0,0|1,0,0]=4 50084 B12R1.390 FC(F)COCCOCC1CC1 34a_100000211283_200012177212 [0,2,0,1,0,0|1,0,0]=4 50085 B12R1.390 FC(F)COCCOCC1CC1 34a_100000704375_100000742324 [0,2,0,1,0,0|1,0,0]=4 50086 B12R1.390 FC(F)COCCOCC1CC1 7a_100000704375_100000742324 [0,2,0,1,0,0|1,0,0]=4 50087 B12R1.390 NC(=O)CCCCOCC1CC1 34a_100012022536_100000742324 [0,2,0,1,0,0|0,0,1]=4 50088 B12R1.390 NC(=O)CCCCOCC1CC1 7a_100012022536_100000742324 [0,2,0,1,0,0|0,0,1]=4 50089 B12R1.390 NC(=O)CCCOCCC1CC1 34a_100000754188_100102525003 [0,2,0,1,0,0|0,0,1]=4 50090 B12R1.390 NC(=O)CCCOCCC1CC1 7a_100000754188_100102525003 [0,2,0,1,0,0|0,0,1]=4 50091 B12R1.390 O=[N+]([O-])CCCCOCC1CC1 34a_200015379883_100000742324 [0,2,0,1,0,0|1,0,0]=4 50092 B12R1.390 O=[N+]([O-])CCCCOCC1CC1 7a_200015379883_100000742324 [0,2,0,1,0,0|1,0,0]=4 50093 B12R1.390 O=[N+]([O-])CCCOCCC1CC1 34a_200000037920_100000694398 [0,2,0,1,0,0|1,0,0]=4 50094 B12R1.390 OB(O)CCCCOCC1CC1 34a_100000211283_200009817182 [0,2,0,1,0,0|1,0,0]=4 50095 B12R1.924 CC(C)CCN1CCCC1(C)C 2230a_100000761399_100000210312 [0,2,0,1,0,0|1,0,0]=4 50096 B12R1.924 CC(C)CCN1CCCC1(C)C 269982a_100000761399_100000210312 [0,2,0,1,0,0|1,0,0]=4 50097 B12R1.924 CC(C)CCN1CCCC1(C)C 34a_100000761399_100000210312 [0,2,0,1,0,0|1,0,0]=4 50098 B12R1.924 CC(O)CCN1CCCC1(C)C 2230a_100000761399_100012276601 [0,2,0,1,0,0|1,0,0]=4 50099 B12R1.924 CC(O)CCN1CCCC1(C)C 269982a_100000761399_100012276601 [0,2,0,1,0,0|1,0,0]=4 50100 B12R1.924 CC(O)CCN1CCCC1(C)C 34a_100000761399_100012276601 [0,2,0,1,0,0|1,0,0]=4 50101 B12R1.1347 C=C(C)CCOCC1CC1(C)C 34a_100000728257_100000730704 [0,2,0,1,0,0|0,0,1]=4 50102 B12R1.1347 C=C(C)CCOCC1CC1(C)C 7a_100000728257_100000730704 [0,2,0,1,0,0|0,0,1]=4 50103 B12R1.1347 CC(=O)CCOCC1CC1(C)C 7a_100000728257_100000053229 [0,2,0,1,0,0|0,0,1]=4 50104 B12R1.1347 CC(Br)CCOCC1CC1(F)F 34a_100009893172_100009817841 [0,2,0,1,0,0|1,0,0]=4 50105 B12R1.1347 CC(C)CCOCC1CC1(C)C 34a_100000728257_100000210312 [0,2,0,1,0,0|0,0,0]=3 50106 B12R1.1347 CC(C)CCOCC1CC1(C)C 7a_100000728257_100000210626 [0,2,0,1,0,0|0,0,0]=3 50107 B12R1.1347 CC(C)CCOCC1CC1(F)F 34a_100000056500_100000210312 [0,2,0,1,0,0|1,0,0]=4 50108 B12R1.1347 CC(C)CCOCC1CC1(F)F 34a_100000210254_100009817841 [0,2,0,1,0,0|1,0,0]=4 50109 B12R1.1347 CC(C)CCOCC1CC1(F)F 7a_100000056500_100000210626 [0,2,0,1,0,0|1,0,0]=4 50110 B12R1.1347 CC(C)CCOCC1CC1(F)F 7a_100000210254_100009817841 [0,2,0,1,0,0|1,0,0]=4 50111 B12R1.1347 CC(C)CCOCC1OC1(C)C 34a_200010283642_100000210312 [0,2,0,1,0,0|1,0,0]=4 50112 B12R1.1347 CC(C)CCOCC1OC1(C)C 7a_200010283642_100000210626 [0,2,0,1,0,0|1,0,0]=4 50113 B12R1.1347 CC(C)OCOCC1CC1(C)C 34a_100000728257_100000709892 [0,2,0,1,0,0|1,0,0]=4 50114 B12R1.1347 CC(O)CCOCC1CC1(C)C 34a_100000728257_100012276601 [0,2,0,1,0,0|0,0,0]=3 50115 B12R1.1347 CC(O)CCOCC1CC1(C)C 7a_100000728257_100012276601 [0,2,0,1,0,0|0,0,0]=3 50116 B12R1.1347 CC(O)CCOCC1CC1(F)F 34a_100000056500_100012276601 [0,2,0,1,0,0|1,0,0]=4 50117 B12R1.1347 CC(O)CCOCC1CC1(F)F 7a_100000056500_100012276601 [0,2,0,1,0,0|1,0,0]=4 50118 B12R1.1347 CC(O)CCOCC1OC1(C)C 34a_200010283642_100012276601 [0,2,0,1,0,0|1,0,0]=4 50119 B12R1.1347 CC(O)CCOCC1OC1(C)C 7a_200010283642_100012276601 [0,2,0,1,0,0|1,0,0]=4 50120 B12R1.1347 CN(C)CCOCC1CC1(C)C 7a_100000728257_100000755713 [0,2,0,1,0,0|1,0,0]=4 50121 B12R1.1347 C[C@@H](N)CCOCC1CC1(F)F 34a_100000706166_100009817841 [0,2,0,1,0,0|1,0,0]=4 50122 B12R1.1 C=C1CCC(CC1)NCCCC 270004a_100000102301_100010272673 [0,2,0,1,0,0|1,0,0]=4 50123 B12R1.1 C=C1CCN(CC1)CCCCC 2230a_100000752442_100000210326 [0,2,0,1,0,0|1,0,0]=4 50124 B12R1.1 C=C1CCN(CC1)CCCCC 269982a_100000752442_100000210215 [0,2,0,1,0,0|1,0,0]=4 50125 B12R1.1 C=C1CCN(CC1)CCCCC 34a_100000752442_100000718602 [0,2,0,1,0,0|1,0,0]=4 50126 B12R1.1 CC1CCC(CC1)OCCCBr 34a_100011217188_200011216234 [0,2,0,1,0,0|1,0,0]=4 50127 B12R1.1 CC1CCC(CC1)OCCCCl 34a_100000230001_200011216234 [0,2,0,1,0,0|1,0,0]=4 50128 B12R1.1 CC1CCC(CC1)OCCCF 34a_100000210714_100011934791 [0,2,0,1,0,0|1,0,0]=4 50129 B12R1.1 CC1CCC(CC1)OCCCF 34a_100000759539_200011216234 [0,2,0,1,0,0|1,0,0]=4 50130 B12R1.1 CC1CCC(CC1)OCCCF 7a_100000210714_100011934791 [0,2,0,1,0,0|1,0,0]=4 50131 B12R1.1 CC1CCC(CC1)OCCCN 34a_100000182051_200011216234 [0,2,0,1,0,0|1,0,0]=4 50132 B12R1.1 CC1CCC(CC1)OCCCO 34a_100000210714_100000230001 [0,2,0,1,0,0|1,0,0]=4 50133 B12R1.1 CC1CCC(CC1)OCCCO 7a_100000210714_100011215043 [0,2,0,1,0,0|1,0,0]=4 50134 B12R1.1 CC1CCN(CC1)CCCCF 2230a_100000188429_100000729493 [0,2,0,1,0,0|1,0,0]=4 50135 B12R1.1 CC1CCN(CC1)CCCCF 269982a_100000188429_100000729493 [0,2,0,1,0,0|1,0,0]=4 50136 B12R1.1 CC1CCN(CC1)CCCCF 34a_100000188429_100000729493 [0,2,0,1,0,0|1,0,0]=4 50137 B12R1.1 CC1CCN(CC1)CCCCO 2230a_100000188429_100000210776 [0,2,0,1,0,0|1,0,0]=4 50138 B12R1.1 CC1CCN(CC1)CCCCO 269982a_100000188429_100000210776 [0,2,0,1,0,0|1,0,0]=4 50139 B12R1.1 CC1CCN(CC1)CCCCO 34a_100000188429_100011216708 [0,2,0,1,0,0|1,0,0]=4 50140 B12R1.1 CC1CCN(CC1)CCCO[13CH3] 34a_200000213400_200025704644 [0,2,0,1,0,0|1,0,0]=4 50141 B12R1.1 CCCCCN1CCC(CC1)C 2230a_100000188429_100000210326 [0,2,0,1,0,0|1,0,0]=4 50142 B12R1.1 CCCCCN1CCC(CC1)C 269982a_100000188429_100000210215 [0,2,0,1,0,0|1,0,0]=4 50143 B12R1.1 CCCCCN1CCC(CC1)C 34a_100000188429_100000718602 [0,2,0,1,0,0|1,0,0]=4 50144 B12R1.1 CCCCCN1CCC(CC1)F 2230a_100015193889_100000210326 [0,2,0,1,0,0|1,0,0]=4 50145 B12R1.1 CCCCCN1CCC(CC1)F 269982a_100015193889_100000210215 [0,2,0,1,0,0|1,0,0]=4 50146 B12R1.1 CCCCCN1CCC(CC1)F 34a_100015193889_100000718602 [0,2,0,1,0,0|1,0,0]=4 50147 B12R1.1 CCCCCN1CCC(CC1)O 2230a_100025773856_100000210326 [0,2,0,1,0,0|1,0,0]=4 50148 B12R1.1 CCCCCN1CCC(CC1)O 269982a_100025773856_100000210215 [0,2,0,1,0,0|1,0,0]=4 50149 B12R1.1 CCCCCN1CCN(CC1)C 2230a_100000188432_100000210326 [0,2,0,1,0,0|1,0,0]=4 50150 B12R1.1 CCCCCN1CCN(CC1)C 2230a_100011207891_200000210301 [0,2,0,1,0,0|1,0,0]=4 50151 B12R1.1 CCCCCN1CCN(CC1)C 269982a_100000188432_100000210215 [0,2,0,1,0,0|1,0,0]=4 50152 B12R1.1 CCCCCN1CCN(CC1)C 269982a_100011207891_200000210301 [0,2,0,1,0,0|1,0,0]=4 50153 B12R1.1 CCCCCN1CCN(CC1)[13CH3] 2230a_100011207891_200025704644 [0,2,0,1,0,0|1,0,0]=4 50154 B12R1.1 CCCCCN1CCN(CC1)[13CH3] 269982a_100011207891_200025704644 [0,2,0,1,0,0|1,0,0]=4 50155 B12R1.1 CCCCCN1CCS(=O)CC1 2230a_100000752083_100000210326 [0,2,0,1,0,0|1,0,0]=4 50156 B12R1.1 CCCCCN1CCS(=O)CC1 269982a_100000752083_100000210215 [0,2,0,1,0,0|1,0,0]=4 50157 B12R1.1 CCCCNC1CCC(CC1)C 270004a_100000102301_100000185489 [0,2,0,1,0,0|1,0,0]=4 50158 B12R1.1 CCCCNC1CCC(CC1)O 270004a_100000102301_100000764474 [0,2,0,1,0,0|1,0,0]=4 50159 B12R1.1 CCCCNC1CCN(CC1)C 270004a_100000102301_100000210137 [0,2,0,1,0,0|1,0,0]=4 50160 B12R1.1 CCCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210211 [0,2,0,1,0,0|1,0,0]=4 50161 B12R1.1 CCCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210210 [0,2,0,1,0,0|1,0,0]=4 50162 B12R1.1 CCCCOC1CCC(=O)CC1 34a_100000764474_100000210210 [0,2,0,1,0,0|0,0,0]=3 50163 B12R1.1 CCCCOC1CCC(=O)CC1 7a_100000764474_100000210211 [0,2,0,1,0,0|0,0,0]=3 50164 B12R1.1 CCCCOC1CCC(=O)NC1 34a_100000079199_100000210210 [0,2,0,1,0,0|0,0,1]=4 50165 B12R1.1 CCCCOC1CCC(CC1)C 34a_100000210227_200011216234 [0,2,0,1,0,0|0,0,0]=3 50166 B12R1.1 CCCCOC1CCC(CC1)C 34a_100000210714_100000210210 [0,2,0,1,0,0|0,0,0]=3 50167 B12R1.1 CCCCOC1CCC(CC1)C 7a_100000210714_100000210211 [0,2,0,1,0,0|0,0,0]=3 50168 B12R1.1 CCCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210210 [0,2,0,1,0,0|0,0,0]=3 50169 B12R1.1 CCCCSC1CCC(CC1)C 62a_100000210211_200011216234 [0,2,0,1,0,0|0,1,0]=4 50170 B12R1.1 CCCCSC1CCN(CC1)C 62a_100000210211_100011215917 [0,2,0,1,0,0|0,1,0]=4 50171 B12R1.1 CCCNCC1CCC(CC1)C 2230a_103436935547_100000210303 [0,2,0,1,0,0|1,0,0]=4 50172 B12R1.1 CCCNCC1CCC(CC1)C 34a_103436935547_100000210303 [0,2,0,1,0,0|1,0,0]=4 50173 B12R1.1 CCCOCC1CCC(CC1)C 34a_100000701341_100000210303 [0,2,0,1,0,0|1,0,0]=4 50174 B12R1.1 CCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000210303 [0,2,0,1,0,0|1,0,0]=4 50175 B12R1.1 CCNCCC1CCC(CC1)O 34a_200011935226_100000210202 [0,2,0,1,0,0|1,0,0]=4 50176 B12R1.1 CCOCCC1CCC(CC1)N 34a_100000070672_100000210202 [0,2,0,1,0,0|1,0,0]=4 50177 B12R1.1 CCOCCN1CCC(CC1)C 2230a_100000188429_100011215890 [0,2,0,1,0,0|1,0,0]=4 50178 B12R1.1 CCOCCN1CCC(CC1)C 269982a_100000188429_100011215890 [0,2,0,1,0,0|1,0,0]=4 50179 B12R1.1 CCOCCN1CCC(CC1)C 34a_100000188429_100000210147 [0,2,0,1,0,0|1,0,0]=4 50180 B12R1.1 CCOCCN1CCC(CC1)F 2230a_100015193889_100011215890 [0,2,0,1,0,0|1,0,0]=4 50181 B12R1.1 CCOCCN1CCC(CC1)F 269982a_100015193889_100011215890 [0,2,0,1,0,0|1,0,0]=4 50182 B12R1.1 CCOCCN1CCC(CC1)F 34a_100015193889_100000210147 [0,2,0,1,0,0|1,0,0]=4 50183 B12R1.1 CCOCCN1CCC(CC1)O 2230a_100025773856_100011215890 [0,2,0,1,0,0|1,0,0]=4 50184 B12R1.1 CCOCCN1CCC(CC1)O 269982a_100025773856_100011215890 [0,2,0,1,0,0|1,0,0]=4 50185 B12R1.1 CCSCCN1CCC(CC1)C 2230a_100000188429_100000757381 [0,2,0,1,0,0|1,0,0]=4 50186 B12R1.1 CCSCCN1CCC(CC1)C 269982a_100000188429_100000757381 [0,2,0,1,0,0|1,0,0]=4 50187 B12R1.1 CCSCCN1CCC(CC1)C 34a_100000188429_100000757381 [0,2,0,1,0,0|1,0,0]=4 50188 B12R1.1 CCSCCN1CCC(CC1)F 2230a_100015193889_100000757381 [0,2,0,1,0,0|1,0,0]=4 50189 B12R1.1 CCSCCN1CCC(CC1)F 269982a_100015193889_100000757381 [0,2,0,1,0,0|1,0,0]=4 50190 B12R1.1 CCSCCN1CCC(CC1)F 34a_100015193889_100000757381 [0,2,0,1,0,0|1,0,0]=4 50191 B12R1.1 CCSCCN1CCC(CC1)O 2230a_100025773856_100000757381 [0,2,0,1,0,0|1,0,0]=4 50192 B12R1.1 CCSCCN1CCC(CC1)O 269982a_100025773856_100000757381 [0,2,0,1,0,0|1,0,0]=4 50193 B12R1.1 COCCCN1CCC(CC1)C 2230a_100000188429_100000740836 [0,2,0,1,0,0|1,0,0]=4 50194 B12R1.1 COCCCN1CCC(CC1)C 269982a_100000188429_100000740836 [0,2,0,1,0,0|1,0,0]=4 50195 B12R1.1 COCCCN1CCC(CC1)C 34a_100000188429_100000740836 [0,2,0,1,0,0|1,0,0]=4 50196 B12R1.1 COCCCN1CCC(CC1)C 34a_200000213400_200000210301 [0,2,0,1,0,0|1,0,0]=4 50197 B12R1.1 COCCCN1CCC(CC1)F 2230a_100015193889_100000740836 [0,2,0,1,0,0|1,0,0]=4 50198 B12R1.1 COCCCN1CCC(CC1)F 269982a_100015193889_100000740836 [0,2,0,1,0,0|1,0,0]=4 50199 B12R1.1 COCCCN1CCC(CC1)F 34a_100015193889_100000740836 [0,2,0,1,0,0|1,0,0]=4 50200 B12R1.1 COCCCN1CCC(CC1)O 2230a_100025773856_100000740836 [0,2,0,1,0,0|1,0,0]=4 50201 B12R1.1 COCCCN1CCC(CC1)O 269982a_100025773856_100000740836 [0,2,0,1,0,0|1,0,0]=4 50202 B12R1.1 COCCOC1CCC(=O)CC1 34a_100000764474_100011201679 [0,2,0,1,0,0|1,0,0]=4 50203 B12R1.1 COCCOC1CCC(=O)CC1 7a_100000764474_100000233755 [0,2,0,1,0,0|1,0,0]=4 50204 B12R1.1 COCCOC1CCC(CC1)C 34a_100000210237_200011216234 [0,2,0,1,0,0|1,0,0]=4 50205 B12R1.1 COCCOC1CCC(CC1)C 34a_100000210714_100011201679 [0,2,0,1,0,0|1,0,0]=4 50206 B12R1.1 COCCOC1CCC(CC1)C 7a_100000210714_100000233755 [0,2,0,1,0,0|1,0,0]=4 50207 B12R1.1 COCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100011201679 [0,2,0,1,0,0|1,0,0]=4 50208 B12R1.1 CSCCOC1CCC(=O)CC1 34a_100000764474_100000212216 [0,2,0,1,0,0|1,0,0]=4 50209 B12R1.1 CSCCOC1CCC(=O)CC1 7a_100000764474_100000212216 [0,2,0,1,0,0|1,0,0]=4 50210 B12R1.1 CSCCOC1CCC(CC1)C 34a_100000210714_100000212216 [0,2,0,1,0,0|1,0,0]=4 50211 B12R1.1 CSCCOC1CCC(CC1)C 34a_100000230434_200011216234 [0,2,0,1,0,0|1,0,0]=4 50212 B12R1.1 CSCCOC1CCC(CC1)C 7a_100000210714_100000212216 [0,2,0,1,0,0|1,0,0]=4 50213 B12R1.1 CSCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000212216 [0,2,0,1,0,0|1,0,0]=4 50214 B12R1.1 FCCCCN1CCC(CC1)F 2230a_100015193889_100000729493 [0,2,0,1,0,0|1,0,0]=4 50215 B12R1.1 FCCCCN1CCC(CC1)F 269982a_100015193889_100000729493 [0,2,0,1,0,0|1,0,0]=4 50216 B12R1.1 FCCCCN1CCC(CC1)F 34a_100015193889_100000729493 [0,2,0,1,0,0|1,0,0]=4 50217 B12R1.1 N[C@H]1CC[C@H](CC1)OCCCF 34a_100020628982_100011934791 [0,2,0,1,0,0|1,0,0]=4 50218 B12R1.1 N[C@H]1CC[C@H](CC1)OCCCO 34a_100020628982_100000230001 [0,2,0,1,0,0|1,0,0]=4 50219 B12R1.1 O=C1CCC(CC1)OCCCF 34a_100000764474_100011934791 [0,2,0,1,0,0|1,0,0]=4 50220 B12R1.1 O=C1CCC(CC1)OCCCF 7a_100000764474_100011934791 [0,2,0,1,0,0|1,0,0]=4 50221 B12R1.1 O=C1CCC(CC1)OCCCO 34a_100000764474_100000230001 [0,2,0,1,0,0|1,0,0]=4 50222 B12R1.1 O=C1CCC(CC1)OCCCO 7a_100000764474_100011215043 [0,2,0,1,0,0|1,0,0]=4 50223 B12R1.1 OC1CCN(CC1)CCCCF 2230a_100025773856_100000729493 [0,2,0,1,0,0|1,0,0]=4 50224 B12R1.1 OC1CCN(CC1)CCCCF 269982a_100025773856_100000729493 [0,2,0,1,0,0|1,0,0]=4 50225 B12R1.1 OCCCCN1CCC(CC1)F 2230a_100015193889_100000210776 [0,2,0,1,0,0|1,0,0]=4 50226 B12R1.1 OCCCCN1CCC(CC1)F 269982a_100015193889_100000210776 [0,2,0,1,0,0|1,0,0]=4 50227 B12R1.1 OCCCCN1CCC(CC1)F 34a_100015193889_100011216708 [0,2,0,1,0,0|1,0,0]=4 50228 B12R1.1 OCCCCN1CCC(CC1)O 2230a_100025773856_100000210776 [0,2,0,1,0,0|1,0,0]=4 50229 B12R1.1 OCCCCN1CCC(CC1)O 269982a_100025773856_100000210776 [0,2,0,1,0,0|1,0,0]=4 50230 B12R1.27 C#CC(C)NCC1CCCCO1 2230a_100000707721_100000211543 [0,2,0,1,0,0|1,0,0]=4 50231 B12R1.27 C#CC(C)NCC1CCCCO1 34a_100000174945_200000035995 [0,2,0,1,0,0|1,0,0]=4 50232 B12R1.27 C#CC(C)NCC1CCCCO1 34a_100000707721_100000211543 [0,2,0,1,0,0|1,0,0]=4 50233 B12R1.27 C#CC(C)OCC1CCCCO1 34a_100000211370_200000035995 [0,2,0,1,0,0|1,0,0]=4 50234 B12R1.27 C#CC(C)SCC1CCCCO1 62a_200000035995_100000211543 [0,2,0,1,0,0|1,0,0]=4 50235 B12R1.27 C#C[C@@H](C)OCC1CCCCO1 34a_100009815206_100000211543 [0,2,0,1,0,0|1,0,0]=4 50236 B12R1.27 C#C[C@@H](C)OCC1CCCCO1 7a_100009815206_100000211543 [0,2,0,1,0,0|1,0,0]=4 50237 B12R1.27 C=CC(C)OCC1CCCCO1 34a_100000695699_100000211543 [0,2,0,1,0,0|1,0,0]=4 50238 B12R1.27 C=CC(C)SCC1CCCCO1 62a_100011215867_100000211543 [0,2,0,1,0,0|1,0,0]=4 50239 B12R1.27 CC(C#N)NCC1CCCCO1 2230a_100000174945_100000184139 [0,2,0,1,0,0|1,0,0]=4 50240 B12R1.27 CC(C#N)NCC1CCCCO1 2230a_100000737613_100000211543 [0,2,0,1,0,0|1,0,0]=4 50241 B12R1.27 CC(C#N)OCC1CCCCO1 34a_100011218135_100000211543 [0,2,0,1,0,0|1,0,0]=4 50242 B12R1.27 CC(C#N)OCC1CCCCO1 7a_100000211370_100000703298 [0,2,0,1,0,0|1,0,0]=4 50243 B12R1.27 CC(C#N)SCC1CCCCO1 62a_100000211543_100000703298 [0,2,0,1,0,0|1,0,0]=4 50244 B12R1.27 CC(C#N)SCC1CCCCO1 62a_100000703298_100000211543 [0,2,0,1,0,0|1,0,0]=4 50245 B12R1.27 CC(CF)OCC1CCCCO1 34a_100016041109_100000211543 [0,2,0,1,0,0|1,0,0]=4 50246 B12R1.27 CC(CF)OCC1CCCCO1 7a_100016041109_100000211543 [0,2,0,1,0,0|1,0,0]=4 50247 B12R1.27 CC(CN)COC1CCCCC1 34a_100000744482_100000210327 [0,2,0,1,0,0|1,0,0]=4 50248 B12R1.27 CC(CN)COC1CCCOC1 34a_100000744482_100000693364 [0,2,0,1,0,0|1,0,0]=4 50249 B12R1.27 CC(CN)COC1CCSCC1 34a_100000744482_100000069128 [0,2,0,1,0,0|1,0,0]=4 50250 B12R1.27 CC(CN)OCC1CCCCO1 34a_100000210904_100000211543 [0,2,0,1,0,0|1,0,0]=4 50251 B12R1.27 CC(CO)NCC1CCCCO1 2230a_100000174945_100012180447 [0,2,0,1,0,0|1,0,0]=4 50252 B12R1.27 CC(CO)NCC1CCCCO1 34a_100000174945_100012180447 [0,2,0,1,0,0|1,0,0]=4 50253 B12R1.27 CC(CO)OCC1CCCCO1 34a_100000211370_100012180447 [0,2,0,1,0,0|1,0,0]=4 50254 B12R1.27 CC(CO)OCC1CCCCO1 7a_100000211370_100012180447 [0,2,0,1,0,0|1,0,0]=4 50255 B12R1.27 CC(CO)SCC1CCCCO1 62a_100012180447_100000211543 [0,2,0,1,0,0|1,0,0]=4 50256 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000210414_100011273959 [0,2,0,1,0,0|1,0,0]=4 50257 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210202 [0,2,0,1,0,0|1,0,0]=4 50258 B12R1.27 CCC(=O)CCC1OCCCO1 1458a_100000210414_100000764188 [0,2,0,1,0,0|1,0,0]=4 50259 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000210414_100000739454 [0,2,0,1,0,0|1,0,0]=4 50260 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000743487_100000210202 [0,2,0,1,0,0|1,0,0]=4 50261 B12R1.27 CCC(=O)CCN1CCCCO1 1458a_200015184090_100000210202 [0,2,0,1,0,0|0,0,1]=4 50262 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100000210414_100011935260 [0,2,0,1,0,0|0,0,1]=4 50263 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100011223303_100000210202 [0,2,0,1,0,0|0,0,1]=4 50264 B12R1.27 CCC(=O)COC1CCCCC1 34a_100000725409_100000210327 [0,2,0,1,0,0|0,0,1]=4 50265 B12R1.27 CCC(=O)COC1CCCCC1 7a_100000210231_100000747405 [0,2,0,1,0,0|0,0,1]=4 50266 B12R1.27 CCC(=O)COC1CCCOC1 34a_100000725409_100000693364 [0,2,0,1,0,0|0,0,1]=4 50267 B12R1.27 CCC(=O)COC1CCCSC1 7a_100015962668_100000747405 [0,2,0,1,0,0|0,0,1]=4 50268 B12R1.27 CCC(=O)COC1CCSCC1 34a_100000725409_100000069128 [0,2,0,1,0,0|0,0,1]=4 50269 B12R1.27 CCC(=O)COC1CCSCC1 7a_100000731022_100000747405 [0,2,0,1,0,0|0,0,1]=4 50270 B12R1.27 CCC(=O)NCC1CCCCO1 11a_100000174945_100000210414 [0,2,0,1,0,0|0,0,1]=4 50271 B12R1.27 CCC(=O)NCC1CCCCO1 1626a_100000174945_100000210414 [0,2,0,1,0,0|0,0,1]=4 50272 B12R1.27 CCC(=O)NCC1CCCCO1 240690a_100000174945_100000210414 [0,2,0,1,0,0|0,0,1]=4 50273 B12R1.27 CCC(=O)NCC1CCCCO1 527a_100000174945_100000210414 [0,2,0,1,0,0|0,0,1]=4 50274 B12R1.27 CCC(C)CNC1CCCCC1 2230a_100000182618_100000748023 [0,2,0,1,0,0|1,0,0]=4 50275 B12R1.27 CCC(C)CNC1CCCCC1 270004a_100000182618_100000243153 [0,2,0,1,0,0|1,0,0]=4 50276 B12R1.27 CCC(C)CNC1CCCCC1 270004a_100020588543_100000210434 [0,2,0,1,0,0|1,0,0]=4 50277 B12R1.27 CCC(C)CNC1CCCCC1 34a_100000182618_100000748023 [0,2,0,1,0,0|1,0,0]=4 50278 B12R1.27 CCC(C)CNC1CCCOC1 2230a_100000719290_100000748023 [0,2,0,1,0,0|1,0,0]=4 50279 B12R1.27 CCC(C)CNC1CCCOC1 270004a_100000719290_100000243153 [0,2,0,1,0,0|1,0,0]=4 50280 B12R1.27 CCC(C)CNC1CCCOC1 270004a_100020588543_100000753404 [0,2,0,1,0,0|1,0,0]=4 50281 B12R1.27 CCC(C)CNC1CCCOC1 34a_100000719290_100000748023 [0,2,0,1,0,0|1,0,0]=4 50282 B12R1.27 CCC(C)CNC1CCCSC1 270004a_100020588543_100000057913 [0,2,0,1,0,0|1,0,0]=4 50283 B12R1.27 CCC(C)CNC1CCNCC1 270004a_100020588543_100015192401 [0,2,0,1,0,0|1,0,0]=4 50284 B12R1.27 CCC(C)CNC1CCOCC1 2230a_100000741149_100000748023 [0,2,0,1,0,0|1,0,0]=4 50285 B12R1.27 CCC(C)CNC1CCOCC1 270004a_100000741149_100000243153 [0,2,0,1,0,0|1,0,0]=4 50286 B12R1.27 CCC(C)CNC1CCOCC1 270004a_100020588543_100011217826 [0,2,0,1,0,0|1,0,0]=4 50287 B12R1.27 CCC(C)CNC1CCOCC1 34a_100000741149_100000748023 [0,2,0,1,0,0|1,0,0]=4 50288 B12R1.27 CCC(C)CNC1CCSCC1 2230a_100000748639_100000748023 [0,2,0,1,0,0|1,0,0]=4 50289 B12R1.27 CCC(C)CNC1CCSCC1 270004a_100000748639_100000243153 [0,2,0,1,0,0|1,0,0]=4 50290 B12R1.27 CCC(C)CNC1CCSCC1 270004a_100020588543_100000203788 [0,2,0,1,0,0|1,0,0]=4 50291 B12R1.27 CCC(C)CNC1CCSCC1 34a_100000748639_100000748023 [0,2,0,1,0,0|1,0,0]=4 50292 B12R1.27 CCC(C)COC1C=CCCC1 34a_100011215024_100000748023 [0,2,0,1,0,0|0,0,1]=4 50293 B12R1.27 CCC(C)COC1CC=CCC1 34a_100000073881_100000748023 [0,2,0,1,0,0|0,0,1]=4 50294 B12R1.27 CCC(C)COC1CCCCC1 34a_100000210231_100000748023 [0,2,0,1,0,0|0,0,0]=3 50295 B12R1.27 CCC(C)COC1CCCCC1 7a_100000210231_100000748023 [0,2,0,1,0,0|0,0,0]=3 50296 B12R1.27 CCC(C)COC1CCCCO1 34a_100000033831_100000748023 [0,2,0,1,0,0|0,0,0]=3 50297 B12R1.27 CCC(C)COC1CCCOC1 34a_100000754041_100000748023 [0,2,0,1,0,0|0,0,0]=3 50298 B12R1.27 CCC(C)COC1CCCSC1 7a_100015962668_100000748023 [0,2,0,1,0,0|0,0,0]=3 50299 B12R1.27 CCC(C)COC1CCOCC1 34a_100000744328_100000748023 [0,2,0,1,0,0|0,0,0]=3 50300 B12R1.27 CCC(C)COC1CCSCC1 34a_100000731022_100000748023 [0,2,0,1,0,0|0,0,0]=3 50301 B12R1.27 CCC(C)COC1CCSCC1 7a_100000731022_100000748023 [0,2,0,1,0,0|0,0,0]=3 50302 B12R1.27 CCC(C)CSC1CCCCC1 62a_100000210327_100000748023 [0,2,0,1,0,0|0,1,0]=4 50303 B12R1.27 CCC(C)CSC1CCCCC1 62a_100000748023_100000210327 [0,2,0,1,0,0|0,1,0]=4 50304 B12R1.27 CCC(C)CSC1CCCOC1 62a_100000748023_100000693364 [0,2,0,1,0,0|0,1,0]=4 50305 B12R1.27 CCC(C)CSC1CCOCC1 62a_100000748023_100011324220 [0,2,0,1,0,0|0,1,0]=4 50306 B12R1.27 CCC(C)CSC1CCSCC1 62a_100000748023_100000069128 [0,2,0,1,0,0|0,1,0]=4 50307 B12R1.27 CCC(C)NCC1CCCCC1 2230a_100000209981_100000211423 [0,2,0,1,0,0|1,0,0]=4 50308 B12R1.27 CCC(C)NCC1CCCCC1 2230a_100000210473_100000758301 [0,2,0,1,0,0|1,0,0]=4 50309 B12R1.27 CCC(C)NCC1CCCCC1 269862a_100000209981_100000211278 [0,2,0,1,0,0|1,0,0]=4 50310 B12R1.27 CCC(C)NCC1CCCCC1 34a_100000210473_100011215416 [0,2,0,1,0,0|1,0,0]=4 50311 B12R1.27 CCC(C)NCC1CCCCO1 2230a_100000174945_100000758301 [0,2,0,1,0,0|0,0,0]=3 50312 B12R1.27 CCC(C)NCC1CCCCO1 2230a_100000209981_100000211543 [0,2,0,1,0,0|0,0,0]=3 50313 B12R1.27 CCC(C)NCC1CCCCO1 34a_100000174945_100011215416 [0,2,0,1,0,0|0,0,0]=3 50314 B12R1.27 CCC(C)NC[C@H]1COCCO1 2230a_100010981119_100000758301 [0,2,0,1,0,0|1,0,0]=4 50315 B12R1.27 CCC(C)NC[C@H]1COCCO1 34a_100010981119_100011215416 [0,2,0,1,0,0|1,0,0]=4 50316 B12R1.27 CCC(C)OCC1CCCCC1 34a_100000212181_100011215416 [0,2,0,1,0,0|1,0,0]=4 50317 B12R1.27 CCC(C)OCC1CCCCC1 7a_100000210228_100000211423 [0,2,0,1,0,0|1,0,0]=4 50318 B12R1.27 CCC(C)OCC1CCCCC1 7a_100000212181_100000758301 [0,2,0,1,0,0|1,0,0]=4 50319 B12R1.27 CCC(C)OCC1CCCCN1 34a_100000210821_100011215416 [0,2,0,1,0,0|1,0,0]=4 50320 B12R1.27 CCC(C)OCC1CCCCO1 34a_100000211370_100011215416 [0,2,0,1,0,0|0,0,0]=3 50321 B12R1.27 CCC(C)OCC1CCCCO1 7a_100000210228_100000211543 [0,2,0,1,0,0|0,0,0]=3 50322 B12R1.27 CCC(C)OCC1CCCCO1 7a_100000211370_100000758301 [0,2,0,1,0,0|0,0,0]=3 50323 B12R1.27 CCC(C)OC[C@@H]1CNCCO1 34a_100015189573_100011215416 [0,2,0,1,0,0|1,0,0]=4 50324 B12R1.27 CCC(C)OC[C@H]1COCCO1 34a_100009875890_100011215416 [0,2,0,1,0,0|1,0,0]=4 50325 B12R1.27 CCC(C)SCC1CCCCC1 62a_100000211423_100000758301 [0,2,0,1,0,0|1,0,0]=4 50326 B12R1.27 CCC(C)SCC1CCCCC1 62a_100000758301_100000211423 [0,2,0,1,0,0|1,0,0]=4 50327 B12R1.27 CCC(C)SCC1CCCCO1 62a_100000211543_100000758301 [0,2,0,1,0,0|0,0,0]=3 50328 B12R1.27 CCC(C)SCC1CCCCO1 62a_100000758301_100000211543 [0,2,0,1,0,0|0,0,0]=3 50329 B12R1.27 CCC(O)CNC1CCCCC1 2230a_100000182618_100011218378 [0,2,0,1,0,0|1,0,0]=4 50330 B12R1.27 CCC(O)CNC1CCCCC1 270004a_100011218483_100000210434 [0,2,0,1,0,0|1,0,0]=4 50331 B12R1.27 CCC(O)CNC1CCCCC1 34a_100000182618_100011218378 [0,2,0,1,0,0|1,0,0]=4 50332 B12R1.27 CCC(O)CNC1CCCOC1 2230a_100000719290_100011218378 [0,2,0,1,0,0|1,0,0]=4 50333 B12R1.27 CCC(O)CNC1CCCOC1 270004a_100011218483_100000753404 [0,2,0,1,0,0|1,0,0]=4 50334 B12R1.27 CCC(O)CNC1CCCOC1 34a_100000719290_100011218378 [0,2,0,1,0,0|1,0,0]=4 50335 B12R1.27 CCC(O)CNC1CCCSC1 270004a_100011218483_100000057913 [0,2,0,1,0,0|1,0,0]=4 50336 B12R1.27 CCC(O)CNC1CCNCC1 270004a_100011218483_100015192401 [0,2,0,1,0,0|1,0,0]=4 50337 B12R1.27 CCC(O)CNC1CCOCC1 2230a_100000741149_100011218378 [0,2,0,1,0,0|1,0,0]=4 50338 B12R1.27 CCC(O)CNC1CCOCC1 270004a_100011218483_100011217826 [0,2,0,1,0,0|1,0,0]=4 50339 B12R1.27 CCC(O)CNC1CCOCC1 34a_100000741149_100011218378 [0,2,0,1,0,0|1,0,0]=4 50340 B12R1.27 CCC(O)CNC1CCSCC1 2230a_100000748639_100011218378 [0,2,0,1,0,0|1,0,0]=4 50341 B12R1.27 CCC(O)CNC1CCSCC1 270004a_100011218483_100000203788 [0,2,0,1,0,0|1,0,0]=4 50342 B12R1.27 CCC(O)CNC1CCSCC1 34a_100000748639_100011218378 [0,2,0,1,0,0|1,0,0]=4 50343 B12R1.27 CCC(O)COC1C=CCCC1 34a_100011215024_100011218378 [0,2,0,1,0,0|0,0,1]=4 50344 B12R1.27 CCC(O)COC1CC=CCC1 34a_100000073881_100011218378 [0,2,0,1,0,0|0,0,1]=4 50345 B12R1.27 CCC(O)COC1CCCCC1 34a_100000210231_100011218378 [0,2,0,1,0,0|0,0,0]=3 50346 B12R1.27 CCC(O)COC1CCCCC1 7a_100000210231_100011218378 [0,2,0,1,0,0|0,0,0]=3 50347 B12R1.27 CCC(O)COC1CCCCO1 34a_100000033831_100011218378 [0,2,0,1,0,0|0,0,0]=3 50348 B12R1.27 CCC(O)COC1CCCOC1 34a_100000754041_100011218378 [0,2,0,1,0,0|0,0,0]=3 50349 B12R1.27 CCC(O)COC1CCCSC1 7a_100015962668_100011218378 [0,2,0,1,0,0|0,0,0]=3 50350 B12R1.27 CCC(O)COC1CCOCC1 34a_100000744328_100011218378 [0,2,0,1,0,0|0,0,0]=3 50351 B12R1.27 CCC(O)COC1CCSCC1 34a_100000731022_100011218378 [0,2,0,1,0,0|0,0,0]=3 50352 B12R1.27 CCC(O)COC1CCSCC1 7a_100000731022_100011218378 [0,2,0,1,0,0|0,0,0]=3 50353 B12R1.27 CCC(O)CSC1CCCCC1 62a_100000210327_100011218378 [0,2,0,1,0,0|0,1,0]=4 50354 B12R1.27 CCC(O)CSC1CCCCC1 62a_100011218378_100000210327 [0,2,0,1,0,0|0,1,0]=4 50355 B12R1.27 CCC(O)CSC1CCCOC1 62a_100011218378_100000693364 [0,2,0,1,0,0|0,1,0]=4 50356 B12R1.27 CCC(O)CSC1CCOCC1 62a_100011218378_100011324220 [0,2,0,1,0,0|0,1,0]=4 50357 B12R1.27 CCC(O)CSC1CCSCC1 62a_100011218378_100000069128 [0,2,0,1,0,0|0,1,0]=4 50358 B12R1.27 CCN(C)CCC1CCCCC1 2230a_100000225621_100012355289 [0,2,0,1,0,0|1,0,0]=4 50359 B12R1.27 CCN(C)CCC1CCCCC1 269982a_100000225621_100011273959 [0,2,0,1,0,0|1,0,0]=4 50360 B12R1.27 CCN(C)CCC1CCCCO1 2230a_100015183322_100000210202 [0,2,0,1,0,0|0,0,0]=3 50361 B12R1.27 CCN(C)CCC1CCCCO1 269982a_100015183322_100000204670 [0,2,0,1,0,0|0,0,0]=3 50362 B12R1.27 CCN(C)CCC1CCCCO1 34a_100015183322_100000210202 [0,2,0,1,0,0|0,0,0]=3 50363 B12R1.27 CCN(C)CCC1OCCCO1 2230a_100000225621_100000764188 [0,2,0,1,0,0|1,0,0]=4 50364 B12R1.27 CCN(C)CCC1OCCCO1 269982a_100000225621_100000764188 [0,2,0,1,0,0|1,0,0]=4 50365 B12R1.27 CCN(C)CCN1CCCCC1 2230a_100000225621_100000739454 [0,2,0,1,0,0|1,0,0]=4 50366 B12R1.27 CCN(C)CCN1CCCCC1 2230a_100000226107_200000210301 [0,2,0,1,0,0|1,0,0]=4 50367 B12R1.27 CCN(C)CCN1CCCCC1 269982a_100000225621_100000739454 [0,2,0,1,0,0|1,0,0]=4 50368 B12R1.27 CCN(C)CCN1CCCCC1 269982a_100000226107_200000210301 [0,2,0,1,0,0|1,0,0]=4 50369 B12R1.27 CCN(C)COC1CCCCC1 2230a_100000225621_100011935260 [0,2,0,1,0,0|1,0,0]=4 50370 B12R1.27 CCN(C)COC1CCCCC1 269982a_100000225621_100011935260 [0,2,0,1,0,0|1,0,0]=4 50371 B12R1.27 CCN([13CH3])CCN1CCCCC1 2230a_100000226107_200025704644 [0,2,0,1,0,0|1,0,0]=4 50372 B12R1.27 CCN([13CH3])CCN1CCCCC1 269982a_100000226107_200025704644 [0,2,0,1,0,0|1,0,0]=4 50373 B12R1.27 CC[C@H](C)CNC1CCCCC1 2230a_100000182618_100009816398 [0,2,0,1,0,0|1,0,0]=4 50374 B12R1.27 CC[C@H](C)CNC1CCCCC1 34a_100000182618_100009816398 [0,2,0,1,0,0|1,0,0]=4 50375 B12R1.27 CC[C@H](C)CNC1CCCOC1 2230a_100000719290_100009816398 [0,2,0,1,0,0|1,0,0]=4 50376 B12R1.27 CC[C@H](C)CNC1CCCOC1 34a_100000719290_100009816398 [0,2,0,1,0,0|1,0,0]=4 50377 B12R1.27 CC[C@H](C)CNC1CCOCC1 2230a_100000741149_100009816398 [0,2,0,1,0,0|1,0,0]=4 50378 B12R1.27 CC[C@H](C)CNC1CCOCC1 34a_100000741149_100009816398 [0,2,0,1,0,0|1,0,0]=4 50379 B12R1.27 CC[C@H](C)CNC1CCSCC1 2230a_100000748639_100009816398 [0,2,0,1,0,0|1,0,0]=4 50380 B12R1.27 CC[C@H](C)CNC1CCSCC1 34a_100000748639_100009816398 [0,2,0,1,0,0|1,0,0]=4 50381 B12R1.27 CC[C@H](C)COC1C=CCCC1 34a_100011215024_100009816398 [0,2,0,1,0,0|0,0,1]=4 50382 B12R1.27 CC[C@H](C)COC1C=CCCC1 7a_100009816381_100000751183 [0,2,0,1,0,0|0,0,1]=4 50383 B12R1.27 CC[C@H](C)COC1CC=CCC1 34a_100000073881_100009816398 [0,2,0,1,0,0|0,0,1]=4 50384 B12R1.27 CC[C@H](C)COC1CCCCC1 34a_100000210231_100009816398 [0,2,0,1,0,0|0,0,0]=3 50385 B12R1.27 CC[C@H](C)COC1CCCCC1 7a_100000210231_100009816398 [0,2,0,1,0,0|0,0,0]=3 50386 B12R1.27 CC[C@H](C)COC1CCCCC1 7a_100009816381_100000210327 [0,2,0,1,0,0|0,0,0]=3 50387 B12R1.27 CC[C@H](C)COC1CCCCO1 34a_100000033831_100009816398 [0,2,0,1,0,0|0,0,0]=3 50388 B12R1.27 CC[C@H](C)COC1CCCOC1 34a_100000754041_100009816398 [0,2,0,1,0,0|0,0,0]=3 50389 B12R1.27 CC[C@H](C)COC1CCCOC1 7a_100009816381_100000693364 [0,2,0,1,0,0|0,0,0]=3 50390 B12R1.27 CC[C@H](C)COC1CCCSC1 7a_100015962668_100009816398 [0,2,0,1,0,0|0,0,0]=3 50391 B12R1.27 CC[C@H](C)COC1CCOCC1 34a_100000744328_100009816398 [0,2,0,1,0,0|0,0,0]=3 50392 B12R1.27 CC[C@H](C)COC1CCOCC1 7a_100009816381_100000686592 [0,2,0,1,0,0|0,0,0]=3 50393 B12R1.27 CC[C@H](C)COC1CCSCC1 34a_100000731022_100009816398 [0,2,0,1,0,0|0,0,0]=3 50394 B12R1.27 CC[C@H](C)COC1CCSCC1 7a_100000731022_100009816398 [0,2,0,1,0,0|0,0,0]=3 50395 B12R1.27 CC[C@H](C)COC1CCSCC1 7a_100009816381_100011500858 [0,2,0,1,0,0|0,0,0]=3 50396 B12R1.27 CC[C@H](C)CSC1CCCCC1 62a_100000210327_100009816398 [0,2,0,1,0,0|0,1,0]=4 50397 B12R1.27 CC[C@H](C)CSC1CCCCC1 62a_100009816398_100000210327 [0,2,0,1,0,0|0,1,0]=4 50398 B12R1.27 CC[C@H](C)CSC1CCCOC1 62a_100009816398_100000693364 [0,2,0,1,0,0|0,1,0]=4 50399 B12R1.27 CC[C@H](C)CSC1CCOCC1 62a_100009816398_100011324220 [0,2,0,1,0,0|0,1,0]=4 50400 B12R1.27 CC[C@H](C)CSC1CCSCC1 62a_100009816398_100000069128 [0,2,0,1,0,0|0,1,0]=4 50401 B12R1.27 CN(CF)CCC1CCCCO1 269982a_100015183322_100015361967 [0,2,0,1,0,0|1,0,0]=4 50402 B12R1.27 CN(CF)CCC1CCCCO1 34a_100015183322_100015361967 [0,2,0,1,0,0|1,0,0]=4 50403 B12R1.27 CNC(C)CCN1CCCCC1 270004a_106832991635_100000727156 [0,2,0,1,0,0|1,0,0]=4 50404 B12R1.27 COC(C)COC1CCCCC1 34a_100000690652_100000210327 [0,2,0,1,0,0|1,0,0]=4 50405 B12R1.27 COC(C)COC1CCCOC1 34a_100000690652_100000693364 [0,2,0,1,0,0|1,0,0]=4 50406 B12R1.27 COC(C)COC1CCSCC1 34a_100000690652_100000069128 [0,2,0,1,0,0|1,0,0]=4 50407 B12R1.27 COC(C)SCC1CCCCO1 62a_100000211543_100009879195 [0,2,0,1,0,0|1,0,0]=4 50408 B12R1.27 COC(C)SCC1CCCCO1 62a_100009879195_100000211543 [0,2,0,1,0,0|1,0,0]=4 50409 B12R1.27 C[C@@H](CO)COC1CCCCC1 34a_100000210231_100000059175 [0,2,0,1,0,0|1,0,0]=4 50410 B12R1.27 C[C@@H](CO)COC1CCCCC1 7a_100000210231_100000059175 [0,2,0,1,0,0|1,0,0]=4 50411 B12R1.27 C[C@@H](CO)COC1CCCCO1 34a_100000033831_100000059175 [0,2,0,1,0,0|1,0,0]=4 50412 B12R1.27 C[C@@H](CO)COC1CCCOC1 34a_100000754041_100000059175 [0,2,0,1,0,0|1,0,0]=4 50413 B12R1.27 C[C@@H](CO)COC1CCCSC1 7a_100015962668_100000059175 [0,2,0,1,0,0|1,0,0]=4 50414 B12R1.27 C[C@@H](CO)COC1CCOCC1 34a_100000744328_100000059175 [0,2,0,1,0,0|1,0,0]=4 50415 B12R1.27 C[C@@H](CO)COC1CCSCC1 34a_100000731022_100000059175 [0,2,0,1,0,0|1,0,0]=4 50416 B12R1.27 C[C@@H](CO)COC1CCSCC1 7a_100000731022_100000059175 [0,2,0,1,0,0|1,0,0]=4 50417 B12R1.27 C[C@H](CO)NCC1CCCCO1 2230a_100000737577_100000211543 [0,2,0,1,0,0|1,0,0]=4 50418 B12R1.27 C[C@H](CO)SCC1CCCCO1 62a_100000211543_100016084084 [0,2,0,1,0,0|1,0,0]=4 50419 B12R1.27 C[C@H](CO)SCC1CCCCO1 62a_100016084084_100000211543 [0,2,0,1,0,0|1,0,0]=4 50420 B12R1.27 ClCC(Cl)COC1CCCCC1 34a_100000033668_100000210327 [0,2,0,1,0,0|1,0,0]=4 50421 B12R1.27 ClCC(Cl)COC1CCCOC1 34a_100000033668_100000693364 [0,2,0,1,0,0|1,0,0]=4 50422 B12R1.27 ClCC(Cl)COC1CCSCC1 34a_100000033668_100000069128 [0,2,0,1,0,0|1,0,0]=4 50423 B12R1.27 NC[C@@H](F)COC1CCCCC1 34a_100015665980_100000210327 [0,2,0,1,0,0|1,0,0]=4 50424 B12R1.27 NC[C@@H](F)COC1CCCOC1 34a_100015665980_100000693364 [0,2,0,1,0,0|1,0,0]=4 50425 B12R1.27 NC[C@@H](F)COC1CCSCC1 34a_100015665980_100000069128 [0,2,0,1,0,0|1,0,0]=4 50426 B12R1.27 OCC(O)COC1CCCCC1 34a_100000210231_100011219619 [0,2,0,1,0,0|1,0,0]=4 50427 B12R1.27 OCC(O)COC1CCCCC1 7a_100000210231_100011219619 [0,2,0,1,0,0|1,0,0]=4 50428 B12R1.27 OCC(O)COC1CCCCO1 34a_100000033831_100011219619 [0,2,0,1,0,0|1,0,0]=4 50429 B12R1.27 OCC(O)COC1CCCOC1 34a_100000754041_100011219619 [0,2,0,1,0,0|1,0,0]=4 50430 B12R1.27 OCC(O)COC1CCCSC1 7a_100015962668_100011219619 [0,2,0,1,0,0|1,0,0]=4 50431 B12R1.27 OCC(O)COC1CCOCC1 34a_100000744328_100011219619 [0,2,0,1,0,0|1,0,0]=4 50432 B12R1.27 OCC(O)COC1CCSCC1 34a_100000731022_100011219619 [0,2,0,1,0,0|1,0,0]=4 50433 B12R1.27 OCC(O)COC1CCSCC1 7a_100000731022_100011219619 [0,2,0,1,0,0|1,0,0]=4 50434 B12R1.27 OC[C@H](O)COC1CCCCC1 34a_100000210231_100009815848 [0,2,0,1,0,0|1,0,0]=4 50435 B12R1.27 OC[C@H](O)COC1CCCCC1 7a_100000210231_100009815848 [0,2,0,1,0,0|1,0,0]=4 50436 B12R1.27 OC[C@H](O)COC1CCCCO1 34a_100000033831_100009815848 [0,2,0,1,0,0|1,0,0]=4 50437 B12R1.27 OC[C@H](O)COC1CCCOC1 34a_100000754041_100009815848 [0,2,0,1,0,0|1,0,0]=4 50438 B12R1.27 OC[C@H](O)COC1CCCSC1 7a_100015962668_100009815848 [0,2,0,1,0,0|1,0,0]=4 50439 B12R1.27 OC[C@H](O)COC1CCOCC1 34a_100000744328_100009815848 [0,2,0,1,0,0|1,0,0]=4 50440 B12R1.27 OC[C@H](O)COC1CCSCC1 34a_100000731022_100009815848 [0,2,0,1,0,0|1,0,0]=4 50441 B12R1.27 OC[C@H](O)COC1CCSCC1 7a_100000731022_100009815848 [0,2,0,1,0,0|1,0,0]=4 50442 B12R1.27 O[C@@H](CF)COC1CCCCC1 34a_100000210231_100015614560 [0,2,0,1,0,0|1,0,0]=4 50443 B12R1.27 O[C@@H](CF)COC1CCCCC1 7a_100000210231_100015614560 [0,2,0,1,0,0|1,0,0]=4 50444 B12R1.27 O[C@@H](CF)COC1CCCCO1 34a_100000033831_100015614560 [0,2,0,1,0,0|1,0,0]=4 50445 B12R1.27 O[C@@H](CF)COC1CCCOC1 34a_100000754041_100015614560 [0,2,0,1,0,0|1,0,0]=4 50446 B12R1.27 O[C@@H](CF)COC1CCCSC1 7a_100015962668_100015614560 [0,2,0,1,0,0|1,0,0]=4 50447 B12R1.27 O[C@@H](CF)COC1CCOCC1 34a_100000744328_100015614560 [0,2,0,1,0,0|1,0,0]=4 50448 B12R1.27 O[C@@H](CF)COC1CCSCC1 34a_100000731022_100015614560 [0,2,0,1,0,0|1,0,0]=4 50449 B12R1.27 O[C@@H](CF)COC1CCSCC1 7a_100000731022_100015614560 [0,2,0,1,0,0|1,0,0]=4 50450 B12R1.77 C#CC(C)N1CCOC[C@@H]1CC 34a_100016988097_200000035995 [0,2,0,1,0,0|1,0,0]=4 50451 B12R1.77 C=CC(C)N1CCOC[C@@H]1CC 269982a_100016988097_100011215867 [0,2,0,1,0,0|1,0,0]=4 50452 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 11a_100016988097_100000210414 [0,2,0,1,0,0|0,0,1]=4 50453 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 1626a_100016988097_100000210414 [0,2,0,1,0,0|0,0,1]=4 50454 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 240690a_100016988097_100000210414 [0,2,0,1,0,0|0,0,1]=4 50455 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 527a_100016988097_100000210414 [0,2,0,1,0,0|0,0,1]=4 50456 B12R1.77 CCC(C)C1CCCCC1NC 269862a_106832991636_100011216798 [0,2,0,1,0,0|1,0,0]=4 50457 B12R1.77 CCC(C)N1CCCCC1CC 2230a_100000210034_100000758301 [0,2,0,1,0,0|1,0,0]=4 50458 B12R1.77 CCC(C)N1CCCCC1CC 269982a_100000210034_100000758301 [0,2,0,1,0,0|1,0,0]=4 50459 B12R1.77 CCC(C)N1CCCCC1CC 34a_100000210034_100011215416 [0,2,0,1,0,0|1,0,0]=4 50460 B12R1.77 CCC(C)N1CCOC[C@@H]1CC 2230a_100016988097_100000758301 [0,2,0,1,0,0|0,0,0]=3 50461 B12R1.77 CCC(C)N1CCOC[C@@H]1CC 269982a_100016988097_100000758301 [0,2,0,1,0,0|0,0,0]=3 50462 B12R1.77 CCC(C)N1CCOC[C@@H]1CC 34a_100016988097_100011215416 [0,2,0,1,0,0|0,0,0]=3 50463 B12R1.77 CCC(C)N1CCOC[C@H]1CO 2230a_100000717676_100000758301 [0,2,0,1,0,0|1,0,0]=4 50464 B12R1.77 CCC(C)N1CCOC[C@H]1CO 269982a_100000717676_100000758301 [0,2,0,1,0,0|1,0,0]=4 50465 B12R1.77 CCC(C)N1CCOC[C@H]1CO 34a_100000717676_100011215416 [0,2,0,1,0,0|1,0,0]=4 50466 B12R1.77 CC[C@H]1COCCN1C(C)C#N 2230a_100016988097_100000184139 [0,2,0,1,0,0|1,0,0]=4 50467 B12R1.77 CC[C@H]1COCCN1C(C)C#N 269982a_100016988097_100000703298 [0,2,0,1,0,0|1,0,0]=4 50468 B12R1.77 CC[C@H]1COCCN1C(C)CO 2230a_100016988097_100012180447 [0,2,0,1,0,0|1,0,0]=4 50469 B12R1.77 CC[C@H]1COCCN1C(C)CO 34a_100016988097_100012180447 [0,2,0,1,0,0|1,0,0]=4 50470 B12R1.77 CC[C@H]1COCCN1C(C)OC 269982a_100016988097_100009879195 [0,2,0,1,0,0|1,0,0]=4 50471 B12R1.77 CC[C@H]1COCCN1[C@H](C)CO 269982a_100016988097_100016084084 [0,2,0,1,0,0|1,0,0]=4 50472 B12R1.82 CCC(C)CN1CCCC1CC 2230a_100000754278_100000748023 [0,2,0,1,0,0|1,0,0]=4 50473 B12R1.82 CCC(C)CN1CCCC1CC 269982a_100000754278_100000748023 [0,2,0,1,0,0|1,0,0]=4 50474 B12R1.82 CCC(C)CN1CCCC1CC 270004a_100000754278_100000243153 [0,2,0,1,0,0|1,0,0]=4 50475 B12R1.82 CCC(C)CN1CCCC1CC 34a_100000754278_100000748023 [0,2,0,1,0,0|1,0,0]=4 50476 B12R1.82 CCC(C)CN1CCC[C@@H]1CO 2230a_100000745186_100000748023 [0,2,0,1,0,0|1,0,0]=4 50477 B12R1.82 CCC(C)CN1CCC[C@@H]1CO 269982a_100000745186_100000748023 [0,2,0,1,0,0|1,0,0]=4 50478 B12R1.82 CCC(C)CN1CCC[C@@H]1CO 270004a_100000745186_100000243153 [0,2,0,1,0,0|1,0,0]=4 50479 B12R1.82 CCC(C)CN1CCC[C@@H]1CO 34a_100000745186_100000748023 [0,2,0,1,0,0|1,0,0]=4 50480 B12R1.82 CCC(C)NC1CCCC1CC 269862a_100000209981_100000749056 [0,2,0,1,0,0|1,0,0]=4 50481 B12R1.82 CCC(C)NC1CCCC1CC 270004a_100000209981_100000749056 [0,2,0,1,0,0|1,0,0]=4 50482 B12R1.82 CCC(O)CN1CCCC1CC 2230a_100000754278_100011218378 [0,2,0,1,0,0|1,0,0]=4 50483 B12R1.82 CCC(O)CN1CCCC1CC 269982a_100000754278_100011218378 [0,2,0,1,0,0|1,0,0]=4 50484 B12R1.82 CCC(O)CN1CCCC1CC 34a_100000754278_100011218378 [0,2,0,1,0,0|1,0,0]=4 50485 B12R1.82 CCC(O)CN1CCC[C@@H]1CO 2230a_100000745186_100011218378 [0,2,0,1,0,0|1,0,0]=4 50486 B12R1.82 CCC(O)CN1CCC[C@@H]1CO 269982a_100000745186_100011218378 [0,2,0,1,0,0|1,0,0]=4 50487 B12R1.82 CCC(O)CN1CCC[C@@H]1CO 34a_100000745186_100011218378 [0,2,0,1,0,0|1,0,0]=4 50488 B12R1.82 CCC1CCCN1C[C@@H](C)CC 2230a_100000754278_100009816398 [0,2,0,1,0,0|1,0,0]=4 50489 B12R1.82 CCC1CCCN1C[C@@H](C)CC 269982a_100000754278_100009816398 [0,2,0,1,0,0|1,0,0]=4 50490 B12R1.82 CCC1CCCN1C[C@@H](C)CC 34a_100000754278_100009816398 [0,2,0,1,0,0|1,0,0]=4 50491 B12R1.82 CC[C@H](C)CN1CCC[C@@H]1CO 2230a_100000745186_100009816398 [0,2,0,1,0,0|1,0,0]=4 50492 B12R1.82 CC[C@H](C)CN1CCC[C@@H]1CO 269982a_100000745186_100009816398 [0,2,0,1,0,0|1,0,0]=4 50493 B12R1.82 CC[C@H](C)CN1CCC[C@@H]1CO 34a_100000745186_100009816398 [0,2,0,1,0,0|1,0,0]=4 50494 B12R1.163 CCC(C)CN1CCC1COC 2230a_100015195929_100000748023 [0,2,0,1,0,0|1,0,0]=4 50495 B12R1.163 CCC(C)CN1CCC1COC 269982a_100015195929_100000748023 [0,2,0,1,0,0|1,0,0]=4 50496 B12R1.163 CCC(C)CN1CCC1COC 270004a_100015195929_100000243153 [0,2,0,1,0,0|1,0,0]=4 50497 B12R1.163 CCC(C)CN1CCC1COC 34a_100015195929_100000748023 [0,2,0,1,0,0|1,0,0]=4 50498 B12R1.163 CCC(O)CN1CCC1COC 2230a_100015195929_100011218378 [0,2,0,1,0,0|1,0,0]=4 50499 B12R1.163 CCC(O)CN1CCC1COC 269982a_100015195929_100011218378 [0,2,0,1,0,0|1,0,0]=4 50500 B12R1.163 CCC(O)CN1CCC1COC 34a_100015195929_100011218378 [0,2,0,1,0,0|1,0,0]=4 50501 B12R1.163 CC[C@H](C)CN1CCC1COC 2230a_100015195929_100009816398 [0,2,0,1,0,0|1,0,0]=4 50502 B12R1.163 CC[C@H](C)CN1CCC1COC 269982a_100015195929_100009816398 [0,2,0,1,0,0|1,0,0]=4 50503 B12R1.163 CC[C@H](C)CN1CCC1COC 34a_100015195929_100009816398 [0,2,0,1,0,0|1,0,0]=4 50504 B12R1.271 C#CCCCCOCC1CC1C 34a_100000744939_100010269958 [0,2,0,1,0,0|0,0,0]=3 50505 B12R1.271 C#CCCCCOCC1CC1C 7a_100000744939_100010269958 [0,2,0,1,0,0|0,0,0]=3 50506 B12R1.271 C#CCOCCOCC1CC1C 34a_100000744939_100010402529 [0,2,0,1,0,0|0,0,1]=4 50507 B12R1.271 C#CCOCCOCC1CC1C 7a_100000744939_100010402529 [0,2,0,1,0,0|0,0,1]=4 50508 B12R1.271 C=CCCCCOCC1CC1C 34a_100000744939_100011215482 [0,2,0,1,0,0|0,0,0]=3 50509 B12R1.271 C=CCCCCOCC1CC1C 7a_100000744939_100011215482 [0,2,0,1,0,0|0,0,0]=3 50510 B12R1.271 CC/C=C\CCOCC1CC1C 34a_100000744939_100015370543 [0,2,0,1,0,0|0,0,0]=3 50511 B12R1.271 CC/C=C\CCOCC1CC1C 7a_100000744939_100015370543 [0,2,0,1,0,0|0,0,0]=3 50512 B12R1.271 CC1CC1COCCCCC#N 7a_100000744939_100000211819 [0,2,0,1,0,0|0,0,0]=3 50513 B12R1.271 CC1CC1COCCCCC=O 7a_100000744939_100000139335 [0,2,0,1,0,0|0,0,0]=3 50514 B12R1.271 CC1CC1COCCCCCF 34a_100000744939_100000729378 [0,2,0,1,0,0|0,0,0]=3 50515 B12R1.271 CC1CC1COCCCCCF 7a_100000744939_100000729378 [0,2,0,1,0,0|0,0,0]=3 50516 B12R1.271 CC1CC1COCCCCCO 34a_100000744939_100000746330 [0,2,0,1,0,0|0,0,0]=3 50517 B12R1.271 CC1CC1COCCCCCO 7a_100000744939_100000746330 [0,2,0,1,0,0|0,0,0]=3 50518 B12R1.271 CC1CC1COCCOCC#N 7a_100000744939_200000047693 [0,2,0,1,0,0|0,0,1]=4 50519 B12R1.271 CC1CC1COCCOCCO 34a_100000744939_100000692535 [0,2,0,1,0,0|0,0,0]=3 50520 B12R1.271 CC1CC1COCCOCCO 7a_100000744939_100011215305 [0,2,0,1,0,0|0,0,0]=3 50521 B12R1.271 CCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210681 [0,2,0,1,0,0|1,0,0]=4 50522 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210681 [0,2,0,1,0,0|1,0,0]=4 50523 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210614 [0,2,0,1,0,0|1,0,0]=4 50524 B12R1.271 CCCCCCOCC1CC1C 34a_100000744939_100000210314 [0,2,0,1,0,0|0,0,0]=3 50525 B12R1.271 CCCCCCOCC1CC1C 7a_100000744939_100000210314 [0,2,0,1,0,0|0,0,0]=3 50526 B12R1.271 CCCCOCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000743108 [0,2,0,1,0,0|0,0,0]=3 50527 B12R1.271 CCCCOCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000743108 [0,2,0,1,0,0|0,0,0]=3 50528 B12R1.271 CCCCOCCN[C@@H]1C[C@H]1F 34a_100025746932_100000743108 [0,2,0,1,0,0|0,0,0]=3 50529 B12R1.271 CCCCOCOCC1CC1C 34a_100000744939_100011995733 [0,2,0,1,0,0|0,0,0]=3 50530 B12R1.271 CCCOCCOCC1CC1C 34a_100000744939_100011215938 [0,2,0,1,0,0|0,0,0]=3 50531 B12R1.271 CCCOCCOCC1CC1C 7a_100000744939_100011215938 [0,2,0,1,0,0|0,0,0]=3 50532 B12R1.271 CCOCCCOCC1CC1C 34a_100000744939_100012232248 [0,2,0,1,0,0|0,0,0]=3 50533 B12R1.271 CCOCCCOCC1CC1C 7a_100000744939_100012232248 [0,2,0,1,0,0|0,0,0]=3 50534 B12R1.271 COCCCCOCC1CC1C 34a_100000744939_100000755781 [0,2,0,1,0,0|0,0,0]=3 50535 B12R1.271 COCCCCOCC1CC1C 7a_100000744939_100000730899 [0,2,0,1,0,0|0,0,0]=3 50536 B12R1.271 COCCOCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000695917 [0,2,0,1,0,0|1,0,0]=4 50537 B12R1.271 COCCOCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000695917 [0,2,0,1,0,0|1,0,0]=4 50538 B12R1.271 COCCOCCN[C@@H]1C[C@H]1F 34a_100025746932_100000695917 [0,2,0,1,0,0|1,0,0]=4 50539 B12R1.272 BrCCCCCCOC1CCC1 34a_100011215345_100000749161 [0,2,0,1,0,0|0,0,0]=3 50540 B12R1.272 BrCCCCCCOC1COC1 34a_100011215345_100009818527 [0,2,0,1,0,0|1,0,0]=4 50541 B12R1.272 BrCCCCCCOC1COC1 7a_100011215345_100009818527 [0,2,0,1,0,0|1,0,0]=4 50542 B12R1.272 BrCCCCCOCC1CCC1 34a_100000746331_100000763275 [0,2,0,1,0,0|0,0,0]=3 50543 B12R1.272 BrCCCCCOCC1CCC1 7a_100000746331_100000763275 [0,2,0,1,0,0|0,0,0]=3 50544 B12R1.272 BrCCCCCOCC1CCO1 34a_100000746331_100000103362 [0,2,0,1,0,0|0,0,0]=3 50545 B12R1.272 BrCCCCCOCC1CCO1 7a_100000746331_100000103362 [0,2,0,1,0,0|0,0,0]=3 50546 B12R1.272 BrCCCCCOCC1COC1 34a_100000746331_100010264016 [0,2,0,1,0,0|0,0,0]=3 50547 B12R1.272 BrCCCCCOCC1COC1 7a_100000746331_100010264016 [0,2,0,1,0,0|0,0,0]=3 50548 B12R1.272 BrCCOCCOCC1CCC1 34a_100000692535_100000763275 [0,2,0,1,0,0|0,0,0]=3 50549 B12R1.272 BrCCOCCOCC1CCC1 7a_100000692535_100000763275 [0,2,0,1,0,0|0,0,0]=3 50550 B12R1.272 BrCCOCCOCC1CCO1 34a_100000692535_100000103362 [0,2,0,1,0,0|1,0,0]=4 50551 B12R1.272 BrCCOCCOCC1CCO1 7a_100000692535_100000103362 [0,2,0,1,0,0|1,0,0]=4 50552 B12R1.272 BrCCOCCOCC1COC1 34a_100000692535_100010264016 [0,2,0,1,0,0|1,0,0]=4 50553 B12R1.272 BrCCOCCOCC1COC1 7a_100000692535_100010264016 [0,2,0,1,0,0|1,0,0]=4 50554 B12R1.272 C#CCCCCCNC1CCC1 2230a_100000749019_100012094781 [0,2,0,1,0,0|1,0,0]=4 50555 B12R1.272 C#CCCCCCNC1CCC1 34a_100000749019_100012094781 [0,2,0,1,0,0|1,0,0]=4 50556 B12R1.272 C#CCCCCCOC1CCC1 34a_100000748187_100012094781 [0,2,0,1,0,0|0,0,0]=3 50557 B12R1.272 C#CCCCCCOC1CCC1 34a_100000766912_100000749161 [0,2,0,1,0,0|0,0,0]=3 50558 B12R1.272 C#CCCCCCOC1COC1 34a_100000766912_100009818527 [0,2,0,1,0,0|1,0,0]=4 50559 B12R1.272 C#CCCCCCOC1COC1 7a_100000766912_100009818527 [0,2,0,1,0,0|1,0,0]=4 50560 B12R1.272 C#CCCCCCOC1CSC1 7a_100000072292_100012094781 [0,2,0,1,0,0|1,0,0]=4 50561 B12R1.272 C#CCCCCCSC1CCC1 62a_100012094781_100000749161 [0,2,0,1,0,0|0,1,0]=4 50562 B12R1.272 C#CCCCCNCC1CCC1 2230a_100000706060_100000763275 [0,2,0,1,0,0|1,0,0]=4 50563 B12R1.272 C#CCCCCNCC1CCC1 2230a_100000738700_100010269958 [0,2,0,1,0,0|1,0,0]=4 50564 B12R1.272 C#CCCCCNCC1CCC1 34a_100000706060_100000763275 [0,2,0,1,0,0|1,0,0]=4 50565 B12R1.272 C#CCCCCNCC1CCC1 34a_100000738700_100010269958 [0,2,0,1,0,0|1,0,0]=4 50566 B12R1.272 C#CCCCCOCC1CCC1 34a_100000760304_100010269958 [0,2,0,1,0,0|0,0,0]=3 50567 B12R1.272 C#CCCCCOCC1CCC1 34a_100000766709_100000763275 [0,2,0,1,0,0|0,0,0]=3 50568 B12R1.272 C#CCCCCOCC1CCC1 7a_100000766709_100000763275 [0,2,0,1,0,0|0,0,0]=3 50569 B12R1.272 C#CCCCCOCC1CCO1 34a_100000039022_100010269958 [0,2,0,1,0,0|0,0,1]=4 50570 B12R1.272 C#CCCCCOCC1CCO1 34a_100000766709_100000103362 [0,2,0,1,0,0|0,0,1]=4 50571 B12R1.272 C#CCCCCOCC1CCO1 7a_100000766709_100000103362 [0,2,0,1,0,0|0,0,1]=4 50572 B12R1.272 C#CCCCCOCC1CNC1 34a_100016987283_100010269958 [0,2,0,1,0,0|0,0,1]=4 50573 B12R1.272 C#CCCCCOCC1COC1 34a_100000060846_100010269958 [0,2,0,1,0,0|0,0,1]=4 50574 B12R1.272 C#CCCCCOCC1COC1 34a_100000766709_100010264016 [0,2,0,1,0,0|0,0,1]=4 50575 B12R1.272 C#CCCCCOCC1COC1 7a_100000766709_100010264016 [0,2,0,1,0,0|0,0,1]=4 50576 B12R1.272 C#CCCCCSCC1CCC1 62a_100000763275_100010269958 [0,2,0,1,0,0|0,1,0]=4 50577 B12R1.272 C#CCCCCSCC1CCC1 62a_100010269958_100000763275 [0,2,0,1,0,0|0,1,0]=4 50578 B12R1.272 C#CCCCOCCC1COC1 34a_100009855314_100000695029 [0,2,0,1,0,0|0,0,1]=4 50579 B12R1.272 C#CCOCCOCC1CCC1 34a_100000054580_100000763275 [0,2,0,1,0,0|0,0,1]=4 50580 B12R1.272 C#CCOCCOCC1CCC1 34a_100000760304_100010402529 [0,2,0,1,0,0|0,0,1]=4 50581 B12R1.272 C#CCOCCOCC1CCC1 7a_100000054580_100000763275 [0,2,0,1,0,0|0,0,1]=4 50582 B12R1.272 C=CCCCCCNC1CCC1 2230a_100000749019_100000700193 [0,2,0,1,0,0|1,0,0]=4 50583 B12R1.272 C=CCCCCCNC1CCC1 34a_100000749019_100000700193 [0,2,0,1,0,0|1,0,0]=4 50584 B12R1.272 C=CCCCCCOC1CCC1 34a_100000748187_100000700193 [0,2,0,1,0,0|0,0,0]=3 50585 B12R1.272 C=CCCCCCOC1CCC1 34a_100011216702_100000749161 [0,2,0,1,0,0|0,0,0]=3 50586 B12R1.272 C=CCCCCCOC1COC1 34a_100011216702_100009818527 [0,2,0,1,0,0|1,0,0]=4 50587 B12R1.272 C=CCCCCCOC1COC1 7a_100011216702_100009818527 [0,2,0,1,0,0|1,0,0]=4 50588 B12R1.272 C=CCCCCCOC1CSC1 7a_100000072292_100000700193 [0,2,0,1,0,0|1,0,0]=4 50589 B12R1.272 C=CCCCCCSC1CCC1 62a_100000700193_100000749161 [0,2,0,1,0,0|0,1,0]=4 50590 B12R1.272 C=CCCCCNCC1CCC1 2230a_100000703577_100000763275 [0,2,0,1,0,0|1,0,0]=4 50591 B12R1.272 C=CCCCCNCC1CCC1 2230a_100000738700_100011215482 [0,2,0,1,0,0|1,0,0]=4 50592 B12R1.272 C=CCCCCNCC1CCC1 269862a_100000703577_100000753134 [0,2,0,1,0,0|1,0,0]=4 50593 B12R1.272 C=CCCCCNCC1CCC1 34a_100000703577_100000763275 [0,2,0,1,0,0|1,0,0]=4 50594 B12R1.272 C=CCCCCNCC1CCC1 34a_100000738700_100011215482 [0,2,0,1,0,0|1,0,0]=4 50595 B12R1.272 C=CCCCCOCC1CCC1 34a_100000760304_100011215482 [0,2,0,1,0,0|0,0,0]=3 50596 B12R1.272 C=CCCCCOCC1CCC1 34a_100000766645_100000763275 [0,2,0,1,0,0|0,0,0]=3 50597 B12R1.272 C=CCCCCOCC1CCC1 7a_100000766645_100000763275 [0,2,0,1,0,0|0,0,0]=3 50598 B12R1.272 C=CCCCCOCC1CCO1 34a_100000039022_100011215482 [0,2,0,1,0,0|0,0,1]=4 50599 B12R1.272 C=CCCCCOCC1CCO1 34a_100000766645_100000103362 [0,2,0,1,0,0|0,0,1]=4 50600 B12R1.272 C=CCCCCOCC1CCO1 7a_100000766645_100000103362 [0,2,0,1,0,0|0,0,1]=4 50601 B12R1.272 C=CCCCCOCC1CNC1 34a_100016987283_100011215482 [0,2,0,1,0,0|0,0,1]=4 50602 B12R1.272 C=CCCCCOCC1COC1 34a_100000060846_100011215482 [0,2,0,1,0,0|0,0,1]=4 50603 B12R1.272 C=CCCCCOCC1COC1 34a_100000766645_100010264016 [0,2,0,1,0,0|0,0,1]=4 50604 B12R1.272 C=CCCCCOCC1COC1 7a_100000766645_100010264016 [0,2,0,1,0,0|0,0,1]=4 50605 B12R1.272 C=CCCCCSCC1CCC1 62a_100000763275_100011215482 [0,2,0,1,0,0|0,1,0]=4 50606 B12R1.272 C=CCCCCSCC1CCC1 62a_100011215482_100000763275 [0,2,0,1,0,0|0,1,0]=4 50607 B12R1.272 C=CCCCOCCC1COC1 34a_100009855314_100000757094 [0,2,0,1,0,0|0,0,1]=4 50608 B12R1.272 C=CCOCCOCC1CCC1 34a_100000037705_100000763275 [0,2,0,1,0,0|0,0,1]=4 50609 B12R1.272 C=CCOCCOCC1CCC1 7a_100000037705_100000763275 [0,2,0,1,0,0|0,0,1]=4 50610 B12R1.272 C=COCCCCOC1CCC1 34a_100000031558_100000749161 [0,2,0,1,0,0|0,0,1]=4 50611 B12R1.272 CC/C=C/CCCOC1CCC1 34a_100016287902_100000749161 [0,2,0,1,0,0|0,0,0]=3 50612 B12R1.272 CC/C=C/CCCOC1COC1 34a_100016287902_100009818527 [0,2,0,1,0,0|1,0,0]=4 50613 B12R1.272 CC/C=C/CCCOC1COC1 7a_100016287902_100009818527 [0,2,0,1,0,0|1,0,0]=4 50614 B12R1.272 CC/C=C\CCNCC1CCC1 2230a_100000738700_100015370543 [0,2,0,1,0,0|1,0,0]=4 50615 B12R1.272 CC/C=C\CCNCC1CCC1 34a_100000738700_100015370543 [0,2,0,1,0,0|1,0,0]=4 50616 B12R1.272 CC/C=C\CCOCC1CCC1 34a_100000760304_100015370543 [0,2,0,1,0,0|0,0,0]=3 50617 B12R1.272 CC/C=C\CCOCC1CCC1 34a_100016288707_100000763275 [0,2,0,1,0,0|0,0,0]=3 50618 B12R1.272 CC/C=C\CCOCC1CCC1 7a_100016288707_100000763275 [0,2,0,1,0,0|0,0,0]=3 50619 B12R1.272 CC/C=C\CCOCC1CCO1 34a_100000039022_100015370543 [0,2,0,1,0,0|0,0,1]=4 50620 B12R1.272 CC/C=C\CCOCC1CCO1 34a_100016288707_100000103362 [0,2,0,1,0,0|0,0,1]=4 50621 B12R1.272 CC/C=C\CCOCC1CCO1 7a_100016288707_100000103362 [0,2,0,1,0,0|0,0,1]=4 50622 B12R1.272 CC/C=C\CCOCC1CNC1 34a_100016987283_100015370543 [0,2,0,1,0,0|0,0,1]=4 50623 B12R1.272 CC/C=C\CCOCC1COC1 34a_100000060846_100015370543 [0,2,0,1,0,0|0,0,1]=4 50624 B12R1.272 CC/C=C\CCOCC1COC1 34a_100016288707_100010264016 [0,2,0,1,0,0|0,0,1]=4 50625 B12R1.272 CC/C=C\CCOCC1COC1 7a_100016288707_100010264016 [0,2,0,1,0,0|0,0,1]=4 50626 B12R1.272 CC/C=C\CCSCC1CCC1 62a_100000763275_100015370543 [0,2,0,1,0,0|0,1,0]=4 50627 B12R1.272 CC/C=C\CCSCC1CCC1 62a_100015370543_100000763275 [0,2,0,1,0,0|0,1,0]=4 50628 B12R1.272 CC/C=C\COCCC1COC1 34a_100009855314_100103147603 [0,2,0,1,0,0|0,0,1]=4 50629 B12R1.272 CC=C=CCCOCC1CCC1 34a_100011020354_100000763275 [0,2,0,1,0,0|0,0,1]=4 50630 B12R1.272 CC=CCCCOCC1CCC1 34a_100020645299_100000763275 [0,2,0,1,0,0|0,0,0]=3 50631 B12R1.272 CC=CCCCOCC1CCO1 34a_100020645299_100000103362 [0,2,0,1,0,0|0,0,1]=4 50632 B12R1.272 CC=CCCCOCC1COC1 34a_100020645299_100010264016 [0,2,0,1,0,0|0,0,1]=4 50633 B12R1.272 CCC#CCCOCC1CCC1 34a_100000036655_100000763275 [0,2,0,1,0,0|0,0,0]=3 50634 B12R1.272 CCC#CCCOCC1CCC1 7a_100000036655_100000763275 [0,2,0,1,0,0|0,0,0]=3 50635 B12R1.272 CCC#CCCOCC1CCO1 34a_100000036655_100000103362 [0,2,0,1,0,0|0,0,1]=4 50636 B12R1.272 CCC#CCCOCC1CCO1 7a_100000036655_100000103362 [0,2,0,1,0,0|0,0,1]=4 50637 B12R1.272 CCC#CCCOCC1COC1 34a_100000036655_100010264016 [0,2,0,1,0,0|0,0,1]=4 50638 B12R1.272 CCC#CCCOCC1COC1 7a_100000036655_100010264016 [0,2,0,1,0,0|0,0,1]=4 50639 B12R1.272 CCC#CCOCCC1COC1 34a_100009855314_100009813939 [0,2,0,1,0,0|0,0,1]=4 50640 B12R1.272 CCC/C=C/COCC1CCC1 34a_100016278788_100000763275 [0,2,0,1,0,0|0,0,0]=3 50641 B12R1.272 CCC/C=C/COCC1CCC1 7a_100016278788_100000763275 [0,2,0,1,0,0|0,0,0]=3 50642 B12R1.272 CCC/C=C/COCC1CCO1 34a_100016278788_100000103362 [0,2,0,1,0,0|0,0,1]=4 50643 B12R1.272 CCC/C=C/COCC1CCO1 7a_100016278788_100000103362 [0,2,0,1,0,0|0,0,1]=4 50644 B12R1.272 CCC/C=C/COCC1COC1 34a_100016278788_100010264016 [0,2,0,1,0,0|0,0,1]=4 50645 B12R1.272 CCC/C=C/COCC1COC1 7a_100016278788_100010264016 [0,2,0,1,0,0|0,0,1]=4 50646 B12R1.272 CCCC#CCCOC1CCC1 34a_100000042726_100000749161 [0,2,0,1,0,0|0,0,0]=3 50647 B12R1.272 CCCC#CCCOC1COC1 34a_100000042726_100009818527 [0,2,0,1,0,0|1,0,0]=4 50648 B12R1.272 CCCC#CCCOC1COC1 7a_100000042726_100009818527 [0,2,0,1,0,0|1,0,0]=4 50649 B12R1.272 CCCC#CCOCC1CCC1 34a_100000034806_100000763275 [0,2,0,1,0,0|0,0,0]=3 50650 B12R1.272 CCCC#CCOCC1CCC1 7a_100000034806_100000763275 [0,2,0,1,0,0|0,0,0]=3 50651 B12R1.272 CCCC#CCOCC1CCO1 34a_100000034806_100000103362 [0,2,0,1,0,0|0,0,1]=4 50652 B12R1.272 CCCC#CCOCC1CCO1 7a_100000034806_100000103362 [0,2,0,1,0,0|0,0,1]=4 50653 B12R1.272 CCCC#CCOCC1COC1 34a_100000034806_100010264016 [0,2,0,1,0,0|0,0,1]=4 50654 B12R1.272 CCCC#CCOCC1COC1 7a_100000034806_100010264016 [0,2,0,1,0,0|0,0,1]=4 50655 B12R1.272 CCCC/C=C/COC1CCC1 34a_200016272032_100000749161 [0,2,0,1,0,0|0,0,0]=3 50656 B12R1.272 CCCC/C=C/COC1COC1 34a_200016272032_100009818527 [0,2,0,1,0,0|1,0,0]=4 50657 B12R1.272 CCCC/C=C/COC1COC1 7a_200016272032_100009818527 [0,2,0,1,0,0|1,0,0]=4 50658 B12R1.272 CCCCC#CCOC1CCC1 34a_200000034558_100000749161 [0,2,0,1,0,0|0,0,0]=3 50659 B12R1.272 CCCCC#CCOC1COC1 34a_200000034558_100009818527 [0,2,0,1,0,0|1,0,0]=4 50660 B12R1.272 CCCCC#CCOC1COC1 7a_200000034558_100009818527 [0,2,0,1,0,0|1,0,0]=4 50661 B12R1.272 CCCCC=NNCC1CCC1 4a_200020586977_100000210104 [0,2,0,1,0,0|1,0,0]=4 50662 B12R1.272 CCCCCC#CCN1CCC1 269982a_100000754969_100009816472 [0,2,0,1,0,0|1,0,0]=4 50663 B12R1.272 CCCCCC=NNC1CCC1 4a_100000736358_100000737632 [0,2,0,1,0,0|1,0,0]=4 50664 B12R1.272 CCCCCCCCN1CCC1 269982a_100000754969_100000210759 [0,2,0,1,0,0|1,0,0]=4 50665 B12R1.272 CCCCCCCNC1CCC1 2230a_100000749019_100000210681 [0,2,0,1,0,0|1,0,0]=4 50666 B12R1.272 CCCCCCCNC1CCC1 270004a_100000229938_100000241760 [0,2,0,1,0,0|1,0,0]=4 50667 B12R1.272 CCCCCCCNC1CCC1 34a_100000749019_100000210614 [0,2,0,1,0,0|1,0,0]=4 50668 B12R1.272 CCCCCCCNC1COC1 2230a_100016991112_100000210681 [0,2,0,1,0,0|1,0,0]=4 50669 B12R1.272 CCCCCCCOC1CCC1 34a_100000210272_100000749161 [0,2,0,1,0,0|0,0,0]=3 50670 B12R1.272 CCCCCCCOC1CCC1 34a_100000748187_100000210614 [0,2,0,1,0,0|0,0,0]=3 50671 B12R1.272 CCCCCCCOC1COC1 34a_100000210272_100009818527 [0,2,0,1,0,0|1,0,0]=4 50672 B12R1.272 CCCCCCCOC1COC1 7a_100000210272_100009818527 [0,2,0,1,0,0|1,0,0]=4 50673 B12R1.272 CCCCCCCOC1CSC1 7a_100000072292_100000210614 [0,2,0,1,0,0|1,0,0]=4 50674 B12R1.272 CCCCCCCSC1CCC1 62a_100000210614_100000749161 [0,2,0,1,0,0|0,1,0]=4 50675 B12R1.272 CCCCCCCSC1COC1 62a_100000210614_100009818527 [0,2,0,1,0,0|1,0,0]=4 50676 B12R1.272 CCCCCCNCC1CCC1 2230a_100000210581_100000763275 [0,2,0,1,0,0|1,0,0]=4 50677 B12R1.272 CCCCCCNCC1CCC1 2230a_100000738700_100000210314 [0,2,0,1,0,0|1,0,0]=4 50678 B12R1.272 CCCCCCNCC1CCC1 269862a_100000210581_100000753134 [0,2,0,1,0,0|1,0,0]=4 50679 B12R1.272 CCCCCCNCC1CCC1 34a_100000738700_100000210314 [0,2,0,1,0,0|1,0,0]=4 50680 B12R1.272 CCCCCCNCC1CCO1 2230a_100000210581_100000103362 [0,2,0,1,0,0|1,0,0]=4 50681 B12R1.272 CCCCCCNCC1COC1 2230a_100000210581_100010264016 [0,2,0,1,0,0|1,0,0]=4 50682 B12R1.272 CCCCCCNCC1COC1 2230a_100015281925_100000210314 [0,2,0,1,0,0|1,0,0]=4 50683 B12R1.272 CCCCCCNCC1COC1 34a_100015281925_100000210314 [0,2,0,1,0,0|1,0,0]=4 50684 B12R1.272 CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210314 [0,2,0,1,0,0|1,0,0]=4 50685 B12R1.272 CCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210314 [0,2,0,1,0,0|1,0,0]=4 50686 B12R1.272 CCCCCCOCC1CCC1 34a_100000210259_100000763275 [0,2,0,1,0,0|0,0,0]=3 50687 B12R1.272 CCCCCCOCC1CCC1 34a_100000760304_100000210314 [0,2,0,1,0,0|0,0,0]=3 50688 B12R1.272 CCCCCCOCC1CCC1 7a_100000210259_100000763275 [0,2,0,1,0,0|0,0,0]=3 50689 B12R1.272 CCCCCCOCC1CCO1 34a_100000039022_100000210314 [0,2,0,1,0,0|0,0,0]=3 50690 B12R1.272 CCCCCCOCC1CCO1 34a_100000210259_100000103362 [0,2,0,1,0,0|0,0,0]=3 50691 B12R1.272 CCCCCCOCC1CCO1 7a_100000210259_100000103362 [0,2,0,1,0,0|0,0,0]=3 50692 B12R1.272 CCCCCCOCC1CNC1 34a_100016987283_100000210314 [0,2,0,1,0,0|0,0,0]=3 50693 B12R1.272 CCCCCCOCC1COC1 34a_100000060846_100000210314 [0,2,0,1,0,0|0,0,0]=3 50694 B12R1.272 CCCCCCOCC1COC1 34a_100000210259_100010264016 [0,2,0,1,0,0|0,0,0]=3 50695 B12R1.272 CCCCCCOCC1COC1 7a_100000210259_100010264016 [0,2,0,1,0,0|0,0,0]=3 50696 B12R1.272 CCCCCCSCC1CCC1 62a_100000210314_100000763275 [0,2,0,1,0,0|0,1,0]=4 50697 B12R1.272 CCCCCCSCC1CCC1 62a_100000763275_100000210757 [0,2,0,1,0,0|0,1,0]=4 50698 B12R1.272 CCCCCCSCC1CCO1 62a_100000103362_100000210757 [0,2,0,1,0,0|0,1,0]=4 50699 B12R1.272 CCCCCCSCC1CCO1 62a_100000210314_100000103362 [0,2,0,1,0,0|0,1,0]=4 50700 B12R1.272 CCCCCCSCC1COC1 62a_100000210314_100010264016 [0,2,0,1,0,0|0,1,0]=4 50701 B12R1.272 CCCCCCSCC1COC1 62a_100010264016_100000210757 [0,2,0,1,0,0|0,1,0]=4 50702 B12R1.272 CCCCCNN=CC1CCC1 4a_100000694160_100000753134 [0,2,0,1,0,0|1,0,0]=4 50703 B12R1.272 CCCCCOCCC1COC1 34a_100009855314_100000718602 [0,2,0,1,0,0|0,0,0]=3 50704 B12R1.272 CCCCOCCNC1CCC1 2230a_100000749019_100000743108 [0,2,0,1,0,0|0,0,0]=3 50705 B12R1.272 CCCCOCCNC1CCC1 34a_100000749019_100000743108 [0,2,0,1,0,0|0,0,0]=3 50706 B12R1.272 CCCCOCCNC1COC1 2230a_100016991112_100000743108 [0,2,0,1,0,0|0,0,0]=3 50707 B12R1.272 CCCCOCCOC1CCC1 34a_100000210238_100000749161 [0,2,0,1,0,0|0,0,0]=3 50708 B12R1.272 CCCCOCCOC1CCC1 34a_100000748187_100000743108 [0,2,0,1,0,0|0,0,0]=3 50709 B12R1.272 CCCCOCCOC1COC1 34a_100000210238_100009818527 [0,2,0,1,0,0|0,0,0]=3 50710 B12R1.272 CCCCOCCOC1COC1 7a_100000210238_100009818527 [0,2,0,1,0,0|0,0,0]=3 50711 B12R1.272 CCCCOCCOC1CSC1 7a_100000072292_100000743108 [0,2,0,1,0,0|0,0,0]=3 50712 B12R1.272 CCCCOCCSC1CCC1 62a_100000743108_100000749161 [0,2,0,1,0,0|0,0,0]=3 50713 B12R1.272 CCCCOCCSC1COC1 62a_100000743108_100009818527 [0,2,0,1,0,0|0,0,0]=3 50714 B12R1.272 CCCCOCNCC1CCC1 2230a_100000738700_100011995733 [0,2,0,1,0,0|0,0,0]=3 50715 B12R1.272 CCCCOCNCC1CCC1 34a_100000738700_100011995733 [0,2,0,1,0,0|0,0,0]=3 50716 B12R1.272 CCCCOCNCC1COC1 2230a_100015281925_100011995733 [0,2,0,1,0,0|0,0,0]=3 50717 B12R1.272 CCCCOCNCC1COC1 34a_100015281925_100011995733 [0,2,0,1,0,0|0,0,0]=3 50718 B12R1.272 CCCCOCNC[C@@H]1CCO1 2230a_100020831831_100011995733 [0,2,0,1,0,0|0,0,0]=3 50719 B12R1.272 CCCCOCNC[C@@H]1CCO1 34a_100020831831_100011995733 [0,2,0,1,0,0|0,0,0]=3 50720 B12R1.272 CCCCOCOCC1CCC1 34a_100000760304_100011995733 [0,2,0,1,0,0|0,0,0]=3 50721 B12R1.272 CCCCOCOCC1CCO1 34a_100000039022_100011995733 [0,2,0,1,0,0|0,0,0]=3 50722 B12R1.272 CCCCOCOCC1CNC1 34a_100016987283_100011995733 [0,2,0,1,0,0|0,0,0]=3 50723 B12R1.272 CCCCOCOCC1COC1 34a_100000060846_100011995733 [0,2,0,1,0,0|0,0,0]=3 50724 B12R1.272 CCCCOCSCC1CCC1 62a_100000763275_100011995733 [0,2,0,1,0,0|0,0,0]=3 50725 B12R1.272 CCCCOCSCC1CCC1 62a_100011995733_100000763275 [0,2,0,1,0,0|0,0,0]=3 50726 B12R1.272 CCCCOCSCC1CCO1 62a_100000103362_100011995733 [0,2,0,1,0,0|0,0,0]=3 50727 B12R1.272 CCCCOCSCC1CCO1 62a_100011995733_100000103362 [0,2,0,1,0,0|0,0,0]=3 50728 B12R1.272 CCCCOCSCC1COC1 62a_100010264016_100011995733 [0,2,0,1,0,0|0,0,0]=3 50729 B12R1.272 CCCCOCSCC1COC1 62a_100011995733_100010264016 [0,2,0,1,0,0|0,0,0]=3 50730 B12R1.272 CCCCSCCNC1CCC1 270004a_100025743550_100000241760 [0,2,0,1,0,0|0,1,0]=4 50731 B12R1.272 CCCCSCCOC1CCC1 34a_200000230436_100000749161 [0,2,0,1,0,0|0,0,0]=3 50732 B12R1.272 CCCCSCCOC1COC1 34a_200000230436_100009818527 [0,2,0,1,0,0|0,1,0]=4 50733 B12R1.272 CCCCSCCOC1COC1 7a_200000230436_100009818527 [0,2,0,1,0,0|0,1,0]=4 50734 B12R1.272 CCCOCCCNC1CCC1 270004a_100011217757_100000241760 [0,2,0,1,0,0|1,0,0]=4 50735 B12R1.272 CCCOCCCNC1CCC1 34a_100011217757_100000749161 [0,2,0,1,0,0|1,0,0]=4 50736 B12R1.272 CCCOCCNCC1CCC1 2230a_100000738700_100011215938 [0,2,0,1,0,0|1,0,0]=4 50737 B12R1.272 CCCOCCNCC1CCC1 2230a_100161115042_100000763275 [0,2,0,1,0,0|1,0,0]=4 50738 B12R1.272 CCCOCCNCC1CCC1 269862a_100161115042_100000753134 [0,2,0,1,0,0|1,0,0]=4 50739 B12R1.272 CCCOCCNCC1CCC1 34a_100000738700_100011215938 [0,2,0,1,0,0|1,0,0]=4 50740 B12R1.272 CCCOCCNCC1CCC1 34a_100161115042_100000763275 [0,2,0,1,0,0|1,0,0]=4 50741 B12R1.272 CCCOCCNCC1CCO1 2230a_100161115042_100000103362 [0,2,0,1,0,0|1,0,0]=4 50742 B12R1.272 CCCOCCNCC1CCO1 34a_100161115042_100000103362 [0,2,0,1,0,0|1,0,0]=4 50743 B12R1.272 CCCOCCNCC1COC1 2230a_100015281925_100011215938 [0,2,0,1,0,0|1,0,0]=4 50744 B12R1.272 CCCOCCNCC1COC1 2230a_100161115042_100010264016 [0,2,0,1,0,0|1,0,0]=4 50745 B12R1.272 CCCOCCNCC1COC1 34a_100015281925_100011215938 [0,2,0,1,0,0|1,0,0]=4 50746 B12R1.272 CCCOCCNCC1COC1 34a_100161115042_100010264016 [0,2,0,1,0,0|1,0,0]=4 50747 B12R1.272 CCCOCCNC[C@@H]1CCO1 2230a_100020831831_100011215938 [0,2,0,1,0,0|1,0,0]=4 50748 B12R1.272 CCCOCCNC[C@@H]1CCO1 34a_100020831831_100011215938 [0,2,0,1,0,0|1,0,0]=4 50749 B12R1.272 CCCOCCOCC1CCC1 34a_100000752267_100000763275 [0,2,0,1,0,0|0,0,0]=3 50750 B12R1.272 CCCOCCOCC1CCC1 34a_100000760304_100011215938 [0,2,0,1,0,0|0,0,0]=3 50751 B12R1.272 CCCOCCOCC1CCC1 7a_100000752267_100000763275 [0,2,0,1,0,0|0,0,0]=3 50752 B12R1.272 CCCOCCOCC1CCO1 34a_100000039022_100011215938 [0,2,0,1,0,0|0,0,0]=3 50753 B12R1.272 CCCOCCOCC1CCO1 34a_100000752267_100000103362 [0,2,0,1,0,0|0,0,0]=3 50754 B12R1.272 CCCOCCOCC1CCO1 7a_100000752267_100000103362 [0,2,0,1,0,0|0,0,0]=3 50755 B12R1.272 CCCOCCOCC1CNC1 34a_100016987283_100011215938 [0,2,0,1,0,0|0,0,0]=3 50756 B12R1.272 CCCOCCOCC1COC1 34a_100000060846_100011215938 [0,2,0,1,0,0|0,0,0]=3 50757 B12R1.272 CCCOCCOCC1COC1 34a_100000752267_100010264016 [0,2,0,1,0,0|0,0,0]=3 50758 B12R1.272 CCCOCCOCC1COC1 7a_100000752267_100010264016 [0,2,0,1,0,0|0,0,0]=3 50759 B12R1.272 CCCOCCSCC1CCC1 62a_100000763275_100011215938 [0,2,0,1,0,0|0,1,0]=4 50760 B12R1.272 CCCOCCSCC1CCC1 62a_100011215938_100000763275 [0,2,0,1,0,0|0,1,0]=4 50761 B12R1.272 CCCOCCSCC1CCO1 62a_100000103362_100011215938 [0,2,0,1,0,0|0,1,0]=4 50762 B12R1.272 CCCOCCSCC1CCO1 62a_100011215938_100000103362 [0,2,0,1,0,0|0,1,0]=4 50763 B12R1.272 CCCOCCSCC1COC1 62a_100010264016_100011215938 [0,2,0,1,0,0|0,1,0]=4 50764 B12R1.272 CCCOCCSCC1COC1 62a_100011215938_100010264016 [0,2,0,1,0,0|0,1,0]=4 50765 B12R1.272 CCCSCCNCC1CCC1 2230a_100020603323_100000763275 [0,2,0,1,0,0|1,0,0]=4 50766 B12R1.272 CCCSCCNCC1CCC1 269862a_100020603323_100000753134 [0,2,0,1,0,0|1,0,0]=4 50767 B12R1.272 CCCSCCNCC1CCO1 2230a_100020603323_100000103362 [0,2,0,1,0,0|1,0,0]=4 50768 B12R1.272 CCCSCCNCC1COC1 2230a_100020603323_100010264016 [0,2,0,1,0,0|1,0,0]=4 50769 B12R1.272 CCCSCCOCC1CCC1 34a_200000230433_100000763275 [0,2,0,1,0,0|0,0,0]=3 50770 B12R1.272 CCCSCCOCC1CCC1 7a_200000230433_100000763275 [0,2,0,1,0,0|0,0,0]=3 50771 B12R1.272 CCCSCCOCC1CCO1 34a_200000230433_100000103362 [0,2,0,1,0,0|0,0,0]=3 50772 B12R1.272 CCCSCCOCC1CCO1 7a_200000230433_100000103362 [0,2,0,1,0,0|0,0,0]=3 50773 B12R1.272 CCCSCCOCC1COC1 34a_200000230433_100010264016 [0,2,0,1,0,0|0,0,0]=3 50774 B12R1.272 CCCSCCOCC1COC1 7a_200000230433_100010264016 [0,2,0,1,0,0|0,0,0]=3 50775 B12R1.272 CCOCCCNCC1CCC1 2230a_100000210961_100000763275 [0,2,0,1,0,0|1,0,0]=4 50776 B12R1.272 CCOCCCNCC1CCC1 2230a_100000738700_100012232248 [0,2,0,1,0,0|1,0,0]=4 50777 B12R1.272 CCOCCCNCC1CCC1 269862a_100000210961_100000753134 [0,2,0,1,0,0|1,0,0]=4 50778 B12R1.272 CCOCCCNCC1CCC1 34a_100000210961_100000763275 [0,2,0,1,0,0|1,0,0]=4 50779 B12R1.272 CCOCCCNCC1CCC1 34a_100000738700_100012232248 [0,2,0,1,0,0|1,0,0]=4 50780 B12R1.272 CCOCCCNCC1CCO1 2230a_100000210961_100000103362 [0,2,0,1,0,0|1,0,0]=4 50781 B12R1.272 CCOCCCNCC1CCO1 34a_100000210961_100000103362 [0,2,0,1,0,0|1,0,0]=4 50782 B12R1.272 CCOCCCNCC1COC1 2230a_100000210961_100010264016 [0,2,0,1,0,0|1,0,0]=4 50783 B12R1.272 CCOCCCNCC1COC1 2230a_100015281925_100012232248 [0,2,0,1,0,0|1,0,0]=4 50784 B12R1.272 CCOCCCNCC1COC1 34a_100000210961_100010264016 [0,2,0,1,0,0|1,0,0]=4 50785 B12R1.272 CCOCCCNCC1COC1 34a_100015281925_100012232248 [0,2,0,1,0,0|1,0,0]=4 50786 B12R1.272 CCOCCCNC[C@@H]1CCO1 2230a_100020831831_100012232248 [0,2,0,1,0,0|1,0,0]=4 50787 B12R1.272 CCOCCCNC[C@@H]1CCO1 34a_100020831831_100012232248 [0,2,0,1,0,0|1,0,0]=4 50788 B12R1.272 CCOCCCOCC1CCC1 34a_100000757476_100000763275 [0,2,0,1,0,0|0,0,0]=3 50789 B12R1.272 CCOCCCOCC1CCC1 34a_100000760304_100012232248 [0,2,0,1,0,0|0,0,0]=3 50790 B12R1.272 CCOCCCOCC1CCC1 7a_100000757476_100000763275 [0,2,0,1,0,0|0,0,0]=3 50791 B12R1.272 CCOCCCOCC1CCO1 34a_100000039022_100012232248 [0,2,0,1,0,0|0,0,0]=3 50792 B12R1.272 CCOCCCOCC1CCO1 34a_100000757476_100000103362 [0,2,0,1,0,0|0,0,0]=3 50793 B12R1.272 CCOCCCOCC1CCO1 7a_100000757476_100000103362 [0,2,0,1,0,0|0,0,0]=3 50794 B12R1.272 CCOCCCOCC1CNC1 34a_100016987283_100012232248 [0,2,0,1,0,0|0,0,0]=3 50795 B12R1.272 CCOCCCOCC1COC1 34a_100000060846_100012232248 [0,2,0,1,0,0|0,0,0]=3 50796 B12R1.272 CCOCCCOCC1COC1 34a_100000757476_100010264016 [0,2,0,1,0,0|0,0,0]=3 50797 B12R1.272 CCOCCCOCC1COC1 7a_100000757476_100010264016 [0,2,0,1,0,0|0,0,0]=3 50798 B12R1.272 CCOCCCSCC1CCC1 62a_100000763275_100012232248 [0,2,0,1,0,0|0,1,0]=4 50799 B12R1.272 CCOCCCSCC1CCC1 62a_100012232248_100000763275 [0,2,0,1,0,0|0,1,0]=4 50800 B12R1.272 CCOCCCSCC1CCO1 62a_100000103362_100012232248 [0,2,0,1,0,0|0,1,0]=4 50801 B12R1.272 CCOCCCSCC1CCO1 62a_100012232248_100000103362 [0,2,0,1,0,0|0,1,0]=4 50802 B12R1.272 CCOCCCSCC1COC1 62a_100010264016_100012232248 [0,2,0,1,0,0|0,1,0]=4 50803 B12R1.272 CCOCCCSCC1COC1 62a_100012232248_100010264016 [0,2,0,1,0,0|0,1,0]=4 50804 B12R1.272 CCOCCOCCC1COC1 34a_100009855314_100000210147 [0,2,0,1,0,0|0,0,0]=3 50805 B12R1.272 CCOCCOCCN1CCC1 269982a_100000754969_100011211534 [0,2,0,1,0,0|0,0,0]=3 50806 B12R1.272 CCSCCCOCC1CCC1 34a_100011216438_100000763275 [0,2,0,1,0,0|0,0,0]=3 50807 B12R1.272 CCSCCCOCC1CCC1 7a_100011216438_100000763275 [0,2,0,1,0,0|0,0,0]=3 50808 B12R1.272 CCSCCCOCC1CCO1 34a_100011216438_100000103362 [0,2,0,1,0,0|0,0,0]=3 50809 B12R1.272 CCSCCCOCC1CCO1 7a_100011216438_100000103362 [0,2,0,1,0,0|0,0,0]=3 50810 B12R1.272 CCSCCCOCC1COC1 34a_100011216438_100010264016 [0,2,0,1,0,0|0,0,0]=3 50811 B12R1.272 CCSCCCOCC1COC1 7a_100011216438_100010264016 [0,2,0,1,0,0|0,0,0]=3 50812 B12R1.272 CCSCCOCCC1COC1 34a_100009855314_100000757381 [0,2,0,1,0,0|0,0,0]=3 50813 B12R1.272 CNCCCCCOC1CCC1 34a_100000722520_100000749161 [0,2,0,1,0,0|0,0,0]=3 50814 B12R1.272 CNCCCCCOC1COC1 34a_100000722520_100009818527 [0,2,0,1,0,0|1,0,0]=4 50815 B12R1.272 CNCCOCCOC1CCC1 34a_100000228057_100000749161 [0,2,0,1,0,0|0,0,0]=3 50816 B12R1.272 CNCCOCCOC1COC1 34a_100000228057_100009818527 [0,2,0,1,0,0|1,0,0]=4 50817 B12R1.272 COCCCCCCN1CCC1 269982a_100000754969_100011998445 [0,2,0,1,0,0|1,0,0]=4 50818 B12R1.272 COCCCCCNC1CCC1 270004a_100000747528_100000241760 [0,2,0,1,0,0|1,0,0]=4 50819 B12R1.272 COCCCCCNC1CCC1 34a_100000747528_100000749161 [0,2,0,1,0,0|1,0,0]=4 50820 B12R1.272 COCCCCNCC1CCC1 2230a_100000738700_100000730899 [0,2,0,1,0,0|1,0,0]=4 50821 B12R1.272 COCCCCNCC1CCC1 34a_100000738700_100000755781 [0,2,0,1,0,0|1,0,0]=4 50822 B12R1.272 COCCCCNCC1COC1 2230a_100015281925_100000730899 [0,2,0,1,0,0|1,0,0]=4 50823 B12R1.272 COCCCCNCC1COC1 34a_100015281925_100000755781 [0,2,0,1,0,0|1,0,0]=4 50824 B12R1.272 COCCCCNC[C@@H]1CCO1 2230a_100020831831_100000730899 [0,2,0,1,0,0|1,0,0]=4 50825 B12R1.272 COCCCCNC[C@@H]1CCO1 34a_100020831831_100000755781 [0,2,0,1,0,0|1,0,0]=4 50826 B12R1.272 COCCCCOCC1CCC1 34a_100000740925_100000763275 [0,2,0,1,0,0|0,0,0]=3 50827 B12R1.272 COCCCCOCC1CCC1 34a_100000760304_100000755781 [0,2,0,1,0,0|0,0,0]=3 50828 B12R1.272 COCCCCOCC1CCO1 34a_100000039022_100000755781 [0,2,0,1,0,0|0,0,0]=3 50829 B12R1.272 COCCCCOCC1CCO1 34a_100000740925_100000103362 [0,2,0,1,0,0|0,0,0]=3 50830 B12R1.272 COCCCCOCC1CNC1 34a_100016987283_100000755781 [0,2,0,1,0,0|0,0,0]=3 50831 B12R1.272 COCCCCOCC1COC1 34a_100000060846_100000755781 [0,2,0,1,0,0|0,0,0]=3 50832 B12R1.272 COCCCCOCC1COC1 34a_100000740925_100010264016 [0,2,0,1,0,0|0,0,0]=3 50833 B12R1.272 COCCCCSCC1CCC1 62a_100000730899_100000763275 [0,2,0,1,0,0|0,1,0]=4 50834 B12R1.272 COCCCCSCC1CCC1 62a_100000763275_100000730899 [0,2,0,1,0,0|0,1,0]=4 50835 B12R1.272 COCCCCSCC1CCO1 62a_100000103362_100000730899 [0,2,0,1,0,0|0,1,0]=4 50836 B12R1.272 COCCCCSCC1CCO1 62a_100000730899_100000103362 [0,2,0,1,0,0|0,1,0]=4 50837 B12R1.272 COCCCCSCC1COC1 62a_100000730899_100010264016 [0,2,0,1,0,0|0,1,0]=4 50838 B12R1.272 COCCCCSCC1COC1 62a_100010264016_100000730899 [0,2,0,1,0,0|0,1,0]=4 50839 B12R1.272 COCCCOCCC1COC1 34a_100009855314_100000740836 [0,2,0,1,0,0|0,0,0]=3 50840 B12R1.272 COCCOCCCN1CCC1 269982a_100000754969_100011216529 [0,2,0,1,0,0|1,0,0]=4 50841 B12R1.272 COCCOCCNC1CCC1 2230a_100000749019_100000695917 [0,2,0,1,0,0|1,0,0]=4 50842 B12R1.272 COCCOCCNC1CCC1 270004a_100000745349_100000241760 [0,2,0,1,0,0|1,0,0]=4 50843 B12R1.272 COCCOCCNC1CCC1 34a_100000745349_100000749161 [0,2,0,1,0,0|1,0,0]=4 50844 B12R1.272 COCCOCCNC1CCC1 34a_100000749019_100000695917 [0,2,0,1,0,0|1,0,0]=4 50845 B12R1.272 COCCOCCNC1COC1 2230a_100016991112_100000695917 [0,2,0,1,0,0|1,0,0]=4 50846 B12R1.272 COCCOCCNC1COC1 34a_100000745349_100009818527 [0,2,0,1,0,0|1,0,0]=4 50847 B12R1.272 COCCOCCOC1CCC1 34a_100000748187_100000695917 [0,2,0,1,0,0|0,0,0]=3 50848 B12R1.272 COCCOCCOC1CCC1 34a_100011215163_100000749161 [0,2,0,1,0,0|0,0,0]=3 50849 B12R1.272 COCCOCCOC1COC1 34a_100011215163_100009818527 [0,2,0,1,0,0|1,0,0]=4 50850 B12R1.272 COCCOCCOC1COC1 7a_100011215163_100009818527 [0,2,0,1,0,0|1,0,0]=4 50851 B12R1.272 COCCOCCOC1CSC1 7a_100000072292_100000695917 [0,2,0,1,0,0|1,0,0]=4 50852 B12R1.272 COCCOCCSC1CCC1 62a_100000695917_100000749161 [0,2,0,1,0,0|0,1,0]=4 50853 B12R1.272 COCCOCCSC1COC1 62a_100000695917_100009818527 [0,2,0,1,0,0|1,0,0]=4 50854 B12R1.272 COCCOCNCC1CCC1 2230a_100000738700_100000231047 [0,2,0,1,0,0|1,0,0]=4 50855 B12R1.272 COCCOCNCC1COC1 2230a_100015281925_100000231047 [0,2,0,1,0,0|1,0,0]=4 50856 B12R1.272 COCCOCNC[C@@H]1CCO1 2230a_100020831831_100000231047 [0,2,0,1,0,0|1,0,0]=4 50857 B12R1.272 COCCOCSCC1CCC1 62a_100000231047_100000763275 [0,2,0,1,0,0|0,1,0]=4 50858 B12R1.272 COCCOCSCC1CCC1 62a_100000763275_100000231047 [0,2,0,1,0,0|0,1,0]=4 50859 B12R1.272 COCCOCSCC1CCO1 62a_100000103362_100000231047 [0,2,0,1,0,0|1,0,0]=4 50860 B12R1.272 COCCOCSCC1CCO1 62a_100000231047_100000103362 [0,2,0,1,0,0|1,0,0]=4 50861 B12R1.272 COCCOCSCC1COC1 62a_100000231047_100010264016 [0,2,0,1,0,0|1,0,0]=4 50862 B12R1.272 COCCOCSCC1COC1 62a_100010264016_100000231047 [0,2,0,1,0,0|1,0,0]=4 50863 B12R1.272 CSCCCCOCC1CCC1 34a_100011217163_100000763275 [0,2,0,1,0,0|0,0,0]=3 50864 B12R1.272 CSCCCCOCC1CCC1 7a_100011217163_100000763275 [0,2,0,1,0,0|0,0,0]=3 50865 B12R1.272 CSCCCCOCC1CCO1 34a_100011217163_100000103362 [0,2,0,1,0,0|0,0,0]=3 50866 B12R1.272 CSCCCCOCC1CCO1 7a_100011217163_100000103362 [0,2,0,1,0,0|0,0,0]=3 50867 B12R1.272 CSCCCCOCC1COC1 34a_100011217163_100010264016 [0,2,0,1,0,0|0,0,0]=3 50868 B12R1.272 CSCCCCOCC1COC1 7a_100011217163_100010264016 [0,2,0,1,0,0|0,0,0]=3 50869 B12R1.272 ClCCCCCCOC1CCC1 34a_100000766143_100000749161 [0,2,0,1,0,0|0,0,0]=3 50870 B12R1.272 ClCCCCCCOC1COC1 34a_100000766143_100009818527 [0,2,0,1,0,0|1,0,0]=4 50871 B12R1.272 ClCCCCCCOC1COC1 7a_100000766143_100009818527 [0,2,0,1,0,0|1,0,0]=4 50872 B12R1.272 ClCCCCCOCC1CCC1 34a_100000746330_100000763275 [0,2,0,1,0,0|0,0,0]=3 50873 B12R1.272 ClCCCCCOCC1CCC1 7a_100000746330_100000763275 [0,2,0,1,0,0|0,0,0]=3 50874 B12R1.272 ClCCCCCOCC1CCO1 34a_100000746330_100000103362 [0,2,0,1,0,0|0,0,0]=3 50875 B12R1.272 ClCCCCCOCC1CCO1 7a_100000746330_100000103362 [0,2,0,1,0,0|0,0,0]=3 50876 B12R1.272 ClCCCCCOCC1COC1 34a_100000746330_100010264016 [0,2,0,1,0,0|0,0,0]=3 50877 B12R1.272 ClCCCCCOCC1COC1 7a_100000746330_100010264016 [0,2,0,1,0,0|0,0,0]=3 50878 B12R1.272 ClCCOCCOCC1CCC1 34a_100011215305_100000763275 [0,2,0,1,0,0|0,0,0]=3 50879 B12R1.272 ClCCOCCOCC1CCC1 7a_100011215305_100000763275 [0,2,0,1,0,0|0,0,0]=3 50880 B12R1.272 ClCCOCCOCC1CCO1 34a_100011215305_100000103362 [0,2,0,1,0,0|1,0,0]=4 50881 B12R1.272 ClCCOCCOCC1CCO1 7a_100011215305_100000103362 [0,2,0,1,0,0|1,0,0]=4 50882 B12R1.272 ClCCOCCOCC1COC1 34a_100011215305_100010264016 [0,2,0,1,0,0|1,0,0]=4 50883 B12R1.272 ClCCOCCOCC1COC1 7a_100011215305_100010264016 [0,2,0,1,0,0|1,0,0]=4 50884 B12R1.272 FCCCCCCNC1CCC1 2230a_100000749019_100015922095 [0,2,0,1,0,0|1,0,0]=4 50885 B12R1.272 FCCCCCCNC1CCC1 34a_100000749019_100015922095 [0,2,0,1,0,0|1,0,0]=4 50886 B12R1.272 FCCCCCCOC1CCC1 34a_100000732779_100000749161 [0,2,0,1,0,0|0,0,0]=3 50887 B12R1.272 FCCCCCCOC1CCC1 34a_100000748187_100015922095 [0,2,0,1,0,0|0,0,0]=3 50888 B12R1.272 FCCCCCCOC1COC1 34a_100000732779_100009818527 [0,2,0,1,0,0|1,0,0]=4 50889 B12R1.272 FCCCCCCOC1COC1 7a_100000732779_100009818527 [0,2,0,1,0,0|1,0,0]=4 50890 B12R1.272 FCCCCCCOC1CSC1 7a_100000072292_100015922095 [0,2,0,1,0,0|1,0,0]=4 50891 B12R1.272 FCCCCCCSC1CCC1 62a_100015922095_100000749161 [0,2,0,1,0,0|0,1,0]=4 50892 B12R1.272 FCCCCCNCC1CCC1 2230a_100000738700_100000729378 [0,2,0,1,0,0|1,0,0]=4 50893 B12R1.272 FCCCCCNCC1CCC1 34a_100000738700_100000729378 [0,2,0,1,0,0|1,0,0]=4 50894 B12R1.272 FCCCCCNCC1COC1 2230a_100015281925_100000729378 [0,2,0,1,0,0|1,0,0]=4 50895 B12R1.272 FCCCCCNCC1COC1 34a_100015281925_100000729378 [0,2,0,1,0,0|1,0,0]=4 50896 B12R1.272 FCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000729378 [0,2,0,1,0,0|1,0,0]=4 50897 B12R1.272 FCCCCCNC[C@@H]1CCO1 34a_100020831831_100000729378 [0,2,0,1,0,0|1,0,0]=4 50898 B12R1.272 FCCCCCOCC1CCC1 34a_100000760304_100000729378 [0,2,0,1,0,0|0,0,0]=3 50899 B12R1.272 FCCCCCOCC1CCO1 34a_100000039022_100000729378 [0,2,0,1,0,0|0,0,0]=3 50900 B12R1.272 FCCCCCOCC1CNC1 34a_100016987283_100000729378 [0,2,0,1,0,0|0,0,0]=3 50901 B12R1.272 FCCCCCOCC1COC1 34a_100000060846_100000729378 [0,2,0,1,0,0|0,0,0]=3 50902 B12R1.272 FCCCCCSCC1CCC1 62a_100000729378_100000763275 [0,2,0,1,0,0|0,1,0]=4 50903 B12R1.272 FCCCCCSCC1CCC1 62a_100000763275_100000729378 [0,2,0,1,0,0|0,1,0]=4 50904 B12R1.272 FCCCCCSCC1CCO1 62a_100000103362_100000729378 [0,2,0,1,0,0|0,1,0]=4 50905 B12R1.272 FCCCCCSCC1CCO1 62a_100000729378_100000103362 [0,2,0,1,0,0|0,1,0]=4 50906 B12R1.272 FCCCCCSCC1COC1 62a_100000729378_100010264016 [0,2,0,1,0,0|0,1,0]=4 50907 B12R1.272 FCCCCCSCC1COC1 62a_100010264016_100000729378 [0,2,0,1,0,0|0,1,0]=4 50908 B12R1.272 FCCCCOCCC1COC1 34a_100009855314_100000729493 [0,2,0,1,0,0|0,0,0]=3 50909 B12R1.272 FCCOCCOCC1CCC1 34a_200015357709_100000763275 [0,2,0,1,0,0|0,0,0]=3 50910 B12R1.272 FCCOCCOCC1CCC1 7a_200015357709_100000763275 [0,2,0,1,0,0|0,0,0]=3 50911 B12R1.272 FCCOCCOCC1CCO1 34a_200015357709_100000103362 [0,2,0,1,0,0|1,0,0]=4 50912 B12R1.272 FCCOCCOCC1CCO1 7a_200015357709_100000103362 [0,2,0,1,0,0|1,0,0]=4 50913 B12R1.272 FCCOCCOCC1COC1 34a_200015357709_100010264016 [0,2,0,1,0,0|1,0,0]=4 50914 B12R1.272 FCCOCCOCC1COC1 7a_200015357709_100010264016 [0,2,0,1,0,0|1,0,0]=4 50915 B12R1.272 ICCCCCOCC1CCC1 34a_200012148887_100000763275 [0,2,0,1,0,0|0,0,0]=3 50916 B12R1.272 ICCCCCOCC1CCC1 7a_200012148887_100000763275 [0,2,0,1,0,0|0,0,0]=3 50917 B12R1.272 ICCCCCOCC1CCO1 34a_200012148887_100000103362 [0,2,0,1,0,0|0,0,0]=3 50918 B12R1.272 ICCCCCOCC1CCO1 7a_200012148887_100000103362 [0,2,0,1,0,0|0,0,0]=3 50919 B12R1.272 ICCCCCOCC1COC1 34a_200012148887_100010264016 [0,2,0,1,0,0|0,0,0]=3 50920 B12R1.272 ICCCCCOCC1COC1 7a_200012148887_100010264016 [0,2,0,1,0,0|0,0,0]=3 50921 B12R1.272 ICCOCCOCC1CCC1 34a_100012149058_100000763275 [0,2,0,1,0,0|0,0,0]=3 50922 B12R1.272 ICCOCCOCC1CCC1 7a_100012149058_100000763275 [0,2,0,1,0,0|0,0,0]=3 50923 B12R1.272 ICCOCCOCC1CCO1 34a_100012149058_100000103362 [0,2,0,1,0,0|1,0,0]=4 50924 B12R1.272 ICCOCCOCC1CCO1 7a_100012149058_100000103362 [0,2,0,1,0,0|1,0,0]=4 50925 B12R1.272 ICCOCCOCC1COC1 34a_100012149058_100010264016 [0,2,0,1,0,0|1,0,0]=4 50926 B12R1.272 ICCOCCOCC1COC1 7a_100012149058_100010264016 [0,2,0,1,0,0|1,0,0]=4 50927 B12R1.272 N#CCCCCCNC1CCC1 2230a_100000749019_100009813376 [0,2,0,1,0,0|1,0,0]=4 50928 B12R1.272 N#CCCCCCNC1CCC1 270004a_100000061152_100000241760 [0,2,0,1,0,0|1,0,0]=4 50929 B12R1.272 N#CCCCCCOC1CSC1 7a_100000072292_100009813376 [0,2,0,1,0,0|1,0,0]=4 50930 B12R1.272 N#CCCCCCSC1CCC1 62a_100009813376_100000749161 [0,2,0,1,0,0|0,1,0]=4 50931 B12R1.272 N#CCCCCNCC1CCC1 2230a_100000738700_100000211819 [0,2,0,1,0,0|1,0,0]=4 50932 B12R1.272 N#CCCCCSCC1CCC1 62a_100000763275_100000211819 [0,2,0,1,0,0|0,1,0]=4 50933 B12R1.272 N#CCCCCSCC1CCC1 62a_100011219923_100000763275 [0,2,0,1,0,0|0,1,0]=4 50934 B12R1.272 NCCCCCCOC1CCC1 34a_100000686447_100000749161 [0,2,0,1,0,0|0,0,0]=3 50935 B12R1.272 NCCCCCCOC1COC1 34a_100000686447_100009818527 [0,2,0,1,0,0|1,0,0]=4 50936 B12R1.272 NCCCCCOCC1CCC1 34a_100000762737_100000763275 [0,2,0,1,0,0|0,0,0]=3 50937 B12R1.272 NCCCCCOCC1CCO1 34a_100000762737_100000103362 [0,2,0,1,0,0|0,0,0]=3 50938 B12R1.272 NCCCCCOCC1COC1 34a_100000762737_100010264016 [0,2,0,1,0,0|0,0,0]=3 50939 B12R1.272 NCCOCCOCC1CCC1 34a_100000211614_100000763275 [0,2,0,1,0,0|0,0,0]=3 50940 B12R1.272 NCCOCCOCC1CCO1 34a_100000211614_100000103362 [0,2,0,1,0,0|1,0,0]=4 50941 B12R1.272 NCCOCCOCC1COC1 34a_100000211614_100010264016 [0,2,0,1,0,0|1,0,0]=4 50942 B12R1.272 O=CCCCCCNC1CCC1 2230a_100000749019_100000139337 [0,2,0,1,0,0|1,0,0]=4 50943 B12R1.272 O=CCCCCCOC1CSC1 7a_100000072292_100000139337 [0,2,0,1,0,0|1,0,0]=4 50944 B12R1.272 O=CCCCCCSC1CCC1 62a_100000139337_100000749161 [0,2,0,1,0,0|0,1,0]=4 50945 B12R1.272 O=CCCCCNCC1CCC1 2230a_100000738700_100000139335 [0,2,0,1,0,0|1,0,0]=4 50946 B12R1.272 O=CCCCCSCC1CCC1 62a_100000139335_100000763275 [0,2,0,1,0,0|0,1,0]=4 50947 B12R1.272 O=CCCCCSCC1CCC1 62a_100000763275_100000139335 [0,2,0,1,0,0|0,1,0]=4 50948 B12R1.272 OCCCCCCCN1CCC1 269982a_100000754969_100000760002 [0,2,0,1,0,0|1,0,0]=4 50949 B12R1.272 OCCCCCCNC1CCC1 2230a_100000749019_100000766143 [0,2,0,1,0,0|1,0,0]=4 50950 B12R1.272 OCCCCCCNC1CCC1 270004a_100000686447_100000241760 [0,2,0,1,0,0|1,0,0]=4 50951 B12R1.272 OCCCCCCNC1CCC1 34a_100000686447_100000749161 [0,2,0,1,0,0|1,0,0]=4 50952 B12R1.272 OCCCCCCNC1CCC1 34a_100000749019_100000766143 [0,2,0,1,0,0|1,0,0]=4 50953 B12R1.272 OCCCCCCOC1CCC1 34a_100000748187_100000766143 [0,2,0,1,0,0|0,0,0]=3 50954 B12R1.272 OCCCCCCOC1CSC1 7a_100000072292_100000766143 [0,2,0,1,0,0|1,0,0]=4 50955 B12R1.272 OCCCCCCSC1CCC1 62a_100000766143_100000749161 [0,2,0,1,0,0|0,1,0]=4 50956 B12R1.272 OCCCCCNCC1CCC1 2230a_100000738700_100000746330 [0,2,0,1,0,0|1,0,0]=4 50957 B12R1.272 OCCCCCNCC1CCC1 2230a_100000762737_100000763275 [0,2,0,1,0,0|1,0,0]=4 50958 B12R1.272 OCCCCCNCC1CCC1 269862a_100000762737_100000753134 [0,2,0,1,0,0|1,0,0]=4 50959 B12R1.272 OCCCCCNCC1CCC1 34a_100000738700_100000746330 [0,2,0,1,0,0|1,0,0]=4 50960 B12R1.272 OCCCCCNCC1CCC1 34a_100000762737_100000763275 [0,2,0,1,0,0|1,0,0]=4 50961 B12R1.272 OCCCCCNCC1CCO1 2230a_100000762737_100000103362 [0,2,0,1,0,0|1,0,0]=4 50962 B12R1.272 OCCCCCNCC1CCO1 34a_100000762737_100000103362 [0,2,0,1,0,0|1,0,0]=4 50963 B12R1.272 OCCCCCNCC1COC1 2230a_100000762737_100010264016 [0,2,0,1,0,0|1,0,0]=4 50964 B12R1.272 OCCCCCNCC1COC1 2230a_100015281925_100000746330 [0,2,0,1,0,0|1,0,0]=4 50965 B12R1.272 OCCCCCNCC1COC1 34a_100000762737_100010264016 [0,2,0,1,0,0|1,0,0]=4 50966 B12R1.272 OCCCCCNCC1COC1 34a_100015281925_100000746330 [0,2,0,1,0,0|1,0,0]=4 50967 B12R1.272 OCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000746330 [0,2,0,1,0,0|1,0,0]=4 50968 B12R1.272 OCCCCCNC[C@@H]1CCO1 34a_100020831831_100000746330 [0,2,0,1,0,0|1,0,0]=4 50969 B12R1.272 OCCCCCOCC1CCC1 34a_100000760304_100000746330 [0,2,0,1,0,0|0,0,0]=3 50970 B12R1.272 OCCCCCOCC1CCO1 34a_100000039022_100000746330 [0,2,0,1,0,0|0,0,0]=3 50971 B12R1.272 OCCCCCOCC1CNC1 34a_100016987283_100000746330 [0,2,0,1,0,0|0,0,0]=3 50972 B12R1.272 OCCCCCOCC1COC1 34a_100000060846_100000746330 [0,2,0,1,0,0|0,0,0]=3 50973 B12R1.272 OCCCCCSCC1CCC1 62a_100000746330_100000763275 [0,2,0,1,0,0|0,1,0]=4 50974 B12R1.272 OCCCCCSCC1CCC1 62a_100000763275_100000746330 [0,2,0,1,0,0|0,1,0]=4 50975 B12R1.272 OCCCCCSCC1CCO1 62a_100000103362_100000746330 [0,2,0,1,0,0|0,1,0]=4 50976 B12R1.272 OCCCCCSCC1CCO1 62a_100000746330_100000103362 [0,2,0,1,0,0|0,1,0]=4 50977 B12R1.272 OCCCCCSCC1COC1 62a_100000746330_100010264016 [0,2,0,1,0,0|0,1,0]=4 50978 B12R1.272 OCCCCCSCC1COC1 62a_100010264016_100000746330 [0,2,0,1,0,0|0,1,0]=4 50979 B12R1.272 OCCCCOCCC1COC1 34a_100009855314_100011216708 [0,2,0,1,0,0|0,0,0]=3 50980 B12R1.272 OCCOCCNCC1CCC1 2230a_100000211614_100000763275 [0,2,0,1,0,0|1,0,0]=4 50981 B12R1.272 OCCOCCNCC1CCC1 2230a_100000738700_100011215305 [0,2,0,1,0,0|1,0,0]=4 50982 B12R1.272 OCCOCCNCC1CCC1 269862a_100000211614_100000753134 [0,2,0,1,0,0|1,0,0]=4 50983 B12R1.272 OCCOCCNCC1CCC1 34a_100000211614_100000763275 [0,2,0,1,0,0|1,0,0]=4 50984 B12R1.272 OCCOCCNCC1CCC1 34a_100000738700_100000692535 [0,2,0,1,0,0|1,0,0]=4 50985 B12R1.272 OCCOCCOCC1CCC1 34a_100000760304_100000692535 [0,2,0,1,0,0|0,0,0]=3 50986 B12R1.272 OCCOCCOCC1CCO1 34a_100000039022_100000692535 [0,2,0,1,0,0|1,0,0]=4 50987 B12R1.272 OCCOCCOCC1CNC1 34a_100016987283_100000692535 [0,2,0,1,0,0|1,0,0]=4 50988 B12R1.272 OCCOCCOCC1COC1 34a_100000060846_100000692535 [0,2,0,1,0,0|1,0,0]=4 50989 B12R1.272 OCCOCCSCC1CCC1 62a_100000763275_100011215305 [0,2,0,1,0,0|0,1,0]=4 50990 B12R1.272 OCCOCCSCC1CCC1 62a_100011215305_100000763275 [0,2,0,1,0,0|0,1,0]=4 50991 B12R1.272 OCCSCCNCC1CCC1 2230a_100011219999_100000763275 [0,2,0,1,0,0|1,0,0]=4 50992 B12R1.272 OCCSCCNCC1CCC1 269862a_100011219999_100000753134 [0,2,0,1,0,0|1,0,0]=4 50993 B12R1.355 CNC(=O)CCOCC1CC1C 34a_100000744939_100012179268 [0,2,0,1,0,0|0,0,1]=4 50994 B12R1.355 CNC(=O)CCOCC1CC1C 7a_100000744939_100000737683 [0,2,0,1,0,0|0,0,1]=4 50995 B12R1.355 COC(=O)CCOCC1CC1C 34a_100000744939_100000742370 [0,2,0,1,0,0|0,0,1]=4 50996 B12R1.355 COC(=O)CCOCC1CC1C 7a_100000744939_100000204255 [0,2,0,1,0,0|0,0,1]=4 50997 B12R1.356 CC(CO)CCNCC1CCC1 2230a_106354213184_100000763275 [0,2,0,1,0,0|1,0,0]=4 50998 B12R1.356 CC(CO)CCNCC1CCC1 269862a_106354213184_100000753134 [0,2,0,1,0,0|1,0,0]=4 50999 B12R1.356 CC(CO)CCNCC1CCC1 34a_106354213184_100000763275 [0,2,0,1,0,0|1,0,0]=4 51000 B12R1.356 CCC(=O)NCCOC1CCC1 34a_200000158885_100000749161 [0,2,0,1,0,0|0,0,1]=4 51001 B12R1.356 CCC(C)CCCOC1COC1 7a_100011216074_100009818527 [0,2,0,1,0,0|1,0,0]=4 51002 B12R1.356 CCC(C)CCNCC1CCC1 2230a_100020591266_100000763275 [0,2,0,1,0,0|1,0,0]=4 51003 B12R1.356 CCC(C)CCNCC1CCC1 269862a_100020591266_100000753134 [0,2,0,1,0,0|1,0,0]=4 51004 B12R1.356 CCC(C)CCNCC1CCO1 2230a_100020591266_100000103362 [0,2,0,1,0,0|1,0,0]=4 51005 B12R1.356 CCC(C)CCNCC1COC1 2230a_100020591266_100010264016 [0,2,0,1,0,0|1,0,0]=4 51006 B12R1.356 CCC(C)CCOCC1CCC1 7a_100011215188_100000763275 [0,2,0,1,0,0|0,0,0]=3 51007 B12R1.356 CCC(C)CCOCC1CCO1 7a_100011215188_100000103362 [0,2,0,1,0,0|0,0,0]=3 51008 B12R1.356 CCC(C)CCOCC1COC1 7a_100011215188_100010264016 [0,2,0,1,0,0|0,0,0]=3 51009 B12R1.356 CCC(C)COCCC1COC1 34a_100009855314_100000748023 [0,2,0,1,0,0|0,0,0]=3 51010 B12R1.356 CCC(O)COCCC1COC1 34a_100009855314_100011218378 [0,2,0,1,0,0|0,0,0]=3 51011 B12R1.356 CCN(C)CCCNC1CCC1 2230a_100000749019_100015186262 [0,2,0,1,0,0|1,0,0]=4 51012 B12R1.356 CCN(C)CCCOC1CSC1 7a_100000072292_100015186262 [0,2,0,1,0,0|1,0,0]=4 51013 B12R1.356 CC[C@H](C)COCCC1COC1 34a_100009855314_100009816398 [0,2,0,1,0,0|0,0,0]=3 51014 B12R1.356 CNC(=O)CCCOC1CCC1 34a_100000748187_100000741757 [0,2,0,1,0,0|0,0,1]=4 51015 B12R1.356 CNC(=O)CCOCC1CCC1 34a_100000754576_100000763275 [0,2,0,1,0,0|0,0,1]=4 51016 B12R1.356 CNC(=O)CCOCC1CCC1 34a_100000760304_100012179268 [0,2,0,1,0,0|0,0,1]=4 51017 B12R1.356 COC(=O)CCCOC1CCC1 34a_100000748187_100000742333 [0,2,0,1,0,0|0,0,1]=4 51018 B12R1.356 COC(=O)CCOCC1CCC1 34a_100000760304_100000742370 [0,2,0,1,0,0|0,0,1]=4 51019 B12R1.356 COC(C)CCOCC1CCC1 7a_100000764861_100000763275 [0,2,0,1,0,0|0,0,0]=3 51020 B12R1.356 COC(C)CCOCC1CCO1 7a_100000764861_100000103362 [0,2,0,1,0,0|1,0,0]=4 51021 B12R1.356 COC(C)CCOCC1COC1 7a_100000764861_100010264016 [0,2,0,1,0,0|1,0,0]=4 51022 B12R1.356 C[C@@H](CN)CCCOC1CCC1 34a_100160569302_100000749161 [0,2,0,1,0,0|0,0,0]=3 51023 B12R1.356 C[C@@H](CN)CCCOC1COC1 34a_100160569302_100009818527 [0,2,0,1,0,0|1,0,0]=4 51024 B12R1.356 C[C@@H](CO)COCCC1COC1 34a_100009855314_100000059175 [0,2,0,1,0,0|1,0,0]=4 51025 B12R1.356 OCC(O)COCCC1COC1 34a_100009855314_100011219619 [0,2,0,1,0,0|1,0,0]=4 51026 B12R1.356 OC[C@H](O)COCCC1COC1 34a_100009855314_100009815848 [0,2,0,1,0,0|1,0,0]=4 51027 B12R1.356 O[C@@H](CF)COCCC1COC1 34a_100009855314_100015614560 [0,2,0,1,0,0|1,0,0]=4 51028 B12R1.360 CC(CN)COCCCC1CO1 34a_100000744482_100000733510 [0,2,0,1,0,0|1,0,0]=4 51029 B12R1.360 CC(CO)CCNCCC1CC1 2230a_106354213184_100000694398 [0,2,0,1,0,0|1,0,0]=4 51030 B12R1.360 CC(CO)CCNCCC1CC1 34a_106354213184_100000694398 [0,2,0,1,0,0|1,0,0]=4 51031 B12R1.360 CCC(=O)COCCCC1CO1 34a_100000725409_100000733510 [0,2,0,1,0,0|0,0,1]=4 51032 B12R1.360 CCC(=O)NCCOCC1CC1 34a_200000158885_100000742324 [0,2,0,1,0,0|0,0,1]=4 51033 B12R1.360 CCC(=O)NCCOCC1CC1 7a_200000158885_100000742324 [0,2,0,1,0,0|0,0,1]=4 51034 B12R1.360 CCC(=O)OCCOCC1CC1 7a_200000031056_100000742324 [0,2,0,1,0,0|0,0,1]=4 51035 B12R1.360 CCC(C)CCCOCC1CC1 7a_100011216074_100000742324 [0,2,0,1,0,0|0,0,0]=3 51036 B12R1.360 CCC(C)CCCOCC1CO1 7a_100011216074_102125554688 [0,2,0,1,0,0|1,0,0]=4 51037 B12R1.360 CCC(C)CCCOCC1CS1 7a_100011216074_100000031435 [0,2,0,1,0,0|1,0,0]=4 51038 B12R1.360 CCC(C)CCCOC[C@@H]1CO1 7a_100011216074_100000745022 [0,2,0,1,0,0|1,0,0]=4 51039 B12R1.360 CCC(C)CCNCCC1CC1 2230a_100020591266_100000694398 [0,2,0,1,0,0|1,0,0]=4 51040 B12R1.360 CCC(C)CCNCCC1CO1 2230a_100020591266_100000732470 [0,2,0,1,0,0|1,0,0]=4 51041 B12R1.360 CCC(C)CCOCCC1CC1 7a_100011215188_100000764125 [0,2,0,1,0,0|0,0,0]=3 51042 B12R1.360 CCC(C)CCOCCC1CO1 7a_100011215188_100000732470 [0,2,0,1,0,0|0,0,0]=3 51043 B12R1.360 CCC(C)CNCCCC1CO1 2230a_100020588543_100000733510 [0,2,0,1,0,0|1,0,0]=4 51044 B12R1.360 CCC(C)COCC#CC1CC1 34a_100000083941_100000748023 [0,2,0,1,0,0|0,0,1]=4 51045 B12R1.360 CCC(C)COCC#CC1CC1 7a_100000083941_100000748023 [0,2,0,1,0,0|0,0,1]=4 51046 B12R1.360 CCC(C)COCCNC1CC1 34a_100000738766_100000748023 [0,2,0,1,0,0|0,0,0]=3 51047 B12R1.360 CCC(C)CSCCCC1CO1 62a_100000733510_100000748023 [0,2,0,1,0,0|0,1,0]=4 51048 B12R1.360 CCC(C)CSCCCC1CO1 62a_100000748023_100000733510 [0,2,0,1,0,0|0,1,0]=4 51049 B12R1.360 CCC(O)CNCCCC1CO1 2230a_100011218483_100000733510 [0,2,0,1,0,0|1,0,0]=4 51050 B12R1.360 CCC(O)COCC#CC1CC1 34a_100000083941_100011218378 [0,2,0,1,0,0|0,0,1]=4 51051 B12R1.360 CCC(O)COCC#CC1CC1 7a_100000083941_100011218378 [0,2,0,1,0,0|0,0,1]=4 51052 B12R1.360 CCC(O)COCCNC1CC1 34a_100000738766_100011218378 [0,2,0,1,0,0|0,0,0]=3 51053 B12R1.360 CCC(O)CSCCCC1CO1 62a_100000733510_100011218378 [0,2,0,1,0,0|0,1,0]=4 51054 B12R1.360 CCC(O)CSCCCC1CO1 62a_100011218378_100000733510 [0,2,0,1,0,0|0,1,0]=4 51055 B12R1.360 CCN(C)CCCNCC1CC1 2230a_100000735609_100015186262 [0,2,0,1,0,0|1,0,0]=4 51056 B12R1.360 CCN(C)CCCSCC1CC1 62a_100000756562_100015186262 [0,2,0,1,0,0|0,1,0]=4 51057 B12R1.360 CC[C@H](C)COCC#CC1CC1 34a_100000083941_100009816398 [0,2,0,1,0,0|0,0,1]=4 51058 B12R1.360 CC[C@H](C)COCC#CC1CC1 7a_100000083941_100009816398 [0,2,0,1,0,0|0,0,1]=4 51059 B12R1.360 CC[C@H](C)COCC#CC1CC1 7a_100009816381_100009895102 [0,2,0,1,0,0|0,0,1]=4 51060 B12R1.360 CC[C@H](C)COCCCC1CO1 7a_100009816381_100000733510 [0,2,0,1,0,0|0,0,0]=3 51061 B12R1.360 CC[C@H](C)COCCNC1CC1 34a_100000738766_100009816398 [0,2,0,1,0,0|0,0,0]=3 51062 B12R1.360 CC[C@H](C)CSCCCC1CO1 62a_100000733510_100009816398 [0,2,0,1,0,0|0,1,0]=4 51063 B12R1.360 CC[C@H](C)CSCCCC1CO1 62a_100009816398_100000733510 [0,2,0,1,0,0|0,1,0]=4 51064 B12R1.360 CNC(=O)CCCOCC1CC1 34a_100000211283_100000741757 [0,2,0,1,0,0|0,0,1]=4 51065 B12R1.360 CNC(=O)CCOCCC1CC1 34a_100000754188_100012179268 [0,2,0,1,0,0|0,0,1]=4 51066 B12R1.360 CNC(=O)CCOCCC1CC1 34a_100000754576_100000694398 [0,2,0,1,0,0|0,0,1]=4 51067 B12R1.360 CNC(=O)CCOCCC1CC1 7a_100000754188_100000737683 [0,2,0,1,0,0|0,0,1]=4 51068 B12R1.360 COC(=O)CCCOCC1CC1 34a_100000211283_100000742333 [0,2,0,1,0,0|0,0,1]=4 51069 B12R1.360 COC(=O)CCOCCC1CC1 34a_100000754188_100000742370 [0,2,0,1,0,0|0,0,1]=4 51070 B12R1.360 COC(=O)CCOCCC1CC1 7a_100000754188_100000204255 [0,2,0,1,0,0|0,0,1]=4 51071 B12R1.360 COC(C)CCOCCC1CC1 7a_100000764861_100000764125 [0,2,0,1,0,0|0,0,0]=3 51072 B12R1.360 COC(C)CCOCCC1CO1 7a_100000764861_100000732470 [0,2,0,1,0,0|1,0,0]=4 51073 B12R1.360 COC(C)COCCCC1CO1 34a_100000690652_100000733510 [0,2,0,1,0,0|1,0,0]=4 51074 B12R1.360 C[C@@H](CN)CCCOCC1CC1 34a_100160569302_100000742324 [0,2,0,1,0,0|0,0,0]=3 51075 B12R1.360 C[C@@H](CN)CCCOCC1CO1 34a_100160569302_102125554688 [0,2,0,1,0,0|1,0,0]=4 51076 B12R1.360 C[C@@H](CO)COCCNC1CC1 34a_100000738766_100000059175 [0,2,0,1,0,0|1,0,0]=4 51077 B12R1.360 ClCC(Cl)COCCCC1CO1 34a_100000033668_100000733510 [0,2,0,1,0,0|1,0,0]=4 51078 B12R1.360 NC[C@@H](F)COCCCC1CO1 34a_100015665980_100000733510 [0,2,0,1,0,0|1,0,0]=4 51079 B12R1.360 OCC(O)COCCNC1CC1 34a_100000738766_100011219619 [0,2,0,1,0,0|1,0,0]=4 51080 B12R1.360 OC[C@H](O)COCCNC1CC1 34a_100000738766_100009815848 [0,2,0,1,0,0|1,0,0]=4 51081 B12R1.360 O[C@@H](CF)COCCNC1CC1 34a_100000738766_100015614560 [0,2,0,1,0,0|1,0,0]=4 51082 B12R1.364 CCC(C)CCOC1CCC1=O 7a_100011215188_100009892977 [0,2,0,1,0,0|0,0,1]=4 51083 B12R1.364 CCN(C)CCCN1CCC1C 269982a_100000755817_100015186262 [0,2,0,1,0,0|1,0,0]=4 51084 B12R1.371 CCC(C)CN1CCCCC1C 2230a_100000211376_100000748023 [0,2,0,1,0,0|1,0,0]=4 51085 B12R1.371 CCC(C)CN1CCCCC1C 269982a_100000211376_100000748023 [0,2,0,1,0,0|1,0,0]=4 51086 B12R1.371 CCC(C)CN1CCCCC1C 270004a_100000211376_100000243153 [0,2,0,1,0,0|1,0,0]=4 51087 B12R1.371 CCC(C)CN1CCCCC1C 34a_100000211376_100000748023 [0,2,0,1,0,0|1,0,0]=4 51088 B12R1.371 CCC(C)CN1CCOC[C@@H]1C 2230a_100009815349_100000748023 [0,2,0,1,0,0|1,0,0]=4 51089 B12R1.371 CCC(C)CN1CCOC[C@@H]1C 269982a_100009815349_100000748023 [0,2,0,1,0,0|1,0,0]=4 51090 B12R1.371 CCC(C)CN1CCOC[C@@H]1C 270004a_100009815349_100000243153 [0,2,0,1,0,0|1,0,0]=4 51091 B12R1.371 CCC(C)CN1CCOC[C@@H]1C 34a_100009815349_100000748023 [0,2,0,1,0,0|1,0,0]=4 51092 B12R1.371 CCC(C)NC1CCCCC1C 2230a_100000211402_100000758301 [0,2,0,1,0,0|1,0,0]=4 51093 B12R1.371 CCC(C)NC1CCCCC1C 269862a_100000209981_100000210921 [0,2,0,1,0,0|1,0,0]=4 51094 B12R1.371 CCC(C)NC1CCCCC1C 270004a_100000209981_100000210921 [0,2,0,1,0,0|1,0,0]=4 51095 B12R1.371 CCC(C)NC1CCCCC1C 34a_100000211402_100011215416 [0,2,0,1,0,0|1,0,0]=4 51096 B12R1.371 CCC(C)N[C@H]1COCC[C@@H]1O 2230a_100015739063_100000758301 [0,2,0,1,0,0|1,0,0]=4 51097 B12R1.371 CCC(C)OC1CCCCC1C 34a_100000211207_100011215416 [0,2,0,1,0,0|1,0,0]=4 51098 B12R1.371 CCC(C)OC1CCCCC1C 7a_100000211207_100000758301 [0,2,0,1,0,0|1,0,0]=4 51099 B12R1.371 CCC(C)OC1CNCCC1C 34a_100000696640_100011215416 [0,2,0,1,0,0|1,0,0]=4 51100 B12R1.371 CCC(C)O[C@H]1COCC[C@H]1N 34a_100016994285_100011215416 [0,2,0,1,0,0|1,0,0]=4 51101 B12R1.371 CCC(O)CN1CCCCC1C 2230a_100000211376_100011218378 [0,2,0,1,0,0|1,0,0]=4 51102 B12R1.371 CCC(O)CN1CCCCC1C 269982a_100000211376_100011218378 [0,2,0,1,0,0|1,0,0]=4 51103 B12R1.371 CCC(O)CN1CCCCC1C 34a_100000211376_100011218378 [0,2,0,1,0,0|1,0,0]=4 51104 B12R1.371 CCC(O)CN1CCOC[C@@H]1C 2230a_100009815349_100011218378 [0,2,0,1,0,0|1,0,0]=4 51105 B12R1.371 CCC(O)CN1CCOC[C@@H]1C 269982a_100009815349_100011218378 [0,2,0,1,0,0|1,0,0]=4 51106 B12R1.371 CCC(O)CN1CCOC[C@@H]1C 34a_100009815349_100011218378 [0,2,0,1,0,0|1,0,0]=4 51107 B12R1.371 CC[C@H](C)CN1CCCCC1C 2230a_100000211376_100009816398 [0,2,0,1,0,0|1,0,0]=4 51108 B12R1.371 CC[C@H](C)CN1CCCCC1C 269982a_100000211376_100009816398 [0,2,0,1,0,0|1,0,0]=4 51109 B12R1.371 CC[C@H](C)CN1CCCCC1C 34a_100000211376_100009816398 [0,2,0,1,0,0|1,0,0]=4 51110 B12R1.371 CC[C@H](C)CN1CCOC[C@@H]1C 2230a_100009815349_100009816398 [0,2,0,1,0,0|1,0,0]=4 51111 B12R1.371 CC[C@H](C)CN1CCOC[C@@H]1C 269982a_100009815349_100009816398 [0,2,0,1,0,0|1,0,0]=4 51112 B12R1.371 CC[C@H](C)CN1CCOC[C@@H]1C 34a_100009815349_100009816398 [0,2,0,1,0,0|1,0,0]=4 51113 B12R1.383 C#CCCCCCN1CCC1C 269982a_100000755817_100012094781 [0,2,0,1,0,0|1,0,0]=4 51114 B12R1.383 C#CCCCCCN1CCC1C 34a_100000755817_100012094781 [0,2,0,1,0,0|1,0,0]=4 51115 B12R1.383 C=CCCCCCN1CCC1C 269982a_100000755817_100000700193 [0,2,0,1,0,0|1,0,0]=4 51116 B12R1.383 C=CCCCCCN1CCC1C 34a_100000755817_100000700193 [0,2,0,1,0,0|1,0,0]=4 51117 B12R1.383 CC1CCN1CCCCCC#N 269982a_100000755817_100009813376 [0,2,0,1,0,0|1,0,0]=4 51118 B12R1.383 CC1CCN1CCCCCC=O 269982a_100000755817_100000139337 [0,2,0,1,0,0|1,0,0]=4 51119 B12R1.383 CC1CCN1CCCCCCF 269982a_100000755817_100015922095 [0,2,0,1,0,0|1,0,0]=4 51120 B12R1.383 CC1CCN1CCCCCCF 34a_100000755817_100015922095 [0,2,0,1,0,0|1,0,0]=4 51121 B12R1.383 CC1CCN1CCCCCCO 269982a_100000755817_100000766143 [0,2,0,1,0,0|1,0,0]=4 51122 B12R1.383 CC1CCN1CCCCCCO 34a_100000755817_100000766143 [0,2,0,1,0,0|1,0,0]=4 51123 B12R1.383 CCCCCCCN1CCC1C 269982a_100000755817_100000210681 [0,2,0,1,0,0|1,0,0]=4 51124 B12R1.383 CCCCCCCN1CCC1C 34a_100000755817_100000210614 [0,2,0,1,0,0|1,0,0]=4 51125 B12R1.383 CCCCCCOC1CCC1=O 34a_100000210259_100009892977 [0,2,0,1,0,0|0,0,1]=4 51126 B12R1.383 CCCCCCOC1CCC1=O 7a_100000210259_100009892977 [0,2,0,1,0,0|0,0,1]=4 51127 B12R1.383 CCCCNCCC1CCC1=O 2230a_100000102301_200016118888 [0,2,0,1,0,0|1,0,0]=4 51128 B12R1.383 CCCCNCCC1CCC1=O 7a_106832991798_200016118888 [0,2,0,1,0,0|1,0,0]=4 51129 B12R1.383 CCCCOCCC1CCC1=O 7a_100000210227_200016118888 [0,2,0,1,0,0|0,0,0]=3 51130 B12R1.383 CCCCOCCN1CCC1C 269982a_100000755817_100000743108 [0,2,0,1,0,0|0,0,0]=3 51131 B12R1.383 CCCCOCCN1CCC1C 34a_100000755817_100000743108 [0,2,0,1,0,0|0,0,0]=3 51132 B12R1.383 CCCCOCSC1CCC1=O 62a_100009892977_100011995733 [0,2,0,1,0,0|0,0,1]=4 51133 B12R1.383 CCCCOCSC1CCC1=O 62a_100011995733_100009892977 [0,2,0,1,0,0|0,0,1]=4 51134 B12R1.383 CCCCSCCC1CCC1=O 62a_100000210211_200016118888 [0,2,0,1,0,0|0,1,0]=4 51135 B12R1.383 CCCCSCCC1CCC1=O 62a_200016118888_100000210210 [0,2,0,1,0,0|0,1,0]=4 51136 B12R1.383 CCCOCCOC1CCC1=O 34a_100000752267_100009892977 [0,2,0,1,0,0|0,0,1]=4 51137 B12R1.383 CCCOCCOC1CCC1=O 7a_100000752267_100009892977 [0,2,0,1,0,0|0,0,1]=4 51138 B12R1.383 CCCSCCOC1CCC1=O 34a_200000230433_100009892977 [0,2,0,1,0,0|0,0,1]=4 51139 B12R1.383 CCCSCCOC1CCC1=O 7a_200000230433_100009892977 [0,2,0,1,0,0|0,0,1]=4 51140 B12R1.383 CCOCCCOC1CCC1=O 34a_100000757476_100009892977 [0,2,0,1,0,0|0,0,1]=4 51141 B12R1.383 CCOCCCOC1CCC1=O 7a_100000757476_100009892977 [0,2,0,1,0,0|0,0,1]=4 51142 B12R1.383 CCSCCCOC1CCC1=O 34a_100011216438_100009892977 [0,2,0,1,0,0|0,0,1]=4 51143 B12R1.383 CCSCCCOC1CCC1=O 7a_100011216438_100009892977 [0,2,0,1,0,0|0,0,1]=4 51144 B12R1.383 COCCCCOC1CCC1=O 34a_100000740925_100009892977 [0,2,0,1,0,0|0,0,1]=4 51145 B12R1.383 COCCOCCN1CCC1C 269982a_100000755817_100000695917 [0,2,0,1,0,0|1,0,0]=4 51146 B12R1.383 COCCOCCN1CCC1C 34a_100000755817_100000695917 [0,2,0,1,0,0|1,0,0]=4 51147 B12R1.383 CSCCCCOC1CCC1=O 34a_100011217163_100009892977 [0,2,0,1,0,0|0,0,1]=4 51148 B12R1.383 CSCCCCOC1CCC1=O 7a_100011217163_100009892977 [0,2,0,1,0,0|0,0,1]=4 51149 B12R1.383 CSCCOCCC1CCC1=O 7a_100000230434_200016118888 [0,2,0,1,0,0|1,0,0]=4 51150 B12R1.383 NCCCCCOC1CCC1=O 34a_100000762737_100009892977 [0,2,0,1,0,0|0,0,1]=4 51151 B12R1.383 O=C1CCC1OCCCCCBr 34a_100000746331_100009892977 [0,2,0,1,0,0|0,0,1]=4 51152 B12R1.383 O=C1CCC1OCCCCCBr 7a_100000746331_100009892977 [0,2,0,1,0,0|0,0,1]=4 51153 B12R1.383 O=C1CCC1OCCCCCCl 34a_100000746330_100009892977 [0,2,0,1,0,0|0,0,1]=4 51154 B12R1.383 O=C1CCC1OCCCCCCl 7a_100000746330_100009892977 [0,2,0,1,0,0|0,0,1]=4 51155 B12R1.383 O=C1CCC1OCCCCCI 34a_200012148887_100009892977 [0,2,0,1,0,0|0,0,1]=4 51156 B12R1.383 O=C1CCC1OCCCCCI 7a_200012148887_100009892977 [0,2,0,1,0,0|0,0,1]=4 51157 B12R1.387 CCCCN1CCC[C@@]1(C)CO 2230a_100016195882_100000210211 [0,2,0,1,0,0|1,0,0]=4 51158 B12R1.387 CCCCN1CCC[C@@]1(C)CO 269982a_100016195882_100000210211 [0,2,0,1,0,0|1,0,0]=4 51159 B12R1.387 CCCCN1CCC[C@@]1(C)CO 34a_100016195882_100000210210 [0,2,0,1,0,0|1,0,0]=4 51160 B12R1.455 CCCCCN1CCC(C1)C#N 2230a_100016989334_100000210326 [0,2,0,1,0,0|1,0,0]=4 51161 B12R1.455 CCCCCN1CCC(C1)CO 2230a_100000748654_100000210326 [0,2,0,1,0,0|1,0,0]=4 51162 B12R1.455 CCCCCN1CCC(C1)CO 269982a_100000748654_100000210215 [0,2,0,1,0,0|1,0,0]=4 51163 B12R1.455 CCCCCN1CCC(C1)CO 34a_100000748654_100000718602 [0,2,0,1,0,0|1,0,0]=4 51164 B12R1.455 CCCCCN1CC[C@H](C1)OC 2230a_100000766984_100000210326 [0,2,0,1,0,0|1,0,0]=4 51165 B12R1.455 CCCCCN1CC[C@H](C1)OC 269982a_100000766984_100000210215 [0,2,0,1,0,0|1,0,0]=4 51166 B12R1.455 CCCCNC1CCC(C1)C#N 270004a_100000102301_100000717688 [0,2,0,1,0,0|1,0,0]=4 51167 B12R1.455 CCCCNC1CCC(C1)CC 270004a_100000102301_100011218773 [0,2,0,1,0,0|1,0,0]=4 51168 B12R1.455 CCCCNC1CCN(C1)CC 2230a_100015188829_100000210211 [0,2,0,1,0,0|1,0,0]=4 51169 B12R1.455 CCCCNC1CCN(C1)CC 7a_106832991798_200011861547 [0,2,0,1,0,0|1,0,0]=4 51170 B12R1.455 CCCCOC1CCN(C1)CC 7a_100000210227_200011861547 [0,2,0,1,0,0|0,0,0]=3 51171 B12R1.455 CCCCSC1CCN(C1)CC 62a_100000210211_200011861547 [0,2,0,1,0,0|0,1,0]=4 51172 B12R1.455 CCN1CCC(C1)OCCSC 7a_100000230434_200011861547 [0,2,0,1,0,0|1,0,0]=4 51173 B12R1.821 C#CCCCCOCC1(CC1)C 7a_100000698024_100010269958 [0,2,0,1,0,0|0,0,1]=4 51174 B12R1.821 C#CCCCCOCC1(CC1)F 34a_200000703853_100010269958 [0,2,0,1,0,0|0,0,1]=4 51175 B12R1.821 C#CCCCCOCC1(CC1)F 7a_200000703853_100010269958 [0,2,0,1,0,0|0,0,1]=4 51176 B12R1.821 C=CCCCCOCC1(CC1)C 7a_100000698024_100011215482 [0,2,0,1,0,0|0,0,1]=4 51177 B12R1.821 C=CCCCCOCC1(CC1)F 34a_200000703853_100011215482 [0,2,0,1,0,0|0,0,1]=4 51178 B12R1.821 C=CCCCCOCC1(CC1)F 7a_200000703853_100011215482 [0,2,0,1,0,0|0,0,1]=4 51179 B12R1.821 CC/C=C\CCOCC1(CC1)C 7a_100000698024_100015370543 [0,2,0,1,0,0|0,0,1]=4 51180 B12R1.821 CC/C=C\CCOCC1(CC1)F 34a_200000703853_100015370543 [0,2,0,1,0,0|0,0,1]=4 51181 B12R1.821 CC/C=C\CCOCC1(CC1)F 7a_200000703853_100015370543 [0,2,0,1,0,0|0,0,1]=4 51182 B12R1.821 CC1(CC1)CNCCCCCF 2230a_100000766693_100000729378 [0,2,0,1,0,0|1,0,0]=4 51183 B12R1.821 CC1(CC1)CNCCCCCO 2230a_100000766693_100000746330 [0,2,0,1,0,0|1,0,0]=4 51184 B12R1.821 CC1(CC1)COCCCCC#N 7a_100000698024_100000211819 [0,2,0,1,0,0|0,0,1]=4 51185 B12R1.821 CC1(CC1)COCCCCC=O 7a_100000698024_100000139335 [0,2,0,1,0,0|0,0,1]=4 51186 B12R1.821 CC1(CC1)COCCCCCF 7a_100000698024_100000729378 [0,2,0,1,0,0|0,0,0]=3 51187 B12R1.821 CC1(CC1)COCCCCCO 7a_100000698024_100000746330 [0,2,0,1,0,0|0,0,0]=3 51188 B12R1.821 CC1(CC1)COCCOCCO 7a_100000698024_100011215305 [0,2,0,1,0,0|1,0,0]=4 51189 B12R1.821 CC1(CO1)COCCCCCBr 34a_100000746331_100000760498 [0,2,0,1,0,0|1,0,0]=4 51190 B12R1.821 CC1(CO1)COCCCCCCl 34a_100000746330_100000760498 [0,2,0,1,0,0|1,0,0]=4 51191 B12R1.821 CC1(CO1)COCCCCCI 34a_200012148887_100000760498 [0,2,0,1,0,0|1,0,0]=4 51192 B12R1.821 CC1(CO1)COCCCCCN 34a_100000762737_100000760498 [0,2,0,1,0,0|1,0,0]=4 51193 B12R1.821 CC1(N=N1)CCOCCCCF 34a_100009880064_100000729493 [0,2,0,1,0,0|1,0,0]=4 51194 B12R1.821 CC1(N=N1)CCOCCCCO 34a_100009880064_100011216708 [0,2,0,1,0,0|1,0,0]=4 51195 B12R1.821 CCCCCCCNC1(CC1)C 2230a_100000757604_100000210681 [0,2,0,1,0,0|1,0,0]=4 51196 B12R1.821 CCCCCCCOC1(CC1)C 7a_100011725673_100000210614 [0,2,0,1,0,0|1,0,0]=4 51197 B12R1.821 CCCCCCNCC1(CC1)C 2230a_100000766693_100000210314 [0,2,0,1,0,0|1,0,0]=4 51198 B12R1.821 CCCCCCNCC1(CC1)O 2230a_100011936951_100000210314 [0,2,0,1,0,0|1,0,0]=4 51199 B12R1.821 CCCCCCOCC1(CC1)C 7a_100000698024_100000210314 [0,2,0,1,0,0|0,0,0]=3 51200 B12R1.821 CCCCCCOCC1(CC1)F 34a_200000703853_100000210314 [0,2,0,1,0,0|0,0,0]=3 51201 B12R1.821 CCCCCCOCC1(CC1)F 7a_200000703853_100000210314 [0,2,0,1,0,0|0,0,0]=3 51202 B12R1.821 CCCCCCOCC1(CO1)C 34a_100000210259_100000760498 [0,2,0,1,0,0|1,0,0]=4 51203 B12R1.821 CCCCCOCCC1(N=N1)C 34a_100009880064_100000718602 [0,2,0,1,0,0|0,0,0]=3 51204 B12R1.821 CCCCOCCNC1(CC1)C 2230a_100000757604_100000743108 [0,2,0,1,0,0|0,0,0]=3 51205 B12R1.821 CCCCOCCOC1(CC1)C 7a_100011725673_100000743108 [0,2,0,1,0,0|0,0,0]=3 51206 B12R1.821 CCCCOCNCC1(CC1)C 2230a_100000766693_100011995733 [0,2,0,1,0,0|0,0,0]=3 51207 B12R1.821 CCCCOCNCC1(CC1)O 2230a_100011936951_100011995733 [0,2,0,1,0,0|0,0,0]=3 51208 B12R1.821 CCCCOCOCC1(CC1)F 34a_200000703853_100011995733 [0,2,0,1,0,0|0,0,0]=3 51209 B12R1.821 CCCCOCSCC1(CO1)C 62a_100000760498_100011995733 [0,2,0,1,0,0|1,0,0]=4 51210 B12R1.821 CCCCOCSCC1(CO1)C 62a_100011995733_100000760498 [0,2,0,1,0,0|1,0,0]=4 51211 B12R1.821 CCCOCCNCC1(CC1)C 2230a_100000766693_100011215938 [0,2,0,1,0,0|1,0,0]=4 51212 B12R1.821 CCCOCCNCC1(CC1)O 2230a_100011936951_100011215938 [0,2,0,1,0,0|1,0,0]=4 51213 B12R1.821 CCCOCCOCC1(CC1)C 7a_100000698024_100011215938 [0,2,0,1,0,0|0,0,0]=3 51214 B12R1.821 CCCOCCOCC1(CC1)F 34a_200000703853_100011215938 [0,2,0,1,0,0|0,0,0]=3 51215 B12R1.821 CCCOCCOCC1(CC1)F 7a_200000703853_100011215938 [0,2,0,1,0,0|0,0,0]=3 51216 B12R1.821 CCCOCCOCC1(CO1)C 34a_100000752267_100000760498 [0,2,0,1,0,0|1,0,0]=4 51217 B12R1.821 CCCSCCOCC1(CO1)C 34a_200000230433_100000760498 [0,2,0,1,0,0|1,0,0]=4 51218 B12R1.821 CCOCCCNCC1(CC1)C 2230a_100000766693_100012232248 [0,2,0,1,0,0|1,0,0]=4 51219 B12R1.821 CCOCCCNCC1(CC1)O 2230a_100011936951_100012232248 [0,2,0,1,0,0|1,0,0]=4 51220 B12R1.821 CCOCCCOCC1(CC1)C 7a_100000698024_100012232248 [0,2,0,1,0,0|0,0,0]=3 51221 B12R1.821 CCOCCCOCC1(CC1)F 34a_200000703853_100012232248 [0,2,0,1,0,0|0,0,0]=3 51222 B12R1.821 CCOCCCOCC1(CC1)F 7a_200000703853_100012232248 [0,2,0,1,0,0|0,0,0]=3 51223 B12R1.821 CCOCCCOCC1(CO1)C 34a_100000757476_100000760498 [0,2,0,1,0,0|1,0,0]=4 51224 B12R1.821 CCOCCOCCC1(N=N1)C 34a_100009880064_100000210147 [0,2,0,1,0,0|1,0,0]=4 51225 B12R1.821 CCSCCCOCC1(CO1)C 34a_100011216438_100000760498 [0,2,0,1,0,0|1,0,0]=4 51226 B12R1.821 CCSCCOCCC1(N=N1)C 34a_100009880064_100000757381 [0,2,0,1,0,0|1,0,0]=4 51227 B12R1.821 COCCCCNCC1(CC1)C 2230a_100000766693_100000730899 [0,2,0,1,0,0|1,0,0]=4 51228 B12R1.821 COCCCCNCC1(CC1)O 2230a_100011936951_100000730899 [0,2,0,1,0,0|1,0,0]=4 51229 B12R1.821 COCCCCOCC1(CC1)C 7a_100000698024_100000730899 [0,2,0,1,0,0|0,0,0]=3 51230 B12R1.821 COCCCCOCC1(CC1)F 34a_200000703853_100000755781 [0,2,0,1,0,0|0,0,0]=3 51231 B12R1.821 COCCCCOCC1(CC1)F 7a_200000703853_100000730899 [0,2,0,1,0,0|0,0,0]=3 51232 B12R1.821 COCCCCOCC1(CO1)C 34a_100000740925_100000760498 [0,2,0,1,0,0|1,0,0]=4 51233 B12R1.821 COCCCOCCC1(N=N1)C 34a_100009880064_100000740836 [0,2,0,1,0,0|1,0,0]=4 51234 B12R1.821 COCCOCCNC1(CC1)C 2230a_100000757604_100000695917 [0,2,0,1,0,0|1,0,0]=4 51235 B12R1.821 COCCOCCOC1(CC1)C 7a_100011725673_100000695917 [0,2,0,1,0,0|1,0,0]=4 51236 B12R1.821 COCCOCNCC1(CC1)C 2230a_100000766693_100000231047 [0,2,0,1,0,0|1,0,0]=4 51237 B12R1.821 COCCOCNCC1(CC1)O 2230a_100011936951_100000231047 [0,2,0,1,0,0|1,0,0]=4 51238 B12R1.821 CSCCCCOCC1(CO1)C 34a_100011217163_100000760498 [0,2,0,1,0,0|1,0,0]=4 51239 B12R1.821 FCCCCCOCC1(CC1)F 34a_200000703853_100000729378 [0,2,0,1,0,0|0,0,0]=3 51240 B12R1.821 FCCCCCOCC1(CC1)F 7a_200000703853_100000729378 [0,2,0,1,0,0|0,0,0]=3 51241 B12R1.821 N#CCCCCOCC1(CC1)F 7a_200000703853_100000211819 [0,2,0,1,0,0|0,0,1]=4 51242 B12R1.821 O=CCCCCOCC1(CC1)F 7a_200000703853_100000139335 [0,2,0,1,0,0|0,0,1]=4 51243 B12R1.821 OC1(CC1)CNCCCCCF 2230a_100011936951_100000729378 [0,2,0,1,0,0|1,0,0]=4 51244 B12R1.821 OCCCCCNCC1(CC1)O 2230a_100011936951_100000746330 [0,2,0,1,0,0|1,0,0]=4 51245 B12R1.821 OCCCCCOCC1(CC1)F 34a_200000703853_100000746330 [0,2,0,1,0,0|0,0,0]=3 51246 B12R1.821 OCCCCCOCC1(CC1)F 7a_200000703853_100000746330 [0,2,0,1,0,0|0,0,0]=3 51247 B12R1.821 OCCOCCOCC1(CC1)F 34a_200000703853_100000692535 [0,2,0,1,0,0|1,0,0]=4 51248 B12R1.821 OCCOCCOCC1(CC1)F 7a_200000703853_100011215305 [0,2,0,1,0,0|1,0,0]=4 51249 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000210414_200000696569 [0,2,0,1,0,0|1,0,0]=4 51250 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210202 [0,2,0,1,0,0|1,0,0]=4 51251 B12R1.1748 CCC(C)CN1CCCCCC1 2230a_100000185865_100000748023 [0,2,0,1,0,0|1,0,0]=4 51252 B12R1.1748 CCC(C)CN1CCCCCC1 269982a_100000185865_100000748023 [0,2,0,1,0,0|1,0,0]=4 51253 B12R1.1748 CCC(C)CN1CCCCCC1 270004a_100000185865_100000243153 [0,2,0,1,0,0|1,0,0]=4 51254 B12R1.1748 CCC(C)CN1CCCCCC1 34a_100000185865_100000748023 [0,2,0,1,0,0|1,0,0]=4 51255 B12R1.1748 CCC(C)CN1CCCOCC1 2230a_100000685342_100000748023 [0,2,0,1,0,0|1,0,0]=4 51256 B12R1.1748 CCC(C)CN1CCCOCC1 269982a_100000685342_100000748023 [0,2,0,1,0,0|1,0,0]=4 51257 B12R1.1748 CCC(C)CN1CCCOCC1 270004a_100000685342_100000243153 [0,2,0,1,0,0|1,0,0]=4 51258 B12R1.1748 CCC(C)CN1CCCOCC1 34a_100000685342_100000748023 [0,2,0,1,0,0|1,0,0]=4 51259 B12R1.1748 CCC(C)NC1CCCCCC1 2230a_100000210984_100000758301 [0,2,0,1,0,0|1,0,0]=4 51260 B12R1.1748 CCC(C)NC1CCCCCC1 270004a_100000209981_100000210131 [0,2,0,1,0,0|1,0,0]=4 51261 B12R1.1748 CCC(C)NC1CCCCCC1 34a_100000210984_100011215416 [0,2,0,1,0,0|1,0,0]=4 51262 B12R1.1748 CCC(C)OC1CCCCCC1 34a_100000210887_100011215416 [0,2,0,1,0,0|1,0,0]=4 51263 B12R1.1748 CCC(C)OC1CCCCCC1 7a_100000210887_100000758301 [0,2,0,1,0,0|1,0,0]=4 51264 B12R1.1748 CCC(C)SC1CCCCCC1 62a_100000758301_100011217769 [0,2,0,1,0,0|1,0,0]=4 51265 B12R1.1748 CCC(C)SC1CCCCCC1 62a_100011217769_100000758301 [0,2,0,1,0,0|1,0,0]=4 51266 B12R1.1748 CCC(O)CN1CCCCCC1 2230a_100000185865_100011218378 [0,2,0,1,0,0|1,0,0]=4 51267 B12R1.1748 CCC(O)CN1CCCCCC1 269982a_100000185865_100011218378 [0,2,0,1,0,0|1,0,0]=4 51268 B12R1.1748 CCC(O)CN1CCCCCC1 34a_100000185865_100011218378 [0,2,0,1,0,0|1,0,0]=4 51269 B12R1.1748 CCC(O)CN1CCCOCC1 2230a_100000685342_100011218378 [0,2,0,1,0,0|1,0,0]=4 51270 B12R1.1748 CCC(O)CN1CCCOCC1 269982a_100000685342_100011218378 [0,2,0,1,0,0|1,0,0]=4 51271 B12R1.1748 CCC(O)CN1CCCOCC1 34a_100000685342_100011218378 [0,2,0,1,0,0|1,0,0]=4 51272 B12R1.1748 CCN(C)CC1CCCCCC1 2230a_100000225621_200000696569 [0,2,0,1,0,0|1,0,0]=4 51273 B12R1.1748 CCN(C)CC1CCCCCC1 269982a_100000225621_200000696569 [0,2,0,1,0,0|1,0,0]=4 51274 B12R1.1748 CC[C@H](C)CN1CCCCCC1 2230a_100000185865_100009816398 [0,2,0,1,0,0|1,0,0]=4 51275 B12R1.1748 CC[C@H](C)CN1CCCCCC1 269982a_100000185865_100009816398 [0,2,0,1,0,0|1,0,0]=4 51276 B12R1.1748 CC[C@H](C)CN1CCCCCC1 34a_100000185865_100009816398 [0,2,0,1,0,0|1,0,0]=4 51277 B12R1.1748 CC[C@H](C)CN1CCCOCC1 2230a_100000685342_100009816398 [0,2,0,1,0,0|1,0,0]=4 51278 B12R1.1748 CC[C@H](C)CN1CCCOCC1 269982a_100000685342_100009816398 [0,2,0,1,0,0|1,0,0]=4 51279 B12R1.1748 CC[C@H](C)CN1CCCOCC1 34a_100000685342_100009816398 [0,2,0,1,0,0|1,0,0]=4 51280 B12R1.43 CC(C)C(=O)CC1CCCCO1 1458a_100000210198_100000211543 [0,2,0,1,0,0|0,0,1]=4 51281 B12R1.43 CC(C)C(=O)CC1CCCCO1 1458a_100000238585_100000210206 [0,2,0,1,0,0|0,0,1]=4 51282 B12R1.43 CC(C)N(C)CC1CCCCO1 2230a_100000225654_100000210206 [0,2,0,1,0,0|1,0,0]=4 51283 B12R1.43 CC(C)N(C)CC1CCCCO1 269982a_100000225654_100000210206 [0,2,0,1,0,0|1,0,0]=4 51284 B12R1.43 CC(C)N(C)CC1CCCCO1 269982a_200000211004_100000211543 [0,2,0,1,0,0|1,0,0]=4 51285 B12R1.43 CC(C)N(C)CC1CCCCO1 34a_100000225654_100000210206 [0,2,0,1,0,0|1,0,0]=4 51286 B12R1.43 CC(F)C(=O)CC1CCCCO1 1458a_100000062450_100000211543 [0,2,0,1,0,0|0,0,1]=4 51287 B12R1.43 C[C@@H](O)C(=O)CC1CCCCO1 1458a_100000717761_100000211543 [0,2,0,1,0,0|0,0,1]=4 51288 B12R1.43 C[C@H](O)C(=O)CC1CCCCO1 1458a_217856618621_100000211543 [0,2,0,1,0,0|0,0,1]=4 51289 B12R1.214 CC(C)C(=O)COCC1CC1C 34a_100000744939_100000753385 [0,2,0,1,0,0|0,0,1]=4 51290 B12R1.214 CC(C)C(=O)COCC1CC1C 7a_100000744939_100000753385 [0,2,0,1,0,0|0,0,1]=4 51291 B12R1.264 CC(=O)C(C)COC1CCCC1 34a_100000032740_100000179811 [0,2,0,1,0,0|0,0,1]=4 51292 B12R1.264 CC(=O)C(C)COC1CCCC1 7a_100000032740_100000179811 [0,2,0,1,0,0|0,0,1]=4 51293 B12R1.264 CC(C)C(=O)COC1CCCC1 1458a_100000741352_100000210206 [0,2,0,1,0,0|0,0,1]=4 51294 B12R1.264 CC(C)C(=O)COC1CCCC1 34a_100000210269_100000753385 [0,2,0,1,0,0|0,0,1]=4 51295 B12R1.264 CC(C)C(=O)COC1CCCC1 7a_100000210269_100000753385 [0,2,0,1,0,0|0,0,1]=4 51296 B12R1.264 CC(C)C(O)CNC1CCCC1 2230a_100000759067_100000179811 [0,2,0,1,0,0|1,0,0]=4 51297 B12R1.264 CC(C)C(O)CNC1CCCC1 270004a_100000759067_100000210133 [0,2,0,1,0,0|1,0,0]=4 51298 B12R1.264 CC(C)C(O)CNC1CCCC1 34a_100000759067_100000179811 [0,2,0,1,0,0|1,0,0]=4 51299 B12R1.264 CC(C)[C@@H](N)COC1CCCC1 34a_100011830312_100000179811 [0,2,0,1,0,0|0,0,0]=3 51300 B12R1.264 CC(C)[C@@H](N)COC1CCOC1 34a_100011830312_100000690089 [0,2,0,1,0,0|1,0,0]=4 51301 B12R1.339 CCCCN1CCC(C1(C)C)C 2230a_102516457003_100000210211 [0,2,0,1,0,0|1,0,0]=4 51302 B12R1.339 CCCCN1CCC(C1(C)C)C 269982a_102516457003_100000210211 [0,2,0,1,0,0|1,0,0]=4 51303 B12R1.339 CCCCN1CCC(C1(C)C)C 34a_102516457003_100000210210 [0,2,0,1,0,0|1,0,0]=4 51304 B12R1.457 CCCCCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000210326 [0,2,0,1,0,0|1,0,0]=4 51305 B12R1.457 CCCCCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000210215 [0,2,0,1,0,0|1,0,0]=4 51306 B12R1.457 CCCCCN1C[C@H]([C@H](C1)F)F 269982a_100103146936_100000210215 [0,2,0,1,0,0|1,0,0]=4 51307 B12R1.457 CCCCCN1C[C@H]([C@H](C1)F)F 34a_100103146936_100000718602 [0,2,0,1,0,0|1,0,0]=4 51308 B12R1.457 CCCCCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210326 [0,2,0,1,0,0|1,0,0]=4 51309 B12R1.457 CCCCCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000210215 [0,2,0,1,0,0|1,0,0]=4 51310 B12R1.457 CCCCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000210326 [0,2,0,1,0,0|1,0,0]=4 51311 B12R1.457 CCCCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000210215 [0,2,0,1,0,0|1,0,0]=4 51312 B12R1.1335 CC(C)N1CCCCCCCC1 2230a_100000039187_100000210206 [0,2,0,1,0,0|1,0,0]=4 51313 B12R1.1335 CC(C)N1CCCCCCCC1 269982a_100000039187_100000210206 [0,2,0,1,0,0|1,0,0]=4 51314 B12R1.1335 CC(C)N1CCCCCCCC1 34a_100000039187_100000210206 [0,2,0,1,0,0|1,0,0]=4 51315 B12R1.1335 CN(C)C1CCCCCCCC1 270004a_100102631434_100000038600 [0,2,0,1,0,0|1,0,0]=4 51316 B12R1.1396 CC(=O)C(C)COCC1CCC1 34a_100000032740_100000763275 [0,2,0,1,0,0|0,0,1]=4 51317 B12R1.1396 CC(=O)C(C)COCC1CCC1 7a_100000032740_100000763275 [0,2,0,1,0,0|0,0,1]=4 51318 B12R1.1396 CC(C)C(=O)COCC1CCC1 34a_100000760304_100000753385 [0,2,0,1,0,0|0,0,1]=4 51319 B12R1.1396 CC(C)C(N)CCOC1CCC1 34a_100161115045_100000749161 [0,2,0,1,0,0|0,0,0]=3 51320 B12R1.1396 CC(C)C(N)CCOC1COC1 34a_100161115045_100009818527 [0,2,0,1,0,0|1,0,0]=4 51321 B12R1.1396 CC(C)C(O)CNCC1CCC1 2230a_100000759067_100000763275 [0,2,0,1,0,0|1,0,0]=4 51322 B12R1.1396 CC(C)C(O)CNCC1CCC1 269862a_100000759067_100000753134 [0,2,0,1,0,0|1,0,0]=4 51323 B12R1.1396 CC(C)C(O)CNCC1CCC1 34a_100000759067_100000763275 [0,2,0,1,0,0|1,0,0]=4 51324 B12R1.1396 CC(C)[C@@H](N)COCC1CCC1 34a_100011830312_100000763275 [0,2,0,1,0,0|0,0,0]=3 51325 B12R1.1396 CC(C)[C@@H](N)COCC1CCO1 34a_100011830312_100000103362 [0,2,0,1,0,0|1,0,0]=4 51326 B12R1.1396 CC(C)[C@@H](N)COCC1COC1 34a_100011830312_100010264016 [0,2,0,1,0,0|1,0,0]=4 51327 B12R1.1397 CC(=O)C(C)COCCC1CC1 34a_100000032740_100000694398 [0,2,0,1,0,0|0,0,1]=4 51328 B12R1.1397 CC(=O)C(C)COCCC1CC1 7a_100000032740_100000764125 [0,2,0,1,0,0|0,0,1]=4 51329 B12R1.1397 CC(C)C(=O)COCCC1CC1 34a_100000754188_100000753385 [0,2,0,1,0,0|0,0,1]=4 51330 B12R1.1397 CC(C)C(=O)COCCC1CC1 7a_100000754188_100000753385 [0,2,0,1,0,0|0,0,1]=4 51331 B12R1.1397 CC(C)C(N)CCOCC1CC1 34a_100161115045_100000742324 [0,2,0,1,0,0|0,0,0]=3 51332 B12R1.1397 CC(C)C(N)CCOCC1CO1 34a_100161115045_102125554688 [0,2,0,1,0,0|1,0,0]=4 51333 B12R1.1397 CC(C)C(O)CNCCC1CC1 2230a_100000759067_100000694398 [0,2,0,1,0,0|1,0,0]=4 51334 B12R1.1397 CC(C)C(O)CNCCC1CC1 34a_100000759067_100000694398 [0,2,0,1,0,0|1,0,0]=4 51335 B12R1.1397 CC(C)[C@@H](N)COCCC1CC1 34a_100011830312_100000694398 [0,2,0,1,0,0|0,0,0]=3 51336 B12R1.1397 CC(C)[C@@H](N)COCCC1CO1 34a_100011830312_100000732470 [0,2,0,1,0,0|1,0,0]=4 51337 B12R1.1995 C#CCCCOCC1CC1(C)C 34a_100000728257_100000695029 [0,2,0,1,0,0|0,0,1]=4 51338 B12R1.1995 C#CCCCOCC1CC1(C)C 7a_100000728257_100011215417 [0,2,0,1,0,0|0,0,1]=4 51339 B12R1.1995 C=CCCCOCC1CC1(C)C 34a_100000728257_100000757094 [0,2,0,1,0,0|0,0,1]=4 51340 B12R1.1995 C=CCCCOCC1CC1(C)C 7a_100000728257_100000757094 [0,2,0,1,0,0|0,0,1]=4 51341 B12R1.1995 CC/C=C\COCC1CC1(C)C 34a_100000728257_100103147603 [0,2,0,1,0,0|0,0,1]=4 51342 B12R1.1995 CC/C=C\COCC1CC1(C)C 7a_100000728257_100103147603 [0,2,0,1,0,0|0,0,1]=4 51343 B12R1.1995 CC1(CC1COCCCC#N)C 7a_100000728257_100000687738 [0,2,0,1,0,0|0,0,1]=4 51344 B12R1.1995 CC1(CC1COCCCC=O)C 7a_100000728257_200011292268 [0,2,0,1,0,0|0,0,1]=4 51345 B12R1.1995 CC1(CC1COCCCCF)C 34a_100000728257_100000729493 [0,2,0,1,0,0|0,0,0]=3 51346 B12R1.1995 CC1(CC1COCCCCF)C 7a_100000728257_100000729493 [0,2,0,1,0,0|0,0,0]=3 51347 B12R1.1995 CC1(CC1COCCCCO)C 34a_100000728257_100011216708 [0,2,0,1,0,0|0,0,0]=3 51348 B12R1.1995 CC1(CC1COCCCCO)C 7a_100000728257_100000210776 [0,2,0,1,0,0|0,0,0]=3 51349 B12R1.1995 CC1(OC1COCCCCF)C 34a_200010283642_100000729493 [0,2,0,1,0,0|1,0,0]=4 51350 B12R1.1995 CC1(OC1COCCCCF)C 7a_200010283642_100000729493 [0,2,0,1,0,0|1,0,0]=4 51351 B12R1.1995 CC1(OC1COCCCCO)C 34a_200010283642_100011216708 [0,2,0,1,0,0|1,0,0]=4 51352 B12R1.1995 CC1(OC1COCCCCO)C 7a_200010283642_100000210776 [0,2,0,1,0,0|1,0,0]=4 51353 B12R1.1995 CCC#CCOCC1CC1(C)C 34a_100000728257_100009813939 [0,2,0,1,0,0|0,0,1]=4 51354 B12R1.1995 CCC#CCOCC1CC1(C)C 7a_100000728257_100009813939 [0,2,0,1,0,0|0,0,1]=4 51355 B12R1.1995 CCCCCNCC1CC1(F)F 2230a_100000209983_100009817841 [0,2,0,1,0,0|1,0,0]=4 51356 B12R1.1995 CCCCCOCC1CC1(C)C 34a_100000728257_100000718602 [0,2,0,1,0,0|0,0,0]=3 51357 B12R1.1995 CCCCCOCC1CC1(C)C 7a_100000728257_100000210326 [0,2,0,1,0,0|0,0,0]=3 51358 B12R1.1995 CCCCCOCC1CC1(F)F 34a_100000056500_100000718602 [0,2,0,1,0,0|0,0,0]=3 51359 B12R1.1995 CCCCCOCC1CC1(F)F 34a_100000210253_100009817841 [0,2,0,1,0,0|0,0,0]=3 51360 B12R1.1995 CCCCCOCC1CC1(F)F 7a_100000056500_100000210326 [0,2,0,1,0,0|0,0,0]=3 51361 B12R1.1995 CCCCCOCC1CC1(F)F 7a_100000210253_100009817841 [0,2,0,1,0,0|0,0,0]=3 51362 B12R1.1995 CCCCCOCC1OC1(C)C 34a_200010283642_100000718602 [0,2,0,1,0,0|0,0,0]=3 51363 B12R1.1995 CCCCCOCC1OC1(C)C 7a_200010283642_100000210326 [0,2,0,1,0,0|0,0,0]=3 51364 B12R1.1995 CCCCCSCC1CC1(F)F 62a_100000210326_100009817841 [0,2,0,1,0,0|0,1,0]=4 51365 B12R1.1995 CCCCCSCC1CC1(F)F 62a_100009817841_100000210326 [0,2,0,1,0,0|0,1,0]=4 51366 B12R1.1995 CCCCOCCC1CC1(F)F 34a_100009864177_100000210210 [0,2,0,1,0,0|0,0,0]=3 51367 B12R1.1995 CCCCOCCC1CC1(F)F 7a_100009864177_100000210211 [0,2,0,1,0,0|0,0,0]=3 51368 B12R1.1995 CCCCOCNC1CC1(F)F 2230a_100020610826_100011995733 [0,2,0,1,0,0|1,0,0]=4 51369 B12R1.1995 CCCCOCNC1CC1(F)F 34a_100020610826_100011995733 [0,2,0,1,0,0|1,0,0]=4 51370 B12R1.1995 CCOCCOCC1CC1(C)C 34a_100000728257_100000210147 [0,2,0,1,0,0|0,0,0]=3 51371 B12R1.1995 CCOCCOCC1CC1(C)C 7a_100000728257_100011215890 [0,2,0,1,0,0|0,0,0]=3 51372 B12R1.1995 CCOCCOCC1CC1(F)F 34a_100000056500_100000210147 [0,2,0,1,0,0|1,0,0]=4 51373 B12R1.1995 CCOCCOCC1CC1(F)F 34a_100000210136_100009817841 [0,2,0,1,0,0|1,0,0]=4 51374 B12R1.1995 CCOCCOCC1CC1(F)F 7a_100000056500_100011215890 [0,2,0,1,0,0|1,0,0]=4 51375 B12R1.1995 CCOCCOCC1CC1(F)F 7a_100000210136_100009817841 [0,2,0,1,0,0|1,0,0]=4 51376 B12R1.1995 CCOCCOCC1OC1(C)C 34a_200010283642_100000210147 [0,2,0,1,0,0|1,0,0]=4 51377 B12R1.1995 CCOCCOCC1OC1(C)C 7a_200010283642_100011215890 [0,2,0,1,0,0|1,0,0]=4 51378 B12R1.1995 CCSCCOCC1CC1(C)C 34a_100000728257_100000757381 [0,2,0,1,0,0|0,0,0]=3 51379 B12R1.1995 CCSCCOCC1CC1(C)C 7a_100000728257_100000757381 [0,2,0,1,0,0|0,0,0]=3 51380 B12R1.1995 CCSCCOCC1CC1(F)F 34a_100000056500_100000757381 [0,2,0,1,0,0|1,0,0]=4 51381 B12R1.1995 CCSCCOCC1CC1(F)F 34a_100000212035_100009817841 [0,2,0,1,0,0|1,0,0]=4 51382 B12R1.1995 CCSCCOCC1CC1(F)F 7a_100000056500_100000757381 [0,2,0,1,0,0|1,0,0]=4 51383 B12R1.1995 CCSCCOCC1CC1(F)F 7a_100000212035_100009817841 [0,2,0,1,0,0|1,0,0]=4 51384 B12R1.1995 CCSCCOCC1OC1(C)C 34a_200010283642_100000757381 [0,2,0,1,0,0|1,0,0]=4 51385 B12R1.1995 CCSCCOCC1OC1(C)C 7a_200010283642_100000757381 [0,2,0,1,0,0|1,0,0]=4 51386 B12R1.1995 CNCCCOCC1CC1(F)F 34a_100000213112_100009817841 [0,2,0,1,0,0|1,0,0]=4 51387 B12R1.1995 COCCCOCC1CC1(C)C 34a_100000728257_100000740836 [0,2,0,1,0,0|0,0,0]=3 51388 B12R1.1995 COCCCOCC1CC1(C)C 7a_100000728257_100000740836 [0,2,0,1,0,0|0,0,0]=3 51389 B12R1.1995 COCCCOCC1CC1(F)F 34a_100000056500_100000740836 [0,2,0,1,0,0|1,0,0]=4 51390 B12R1.1995 COCCCOCC1CC1(F)F 34a_100000740835_100009817841 [0,2,0,1,0,0|1,0,0]=4 51391 B12R1.1995 COCCCOCC1CC1(F)F 7a_100000056500_100000740836 [0,2,0,1,0,0|1,0,0]=4 51392 B12R1.1995 COCCCOCC1OC1(C)C 34a_200010283642_100000740836 [0,2,0,1,0,0|1,0,0]=4 51393 B12R1.1995 COCCCOCC1OC1(C)C 7a_200010283642_100000740836 [0,2,0,1,0,0|1,0,0]=4 51394 B12R1.1995 COCCOCCC1CC1(F)F 34a_100009864177_100011201679 [0,2,0,1,0,0|1,0,0]=4 51395 B12R1.1995 COCCOCCC1CC1(F)F 7a_100009864177_100000233755 [0,2,0,1,0,0|1,0,0]=4 51396 B12R1.1995 CSCCCOCC1CC1(F)F 34a_100000690336_100009817841 [0,2,0,1,0,0|1,0,0]=4 51397 B12R1.1995 CSCCCOCC1CC1(F)F 7a_100000690336_100009817841 [0,2,0,1,0,0|1,0,0]=4 51398 B12R1.1995 CSCCOCCC1CC1(F)F 34a_100009864177_100000212216 [0,2,0,1,0,0|1,0,0]=4 51399 B12R1.1995 CSCCOCCC1CC1(F)F 7a_100009864177_100000212216 [0,2,0,1,0,0|1,0,0]=4 51400 B12R1.1995 FC1(CC1COCCCCBr)F 34a_100011216708_100009817841 [0,2,0,1,0,0|1,0,0]=4 51401 B12R1.1995 FC1(CC1COCCCCCl)F 34a_100000210776_100009817841 [0,2,0,1,0,0|1,0,0]=4 51402 B12R1.1995 FC1(CC1COCCCCCl)F 7a_100000210776_100009817841 [0,2,0,1,0,0|1,0,0]=4 51403 B12R1.1995 FC1(CC1COCCCCI)F 34a_200012148704_100009817841 [0,2,0,1,0,0|1,0,0]=4 51404 B12R1.1995 FCCCCOCC1CC1(F)F 34a_100000056500_100000729493 [0,2,0,1,0,0|1,0,0]=4 51405 B12R1.1995 FCCCCOCC1CC1(F)F 34a_100011995726_100009817841 [0,2,0,1,0,0|1,0,0]=4 51406 B12R1.1995 FCCCCOCC1CC1(F)F 7a_100000056500_100000729493 [0,2,0,1,0,0|1,0,0]=4 51407 B12R1.1995 FCCCCOCC1CC1(F)F 7a_100011995726_100009817841 [0,2,0,1,0,0|1,0,0]=4 51408 B12R1.1995 FCCCOCCC1CC1(F)F 34a_100009864177_100011934791 [0,2,0,1,0,0|1,0,0]=4 51409 B12R1.1995 FCCCOCCC1CC1(F)F 7a_100009864177_100011934791 [0,2,0,1,0,0|1,0,0]=4 51410 B12R1.1995 NCCCCOCC1CC1(F)F 34a_100000750430_100009817841 [0,2,0,1,0,0|1,0,0]=4 51411 B12R1.1995 OCCCCOCC1CC1(F)F 34a_100000056500_100011216708 [0,2,0,1,0,0|1,0,0]=4 51412 B12R1.1995 OCCCCOCC1CC1(F)F 7a_100000056500_100000210776 [0,2,0,1,0,0|1,0,0]=4 51413 B12R1.1995 OCCCOCCC1CC1(F)F 34a_100009864177_100000230001 [0,2,0,1,0,0|1,0,0]=4 51414 B12R1.1995 OCCCOCCC1CC1(F)F 7a_100009864177_100011215043 [0,2,0,1,0,0|1,0,0]=4 51415 B12R1.54 CC(C)CCC(=O)C1CCCC1 1458a_100000181311_100000179811 [0,2,0,1,0,0|1,0,0]=4 51416 B12R1.54 CC(C)CCC(=O)C1CCCC1 1458a_100000210718_100000210312 [0,2,0,1,0,0|1,0,0]=4 51417 B12R1.54 CC(C)CCC(C)N1CCCC1 2230a_100000188435_100011261404 [0,2,0,1,0,0|1,0,0]=4 51418 B12R1.54 CC(C)CCC(C)N1CCCC1 269982a_100000188435_100011261404 [0,2,0,1,0,0|1,0,0]=4 51419 B12R1.54 CC(C)CCC(C)N1CCCC1 270004a_100000188435_100000210476 [0,2,0,1,0,0|1,0,0]=4 51420 B12R1.54 CC(C)CCN(C)C1CCCC1 2230a_100000207505_100000210312 [0,2,0,1,0,0|1,0,0]=4 51421 B12R1.54 CC(C)CCN(C)C1CCCC1 2230a_100000742789_100000179811 [0,2,0,1,0,0|1,0,0]=4 51422 B12R1.54 CC(C)CCN(C)C1CCCC1 269982a_100000207505_100000210312 [0,2,0,1,0,0|1,0,0]=4 51423 B12R1.54 CC(C)CCN(C)C1CCCC1 269982a_100000742789_100000179811 [0,2,0,1,0,0|1,0,0]=4 51424 B12R1.54 CC(C)CCN(C)C1CCCC1 270004a_100000742789_100000210133 [0,2,0,1,0,0|1,0,0]=4 51425 B12R1.54 CC(C)CCN(C)C1CCCC1 34a_100000207505_100000210312 [0,2,0,1,0,0|1,0,0]=4 51426 B12R1.54 CC(O)CCC(=O)C1CCCC1 1458a_100000210718_100012276601 [0,2,0,1,0,0|1,0,0]=4 51427 B12R1.54 CC(O)CCN(C)C1CCCC1 2230a_100000207505_100012276601 [0,2,0,1,0,0|1,0,0]=4 51428 B12R1.54 CC(O)CCN(C)C1CCCC1 269982a_100000207505_100012276601 [0,2,0,1,0,0|1,0,0]=4 51429 B12R1.54 CC(O)CCN(C)C1CCCC1 34a_100000207505_100012276601 [0,2,0,1,0,0|1,0,0]=4 51430 B12R1.210 CC(C)CC1CCCCCN1C 2230a_100000759364_200000210301 [0,2,0,1,0,0|1,0,0]=4 51431 B12R1.210 CC(C)CC1CCCCCN1C 269982a_100000759364_200000210301 [0,2,0,1,0,0|1,0,0]=4 51432 B12R1.210 CC(C)CC1CCCCCN1C 34a_100000759364_200000210301 [0,2,0,1,0,0|1,0,0]=4 51433 B12R1.210 CC(C)CC1CCCCCN1[13CH3] 2230a_100000759364_200025704644 [0,2,0,1,0,0|1,0,0]=4 51434 B12R1.210 CC(C)CC1CCCCCN1[13CH3] 269982a_100000759364_200025704644 [0,2,0,1,0,0|1,0,0]=4 51435 B12R1.210 CC(C)CC1CCCCCN1[13CH3] 34a_100000759364_200025704644 [0,2,0,1,0,0|1,0,0]=4 51436 B12R1.230 CC(C)CCC(C)N1CCC1C 269982a_100000755817_100011261404 [0,2,0,1,0,0|1,0,0]=4 51437 B12R1.230 CC(C)CCC(C)N1CCC1C 34a_100000755817_100011261404 [0,2,0,1,0,0|1,0,0]=4 51438 B12R1.397 CCC1CC1C(=O)CCC(C)C 1458a_200011661523_100000210312 [0,2,0,1,0,0|1,0,0]=4 51439 B12R1.397 CCC1CC1C(=O)CCC(C)O 1458a_200011661523_100012276601 [0,2,0,1,0,0|1,0,0]=4 51440 B12R1.484 CCC#CCC(C)OCC1CC1 34a_200000035118_100000742324 [0,2,0,1,0,0|0,0,1]=4 51441 B12R1.484 CCC#CCC(C)OCC1CC1 7a_200000035118_100000742324 [0,2,0,1,0,0|0,0,1]=4 51442 B12R1.484 CCCCCC(=O)CCC1CC1 1458a_100000212188_100000694398 [0,2,0,1,0,0|1,0,0]=4 51443 B12R1.484 CCCCCC(=O)CCC1CC1 1458a_100000756386_100000210326 [0,2,0,1,0,0|1,0,0]=4 51444 B12R1.484 CCCCCC(=O)CCC1CO1 1458a_100000212188_100000732470 [0,2,0,1,0,0|1,0,0]=4 51445 B12R1.484 CCCCCC(=O)CNC1CC1 34a_100000212008_200012276598 [0,2,0,1,0,0|1,0,0]=4 51446 B12R1.484 CCCCCC(=O)CSC1CC1 62a_200012276598_100000211595 [0,2,0,1,0,0|1,0,0]=4 51447 B12R1.484 CCCCCC(=O)NCC1CC1 11a_100000735609_100000212188 [0,2,0,1,0,0|1,0,0]=4 51448 B12R1.484 CCCCCC(=O)NCC1CC1 1626a_100000735609_100000212188 [0,2,0,1,0,0|1,0,0]=4 51449 B12R1.484 CCCCCC(=O)NCC1CC1 240690a_100000735609_100000212188 [0,2,0,1,0,0|1,0,0]=4 51450 B12R1.484 CCCCCC(=O)NCC1CC1 527a_100000735609_100000212188 [0,2,0,1,0,0|1,0,0]=4 51451 B12R1.484 CCCCCC(C)NCC1CC1 2230a_100000211957_100000742324 [0,2,0,1,0,0|1,0,0]=4 51452 B12R1.484 CCCCCC(C)NCC1CC1 2230a_100000735609_200011218191 [0,2,0,1,0,0|1,0,0]=4 51453 B12R1.484 CCCCCC(C)NCC1CC1 269862a_100000211957_100000741477 [0,2,0,1,0,0|1,0,0]=4 51454 B12R1.484 CCCCCC(C)NCC1CC1 270004a_100000735609_100000211708 [0,2,0,1,0,0|1,0,0]=4 51455 B12R1.484 CCCCCC(C)NCC1CC1 34a_100000735609_200011218191 [0,2,0,1,0,0|1,0,0]=4 51456 B12R1.484 CCCCCC(C)OCC1CC1 34a_100000211283_200011218191 [0,2,0,1,0,0|0,0,0]=3 51457 B12R1.484 CCCCCC(C)OCC1CC1 34a_100011215632_100000742324 [0,2,0,1,0,0|0,0,0]=3 51458 B12R1.484 CCCCCC(C)OCC1CC1 7a_100011215632_100000742324 [0,2,0,1,0,0|0,0,0]=3 51459 B12R1.484 CCCCCC(C)OCC1CO1 34a_100011215632_102125554688 [0,2,0,1,0,0|1,0,0]=4 51460 B12R1.484 CCCCCC(C)OCC1CO1 7a_100011215632_102125554688 [0,2,0,1,0,0|1,0,0]=4 51461 B12R1.484 CCCCCC(C)OCC1CS1 7a_100011215632_100000031435 [0,2,0,1,0,0|1,0,0]=4 51462 B12R1.484 CCCCCC(C)OC[C@@H]1CO1 34a_100000757423_200011218191 [0,2,0,1,0,0|1,0,0]=4 51463 B12R1.484 CCCCCC(C)OC[C@@H]1CO1 7a_100011215632_100000745022 [0,2,0,1,0,0|1,0,0]=4 51464 B12R1.484 CCCCCC(C)SCC1CC1 62a_100000756562_200011218191 [0,2,0,1,0,0|0,1,0]=4 51465 B12R1.484 CCCCCC(C)SCC1CC1 62a_200011218191_100000742324 [0,2,0,1,0,0|0,1,0]=4 51466 B12R1.484 CCCCCN(C)CCC1CC1 2230a_100000223495_100000694398 [0,2,0,1,0,0|1,0,0]=4 51467 B12R1.484 CCCCCN(C)CCC1CC1 269982a_100000223495_100000694398 [0,2,0,1,0,0|1,0,0]=4 51468 B12R1.484 CCCCCN(C)CCC1CO1 2230a_100000223495_100000732470 [0,2,0,1,0,0|1,0,0]=4 51469 B12R1.484 CCCCCN(C)CCC1CO1 269982a_100000223495_100000732470 [0,2,0,1,0,0|1,0,0]=4 51470 B12R1.484 CCCCNC(=O)CCC1CC1 11a_100000102301_100000756386 [0,2,0,1,0,0|1,0,0]=4 51471 B12R1.484 CCCCNC(=O)CCC1CC1 1626a_100000102301_100000756386 [0,2,0,1,0,0|1,0,0]=4 51472 B12R1.484 CCCCNC(=O)CCC1CC1 240690a_100000102301_100000756386 [0,2,0,1,0,0|1,0,0]=4 51473 B12R1.484 CCCCNC(=O)CCC1CC1 527a_100000102301_100000756386 [0,2,0,1,0,0|1,0,0]=4 51474 B12R1.484 CCCCOC(=O)CNC1CC1 34a_100000212008_100000211628 [0,2,0,1,0,0|0,0,1]=4 51475 B12R1.484 CCCCOC(=O)CSC1CC1 62a_100000211628_100000211595 [0,2,0,1,0,0|0,0,1]=4 51476 B12R1.484 CCCOCC(=O)CCC1CC1 1458a_100000745993_100000694398 [0,2,0,1,0,0|1,0,0]=4 51477 B12R1.484 CCCSCC(=O)CCC1CC1 1458a_100000217233_100000694398 [0,2,0,1,0,0|1,0,0]=4 51478 B12R1.484 CCCSCC(C)NCC1CC1 270004a_100000735609_100011343953 [0,2,0,1,0,0|1,0,0]=4 51479 B12R1.484 CCOCCC(=O)CCC1CC1 1458a_100000749530_100000694398 [0,2,0,1,0,0|1,0,0]=4 51480 B12R1.484 CCOCCC(=O)CCC1CC1 1458a_100000756386_100011215890 [0,2,0,1,0,0|1,0,0]=4 51481 B12R1.484 CCOCCC(C)NCC1CC1 270004a_100000735609_200011216536 [0,2,0,1,0,0|1,0,0]=4 51482 B12R1.484 CCSCCC(=O)CCC1CC1 1458a_100000230768_100000694398 [0,2,0,1,0,0|1,0,0]=4 51483 B12R1.484 CCSCCC(=O)CCC1CC1 1458a_100000756386_100000757381 [0,2,0,1,0,0|1,0,0]=4 51484 B12R1.484 CN(CCCCO)CCC1CC1 2230a_100000717598_100000694398 [0,2,0,1,0,0|1,0,0]=4 51485 B12R1.484 CN(CCCCO)CCC1CC1 269982a_100000717598_100000694398 [0,2,0,1,0,0|1,0,0]=4 51486 B12R1.484 COCCCC(=O)CCC1CC1 1458a_100000741012_100000694398 [0,2,0,1,0,0|1,0,0]=4 51487 B12R1.484 COCCCC(=O)CCC1CC1 1458a_100000756386_100000740836 [0,2,0,1,0,0|1,0,0]=4 51488 B12R1.484 COCCCC(C)OCC1CC1 34a_200011539412_100000742324 [0,2,0,1,0,0|0,0,0]=3 51489 B12R1.484 COCCCC(C)OCC1CC1 7a_200011539412_100000742324 [0,2,0,1,0,0|0,0,0]=3 51490 B12R1.484 COCCCC(C)OCC1CO1 34a_200011539412_102125554688 [0,2,0,1,0,0|1,0,0]=4 51491 B12R1.484 COCCCC(C)OCC1CO1 7a_200011539412_102125554688 [0,2,0,1,0,0|1,0,0]=4 51492 B12R1.484 COCCCC(C)OCC1CS1 7a_200011539412_100000031435 [0,2,0,1,0,0|1,0,0]=4 51493 B12R1.484 COCCCC(C)OC[C@@H]1CO1 7a_200011539412_100000745022 [0,2,0,1,0,0|1,0,0]=4 51494 B12R1.484 COCCCN(C)CCC1CC1 2230a_100000224831_100000694398 [0,2,0,1,0,0|1,0,0]=4 51495 B12R1.484 COCCCN(C)CCC1CC1 269982a_100000224831_100000694398 [0,2,0,1,0,0|1,0,0]=4 51496 B12R1.484 CSCCCC(=O)CCC1CC1 1458a_100000173376_100000694398 [0,2,0,1,0,0|1,0,0]=4 51497 B12R1.484 CSCCCC(C)NCC1CC1 270004a_100000735609_100011399439 [0,2,0,1,0,0|1,0,0]=4 51498 B12R1.484 O=C(CCCCF)CCC1CC1 1458a_100000756386_100000729493 [0,2,0,1,0,0|1,0,0]=4 51499 B12R1.484 O=C(CCCCO)CCC1CC1 1458a_100000695505_100000694398 [0,2,0,1,0,0|1,0,0]=4 51500 B12R1.484 O=C(CCCCO)CCC1CC1 1458a_100000756386_100000210776 [0,2,0,1,0,0|1,0,0]=4 51501 B12R1.528 CCCCCN1CCC(C1)(C)C 2230a_100000764714_100000210326 [0,2,0,1,0,0|1,0,0]=4 51502 B12R1.528 CCCCCN1CCC(C1)(C)C 269982a_100000764714_100000210215 [0,2,0,1,0,0|1,0,0]=4 51503 B12R1.528 CCCCCN1CCC(C1)(C)O 2230a_100000718628_100000210326 [0,2,0,1,0,0|1,0,0]=4 51504 B12R1.528 CCCCCN1CCC(C1)(C)O 269982a_100000718628_100000210215 [0,2,0,1,0,0|1,0,0]=4 51505 B12R1.528 CCCCCN1CCC(C1)(F)F 2230a_100000697292_100000210326 [0,2,0,1,0,0|1,0,0]=4 51506 B12R1.528 CCCCCN1CCC(C1)(F)F 269982a_100000697292_100000210215 [0,2,0,1,0,0|1,0,0]=4 51507 B12R1.528 CCCCCN1CCC(C1)(F)F 34a_100000697292_100000718602 [0,2,0,1,0,0|1,0,0]=4 51508 B12R1.528 CCCCNC1CCC(C1)(C)C 270004a_100000102301_100000759959 [0,2,0,1,0,0|1,0,0]=4 51509 B12R1.528 CCCCNC1CCC(C1)(F)F 2230a_100000689000_100000210211 [0,2,0,1,0,0|1,0,0]=4 51510 B12R1.528 CCCCNC1CCC(C1)(F)F 34a_100000689000_100000210210 [0,2,0,1,0,0|1,0,0]=4 51511 B12R1.528 CCCCOC1CCS(=O)(=O)C1 34a_100000186101_100000210210 [0,2,0,1,0,0|1,0,0]=4 51512 B12R1.528 CCCCOC1CCS(=O)(=O)C1 7a_100000186101_100000210211 [0,2,0,1,0,0|1,0,0]=4 51513 B12R1.551 CC(C)CCC(=O)CC1CCC1 1458a_100000181311_100000763275 [0,2,0,1,0,0|1,0,0]=4 51514 B12R1.551 CC(C)CCC(=O)CC1CCC1 1458a_100000763092_100000210312 [0,2,0,1,0,0|1,0,0]=4 51515 B12R1.551 CC(C)CCC(C)NC1CCC1 2230a_100000749019_100011261404 [0,2,0,1,0,0|1,0,0]=4 51516 B12R1.551 CC(C)CCC(C)NC1CCC1 270004a_100138410893_100000241760 [0,2,0,1,0,0|1,0,0]=4 51517 B12R1.551 CC(C)CCC(C)NC1CCC1 34a_100000749019_100011261404 [0,2,0,1,0,0|1,0,0]=4 51518 B12R1.551 CC(C)CCC(C)OC1CCC1 34a_100000748187_100011261404 [0,2,0,1,0,0|0,0,0]=3 51519 B12R1.551 CC(C)CCC(C)OC1CCC1 34a_100011215350_100000749161 [0,2,0,1,0,0|0,0,0]=3 51520 B12R1.551 CC(C)CCC(C)OC1COC1 34a_100011215350_100009818527 [0,2,0,1,0,0|1,0,0]=4 51521 B12R1.551 CC(C)CCC(C)OC1COC1 7a_100011215350_100009818527 [0,2,0,1,0,0|1,0,0]=4 51522 B12R1.551 CC(C)CCC(C)SC1CCC1 62a_100011261404_100000749161 [0,2,0,1,0,0|0,1,0]=4 51523 B12R1.551 CC(C)CCN(C)CC1CCC1 2230a_100000742789_100000763275 [0,2,0,1,0,0|1,0,0]=4 51524 B12R1.551 CC(C)CCN(C)CC1CCC1 2230a_200000750244_100000210312 [0,2,0,1,0,0|1,0,0]=4 51525 B12R1.551 CC(C)CCN(C)CC1CCC1 269982a_100000742789_100000763275 [0,2,0,1,0,0|1,0,0]=4 51526 B12R1.551 CC(C)CCN(C)CC1CCC1 269982a_200000750244_100000210312 [0,2,0,1,0,0|1,0,0]=4 51527 B12R1.551 CC(C)CCN(C)CC1CCC1 34a_200000750244_100000210312 [0,2,0,1,0,0|1,0,0]=4 51528 B12R1.551 CC(O)CCC(=O)CC1CCC1 1458a_100000763092_100012276601 [0,2,0,1,0,0|1,0,0]=4 51529 B12R1.551 CC(O)CCN(C)CC1CCC1 2230a_200000750244_100012276601 [0,2,0,1,0,0|1,0,0]=4 51530 B12R1.551 CC(O)CCN(C)CC1CCC1 269982a_200000750244_100012276601 [0,2,0,1,0,0|1,0,0]=4 51531 B12R1.551 CC(O)CCN(C)CC1CCC1 34a_200000750244_100012276601 [0,2,0,1,0,0|1,0,0]=4 51532 B12R1.552 CC(C)CCC(=O)CCC1CC1 1458a_100000181311_100000694398 [0,2,0,1,0,0|1,0,0]=4 51533 B12R1.552 CC(C)CCC(=O)CCC1CC1 1458a_100000756386_100000210312 [0,2,0,1,0,0|1,0,0]=4 51534 B12R1.552 CC(C)CCC(C)NCC1CC1 2230a_100000735609_100011261404 [0,2,0,1,0,0|1,0,0]=4 51535 B12R1.552 CC(C)CCC(C)NCC1CC1 2230a_100138410893_100000742324 [0,2,0,1,0,0|1,0,0]=4 51536 B12R1.552 CC(C)CCC(C)NCC1CC1 269862a_100138410893_100000741477 [0,2,0,1,0,0|1,0,0]=4 51537 B12R1.552 CC(C)CCC(C)NCC1CC1 270004a_100000735609_100000210476 [0,2,0,1,0,0|1,0,0]=4 51538 B12R1.552 CC(C)CCC(C)NCC1CC1 34a_100000735609_100011261404 [0,2,0,1,0,0|1,0,0]=4 51539 B12R1.552 CC(C)CCC(C)OCC1CC1 34a_100000211283_100011261404 [0,2,0,1,0,0|0,0,0]=3 51540 B12R1.552 CC(C)CCC(C)OCC1CC1 34a_100011215350_100000742324 [0,2,0,1,0,0|0,0,0]=3 51541 B12R1.552 CC(C)CCC(C)OCC1CC1 7a_100011215350_100000742324 [0,2,0,1,0,0|0,0,0]=3 51542 B12R1.552 CC(C)CCC(C)OCC1CO1 34a_100011215350_102125554688 [0,2,0,1,0,0|1,0,0]=4 51543 B12R1.552 CC(C)CCC(C)OCC1CO1 7a_100011215350_102125554688 [0,2,0,1,0,0|1,0,0]=4 51544 B12R1.552 CC(C)CCC(C)OCC1CS1 7a_100011215350_100000031435 [0,2,0,1,0,0|1,0,0]=4 51545 B12R1.552 CC(C)CCC(C)OC[C@@H]1CO1 34a_100000757423_100011261404 [0,2,0,1,0,0|1,0,0]=4 51546 B12R1.552 CC(C)CCC(C)OC[C@@H]1CO1 7a_100011215350_100000745022 [0,2,0,1,0,0|1,0,0]=4 51547 B12R1.552 CC(C)CCC(C)SCC1CC1 62a_100000756562_100011261404 [0,2,0,1,0,0|0,1,0]=4 51548 B12R1.552 CC(C)CCC(C)SCC1CC1 62a_100011261404_100000742324 [0,2,0,1,0,0|0,1,0]=4 51549 B12R1.552 CC(C)CCN(C)CCC1CC1 2230a_100000742789_100000694398 [0,2,0,1,0,0|1,0,0]=4 51550 B12R1.552 CC(C)CCN(C)CCC1CC1 269982a_100000742789_100000694398 [0,2,0,1,0,0|1,0,0]=4 51551 B12R1.552 CC(O)CCC(=O)CCC1CC1 1458a_100000756386_100012276601 [0,2,0,1,0,0|1,0,0]=4 51552 B12R1.804 CCCCN1C(CCC1(C)C)C 2230a_100015204717_100000210211 [0,2,0,1,0,0|1,0,0]=4 51553 B12R1.804 CCCCN1C(CCC1(C)C)C 269982a_100015204717_100000210211 [0,2,0,1,0,0|1,0,0]=4 51554 B12R1.804 CCCCN1C(CCC1(C)C)C 34a_100015204717_100000210210 [0,2,0,1,0,0|1,0,0]=4 51555 B12R1.1343 CC(Br)COC1CCCCCC1 34a_100012180447_100011217769 [0,2,0,1,0,0|1,0,0]=4 51556 B12R1.1343 CC(C)CCN1CCCCCC1 2230a_100000185865_100000210312 [0,2,0,1,0,0|1,0,0]=4 51557 B12R1.1343 CC(C)CCN1CCCCCC1 269982a_100000185865_100000210312 [0,2,0,1,0,0|1,0,0]=4 51558 B12R1.1343 CC(C)CCN1CCCCCC1 34a_100000185865_100000210312 [0,2,0,1,0,0|1,0,0]=4 51559 B12R1.1343 CC(C)CCN1CCCOCC1 2230a_100000685342_100000210312 [0,2,0,1,0,0|1,0,0]=4 51560 B12R1.1343 CC(C)CCN1CCCOCC1 269982a_100000685342_100000210312 [0,2,0,1,0,0|1,0,0]=4 51561 B12R1.1343 CC(C)CCN1CCCOCC1 34a_100000685342_100000210312 [0,2,0,1,0,0|1,0,0]=4 51562 B12R1.1343 CC(C)CNC1CCCCCC1 2230a_100000210984_100000210760 [0,2,0,1,0,0|1,0,0]=4 51563 B12R1.1343 CC(C)CNC1CCCCCC1 270004a_100000210953_100000210131 [0,2,0,1,0,0|1,0,0]=4 51564 B12R1.1343 CC(C)CNC1CCCCCC1 270004a_100000210984_100000210432 [0,2,0,1,0,0|1,0,0]=4 51565 B12R1.1343 CC(C)CNC1CCCCCC1 34a_100000210953_100011217769 [0,2,0,1,0,0|1,0,0]=4 51566 B12R1.1343 CC(C)CNC1CCCCCC1 34a_100000210984_100000210624 [0,2,0,1,0,0|1,0,0]=4 51567 B12R1.1343 CC(C)COC1CCCCCC1 34a_100000210257_100011217769 [0,2,0,1,0,0|1,0,0]=4 51568 B12R1.1343 CC(C)COC1CCCCCC1 34a_100000210887_100000210624 [0,2,0,1,0,0|1,0,0]=4 51569 B12R1.1343 CC(C)COC1CCCCCC1 7a_100000210887_100000210760 [0,2,0,1,0,0|1,0,0]=4 51570 B12R1.1343 CC(C)CSC1CCCCCC1 62a_100000210624_100011217769 [0,2,0,1,0,0|1,0,0]=4 51571 B12R1.1343 CC(C)CSC1CCCCCC1 62a_100011217769_100000210760 [0,2,0,1,0,0|1,0,0]=4 51572 B12R1.1343 CC(C)NCC1CCCCCC1 2230a_100015204231_100000210206 [0,2,0,1,0,0|1,0,0]=4 51573 B12R1.1343 CC(C)NCC1CCCCCC1 2230a_100138425928_200000696569 [0,2,0,1,0,0|1,0,0]=4 51574 B12R1.1343 CC(C)NCC1CCCCCC1 34a_100015204231_100000210206 [0,2,0,1,0,0|1,0,0]=4 51575 B12R1.1343 CC(C)NCC1CCCCCC1 34a_100138425928_200000696569 [0,2,0,1,0,0|1,0,0]=4 51576 B12R1.1343 CC(C)OCC1CCCCCC1 34a_100000212225_200000696569 [0,2,0,1,0,0|1,0,0]=4 51577 B12R1.1343 CC(C)OCC1CCCCCC1 34a_100000699130_100000210206 [0,2,0,1,0,0|1,0,0]=4 51578 B12R1.1343 CC(C)OCC1CCCCCC1 7a_100000699130_100000210206 [0,2,0,1,0,0|1,0,0]=4 51579 B12R1.1343 CC(C)OCC1CNCCOC1 34a_100103147999_100000210206 [0,2,0,1,0,0|1,0,0]=4 51580 B12R1.1343 CC(C)SCC1CCCCCC1 62a_100000210206_200000696569 [0,2,0,1,0,0|1,0,0]=4 51581 B12R1.1343 CC(C)SCC1CCCCCC1 62a_200000696569_100000210206 [0,2,0,1,0,0|1,0,0]=4 51582 B12R1.1343 CC(F)COC1CCCCCC1 34a_100015925927_100011217769 [0,2,0,1,0,0|1,0,0]=4 51583 B12R1.1343 CC(O)CCN1CCCCCC1 2230a_100000185865_100012276601 [0,2,0,1,0,0|1,0,0]=4 51584 B12R1.1343 CC(O)CCN1CCCCCC1 269982a_100000185865_100012276601 [0,2,0,1,0,0|1,0,0]=4 51585 B12R1.1343 CC(O)CCN1CCCCCC1 34a_100000185865_100012276601 [0,2,0,1,0,0|1,0,0]=4 51586 B12R1.1343 CC(O)CCN1CCCOCC1 2230a_100000685342_100012276601 [0,2,0,1,0,0|1,0,0]=4 51587 B12R1.1343 CC(O)CCN1CCCOCC1 269982a_100000685342_100012276601 [0,2,0,1,0,0|1,0,0]=4 51588 B12R1.1343 CC(O)CCN1CCCOCC1 34a_100000685342_100012276601 [0,2,0,1,0,0|1,0,0]=4 51589 B12R1.1343 CC(O)CNC1CCCCCC1 2230a_100000210984_100011218427 [0,2,0,1,0,0|1,0,0]=4 51590 B12R1.1343 CC(O)CNC1CCCCCC1 270004a_100000210904_100000210131 [0,2,0,1,0,0|1,0,0]=4 51591 B12R1.1343 CC(O)CNC1CCCCCC1 34a_100000210904_100011217769 [0,2,0,1,0,0|1,0,0]=4 51592 B12R1.1343 CC(O)CNC1CCCCCC1 34a_100000210984_100011218427 [0,2,0,1,0,0|1,0,0]=4 51593 B12R1.1343 CC(O)COC1CCCCCC1 34a_100000210887_100011218427 [0,2,0,1,0,0|1,0,0]=4 51594 B12R1.1343 CC(O)COC1CCCCCC1 7a_100000210887_100011218427 [0,2,0,1,0,0|1,0,0]=4 51595 B12R1.1343 CC(O)CSC1CCCCCC1 62a_100011217769_100011218427 [0,2,0,1,0,0|1,0,0]=4 51596 B12R1.1343 CC(O)CSC1CCCCCC1 62a_100011218427_100011217769 [0,2,0,1,0,0|1,0,0]=4 51597 B12R1.1343 C[C@@H](Cl)COC1CCCCCC1 34a_100016084084_100011217769 [0,2,0,1,0,0|1,0,0]=4 51598 B12R1.1343 C[C@@H](N)COC1CCCCCC1 34a_100000737577_100011217769 [0,2,0,1,0,0|1,0,0]=4 51599 B12R1.1343 C[C@@H](O)CNC1CCCCCC1 2230a_100000210984_100009817552 [0,2,0,1,0,0|1,0,0]=4 51600 B12R1.1343 C[C@@H](O)CNC1CCCCCC1 34a_100000210984_100009817552 [0,2,0,1,0,0|1,0,0]=4 51601 B12R1.1343 C[C@@H](O)COC1CCCCCC1 34a_100000210887_100009817552 [0,2,0,1,0,0|1,0,0]=4 51602 B12R1.1343 C[C@@H](O)COC1CCCCCC1 7a_100000210887_100009817552 [0,2,0,1,0,0|1,0,0]=4 51603 B12R1.1343 C[C@@H](O)CSC1CCCCCC1 62a_100009817552_100011217769 [0,2,0,1,0,0|1,0,0]=4 51604 B12R1.1343 C[C@@H](O)CSC1CCCCCC1 62a_100011217769_100009817552 [0,2,0,1,0,0|1,0,0]=4 51605 B12R1.2004 CCCCOC1(CCC1(F)F)F 34a_100000210227_200000036048 [0,2,0,1,0,0|1,0,0]=4 51606 B12R1.2132 CCCCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210326 [0,2,0,1,0,0|1,0,0]=4 51607 B12R1.21 CC(C)CCN1CCC(CC1)C 2230a_100000188429_100000210312 [0,2,0,1,0,0|1,0,0]=4 51608 B12R1.21 CC(C)CCN1CCC(CC1)C 269982a_100000188429_100000210312 [0,2,0,1,0,0|1,0,0]=4 51609 B12R1.21 CC(C)CCN1CCC(CC1)C 34a_100000188429_100000210312 [0,2,0,1,0,0|1,0,0]=4 51610 B12R1.21 CC(C)CCN1CCC(CC1)F 2230a_100015193889_100000210312 [0,2,0,1,0,0|1,0,0]=4 51611 B12R1.21 CC(C)CCN1CCC(CC1)F 269982a_100015193889_100000210312 [0,2,0,1,0,0|1,0,0]=4 51612 B12R1.21 CC(C)CCN1CCC(CC1)F 34a_100015193889_100000210312 [0,2,0,1,0,0|1,0,0]=4 51613 B12R1.21 CC(C)CCN1CCC(CC1)O 2230a_100025773856_100000210312 [0,2,0,1,0,0|1,0,0]=4 51614 B12R1.21 CC(C)CCN1CCC(CC1)O 269982a_100025773856_100000210312 [0,2,0,1,0,0|1,0,0]=4 51615 B12R1.21 CC(O)CCN1CCC(CC1)C 2230a_100000188429_100012276601 [0,2,0,1,0,0|1,0,0]=4 51616 B12R1.21 CC(O)CCN1CCC(CC1)C 269982a_100000188429_100012276601 [0,2,0,1,0,0|1,0,0]=4 51617 B12R1.21 CC(O)CCN1CCC(CC1)C 34a_100000188429_100012276601 [0,2,0,1,0,0|1,0,0]=4 51618 B12R1.21 CC(O)CCN1CCC(CC1)F 2230a_100015193889_100012276601 [0,2,0,1,0,0|1,0,0]=4 51619 B12R1.21 CC(O)CCN1CCC(CC1)F 269982a_100015193889_100012276601 [0,2,0,1,0,0|1,0,0]=4 51620 B12R1.21 CC(O)CCN1CCC(CC1)F 34a_100015193889_100012276601 [0,2,0,1,0,0|1,0,0]=4 51621 B12R1.21 CC(O)CCN1CCC(CC1)O 2230a_100025773856_100012276601 [0,2,0,1,0,0|1,0,0]=4 51622 B12R1.21 CC(O)CCN1CCC(CC1)O 269982a_100025773856_100012276601 [0,2,0,1,0,0|1,0,0]=4 51623 B12R1.26 CC1CCC(C1)OCC(O)CO 34a_100000698185_100011219619 [0,2,0,1,0,0|1,0,0]=4 51624 B12R1.26 CC1CCC(C1)OC[C@@H](C)CO 34a_100000698185_100000059175 [0,2,0,1,0,0|1,0,0]=4 51625 B12R1.26 CC1CCC(C1)OC[C@@H](O)CF 34a_100000698185_100015614560 [0,2,0,1,0,0|1,0,0]=4 51626 B12R1.26 CC1CCC(C1)OC[C@@H](O)CO 34a_100000698185_100009815848 [0,2,0,1,0,0|1,0,0]=4 51627 B12R1.26 CCC(C)CNC1CCC(C1)C 270004a_100020588543_100011215218 [0,2,0,1,0,0|1,0,0]=4 51628 B12R1.26 CCC(C)CNC1CCC(C1)O 270004a_100020588543_100012614533 [0,2,0,1,0,0|1,0,0]=4 51629 B12R1.26 CCC(C)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000748023 [0,2,0,1,0,0|1,0,0]=4 51630 B12R1.26 CCC(C)CN[C@H]1CC[C@H](C1)O 270004a_100015195300_100000243153 [0,2,0,1,0,0|1,0,0]=4 51631 B12R1.26 CCC(C)COC1CCC(=O)C1 34a_100012614533_100000748023 [0,2,0,1,0,0|0,0,1]=4 51632 B12R1.26 CCC(C)COC1CCC(C1)C 34a_100000698185_100000748023 [0,2,0,1,0,0|0,0,0]=3 51633 B12R1.26 CCC(O)CNC1CCC(C1)C 270004a_100011218483_100011215218 [0,2,0,1,0,0|1,0,0]=4 51634 B12R1.26 CCC(O)CNC1CCC(C1)O 270004a_100011218483_100012614533 [0,2,0,1,0,0|1,0,0]=4 51635 B12R1.26 CCC(O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011218378 [0,2,0,1,0,0|1,0,0]=4 51636 B12R1.26 CCC(O)COC1CCC(=O)C1 34a_100012614533_100011218378 [0,2,0,1,0,0|0,0,1]=4 51637 B12R1.26 CCC(O)COC1CCC(C1)C 34a_100000698185_100011218378 [0,2,0,1,0,0|0,0,0]=3 51638 B12R1.26 CC[C@H](C)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100009816398 [0,2,0,1,0,0|1,0,0]=4 51639 B12R1.26 CC[C@H](C)COC1CCC(=O)C1 34a_100012614533_100009816398 [0,2,0,1,0,0|0,0,1]=4 51640 B12R1.26 CC[C@H](C)COC1CCC(C1)C 34a_100000698185_100009816398 [0,2,0,1,0,0|0,0,0]=3 51641 B12R1.26 CC[C@H](C)COC1CCN(C1)C 7a_100009816381_200012183744 [0,2,0,1,0,0|1,0,0]=4 51642 B12R1.229 CC(=O)CCCCN1CCC1C 269982a_100000755817_100000735457 [0,2,0,1,0,0|1,0,0]=4 51643 B12R1.229 CC(=O)CCCCN1CCC1C 34a_100000755817_100009817362 [0,2,0,1,0,0|1,0,0]=4 51644 B12R1.229 CC(C)CCCCN1CCC1C 269982a_100000755817_100011216152 [0,2,0,1,0,0|1,0,0]=4 51645 B12R1.229 CC(C)CCCCN1CCC1C 34a_100000755817_100011216152 [0,2,0,1,0,0|1,0,0]=4 51646 B12R1.229 CC(C)CCCOC1CCC1=O 34a_100000210774_100009892977 [0,2,0,1,0,0|0,0,1]=4 51647 B12R1.229 CC(C)CCCOC1CCC1=O 7a_100000210774_100009892977 [0,2,0,1,0,0|0,0,1]=4 51648 B12R1.229 CC1CCN1CCCCN(C)C 269982a_100000755817_100000690147 [0,2,0,1,0,0|1,0,0]=4 51649 B12R1.257 C=C(C)CCOCCC1COC1 34a_100009855314_100000730704 [0,2,0,1,0,0|0,0,1]=4 51650 B12R1.257 CC(=CCCOCC1CCC1)C 34a_100000760304_100011217483 [0,2,0,1,0,0|0,0,1]=4 51651 B12R1.257 CC(=O)CCCCNC1CCC1 34a_100000749019_100009817362 [0,2,0,1,0,0|1,0,0]=4 51652 B12R1.257 CC(=O)CCCCOC1CCC1 34a_100000748187_100009817362 [0,2,0,1,0,0|0,0,0]=3 51653 B12R1.257 CC(=O)CCCCOC1CSC1 7a_100000072292_100000735457 [0,2,0,1,0,0|1,0,0]=4 51654 B12R1.257 CC(=O)CCCCSC1CCC1 62a_100000735457_100000749161 [0,2,0,1,0,0|0,1,0]=4 51655 B12R1.257 CC(=O)CCCNCC1CCC1 34a_100000738700_100000685027 [0,2,0,1,0,0|1,0,0]=4 51656 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000759063_100000763275 [0,2,0,1,0,0|0,0,0]=3 51657 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000760304_100000685027 [0,2,0,1,0,0|0,0,0]=3 51658 B12R1.257 CC(=O)CCCOCC1CCC1 7a_100000759063_100000763275 [0,2,0,1,0,0|0,0,0]=3 51659 B12R1.257 CC(=O)CCCOCC1CCO1 34a_100000039022_100000685027 [0,2,0,1,0,0|0,0,1]=4 51660 B12R1.257 CC(=O)CCCOCC1CCO1 34a_100000759063_100000103362 [0,2,0,1,0,0|0,0,1]=4 51661 B12R1.257 CC(=O)CCCOCC1CCO1 7a_100000759063_100000103362 [0,2,0,1,0,0|0,0,1]=4 51662 B12R1.257 CC(=O)CCCOCC1CNC1 34a_100016987283_100000685027 [0,2,0,1,0,0|0,0,1]=4 51663 B12R1.257 CC(=O)CCCOCC1COC1 34a_100000060846_100000685027 [0,2,0,1,0,0|0,0,1]=4 51664 B12R1.257 CC(=O)CCCOCC1COC1 34a_100000759063_100010264016 [0,2,0,1,0,0|0,0,1]=4 51665 B12R1.257 CC(=O)CCCOCC1COC1 7a_100000759063_100010264016 [0,2,0,1,0,0|0,0,1]=4 51666 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100000763275_100011215641 [0,2,0,1,0,0|0,1,0]=4 51667 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100011215641_100000763275 [0,2,0,1,0,0|0,1,0]=4 51668 B12R1.257 CC(=O)NCCCOC1CCC1 34a_100000752032_100000749161 [0,2,0,1,0,0|0,0,1]=4 51669 B12R1.257 CC(=O)NCCOCC1CCC1 34a_100000158858_100000763275 [0,2,0,1,0,0|0,0,1]=4 51670 B12R1.257 CC(=O)OCCCOC1CCC1 34a_100000748187_100000042594 [0,2,0,1,0,0|0,0,1]=4 51671 B12R1.257 CC(=O)OCCOCC1CCC1 34a_100000760304_100009814007 [0,2,0,1,0,0|0,0,1]=4 51672 B12R1.257 CC(=O)SCCCOC1CCC1 34a_100000748187_100000038929 [0,2,0,1,0,0|0,0,1]=4 51673 B12R1.257 CC(=S)OCCCOC1CCC1 34a_100000748187_200135323944 [0,2,0,1,0,0|0,0,1]=4 51674 B12R1.257 CC(C)CCCCCN1CCC1 269982a_100000754969_100000210682 [0,2,0,1,0,0|1,0,0]=4 51675 B12R1.257 CC(C)CCCCNC1CCC1 2230a_100000749019_100011216152 [0,2,0,1,0,0|1,0,0]=4 51676 B12R1.257 CC(C)CCCCNC1CCC1 34a_100000749019_100011216152 [0,2,0,1,0,0|1,0,0]=4 51677 B12R1.257 CC(C)CCCCOC1CCC1 34a_100000748187_100011216152 [0,2,0,1,0,0|0,0,0]=3 51678 B12R1.257 CC(C)CCCCOC1CCC1 34a_100011214890_100000749161 [0,2,0,1,0,0|0,0,0]=3 51679 B12R1.257 CC(C)CCCCOC1COC1 34a_100011214890_100009818527 [0,2,0,1,0,0|1,0,0]=4 51680 B12R1.257 CC(C)CCCCOC1COC1 7a_100011214890_100009818527 [0,2,0,1,0,0|1,0,0]=4 51681 B12R1.257 CC(C)CCCCOC1CSC1 7a_100000072292_100011216152 [0,2,0,1,0,0|1,0,0]=4 51682 B12R1.257 CC(C)CCCCSC1CCC1 62a_100011216152_100000749161 [0,2,0,1,0,0|0,1,0]=4 51683 B12R1.257 CC(C)CCCNCC1CCC1 2230a_100000738700_100011214892 [0,2,0,1,0,0|1,0,0]=4 51684 B12R1.257 CC(C)CCCNCC1CCC1 2230a_200000737386_100000763275 [0,2,0,1,0,0|1,0,0]=4 51685 B12R1.257 CC(C)CCCNCC1CCC1 269862a_200000737386_100000753134 [0,2,0,1,0,0|1,0,0]=4 51686 B12R1.257 CC(C)CCCNCC1CCC1 34a_100000738700_100011214892 [0,2,0,1,0,0|1,0,0]=4 51687 B12R1.257 CC(C)CCCNCC1CCC1 34a_200000737386_100000763275 [0,2,0,1,0,0|1,0,0]=4 51688 B12R1.257 CC(C)CCCNCC1CCO1 2230a_200000737386_100000103362 [0,2,0,1,0,0|1,0,0]=4 51689 B12R1.257 CC(C)CCCNCC1CCO1 34a_200000737386_100000103362 [0,2,0,1,0,0|1,0,0]=4 51690 B12R1.257 CC(C)CCCNCC1COC1 2230a_100015281925_100011214892 [0,2,0,1,0,0|1,0,0]=4 51691 B12R1.257 CC(C)CCCNCC1COC1 2230a_200000737386_100010264016 [0,2,0,1,0,0|1,0,0]=4 51692 B12R1.257 CC(C)CCCNCC1COC1 34a_100015281925_100011214892 [0,2,0,1,0,0|1,0,0]=4 51693 B12R1.257 CC(C)CCCNCC1COC1 34a_200000737386_100010264016 [0,2,0,1,0,0|1,0,0]=4 51694 B12R1.257 CC(C)CCCNC[C@@H]1CCO1 2230a_100020831831_100011214892 [0,2,0,1,0,0|1,0,0]=4 51695 B12R1.257 CC(C)CCCNC[C@@H]1CCO1 34a_100020831831_100011214892 [0,2,0,1,0,0|1,0,0]=4 51696 B12R1.257 CC(C)CCCOCC1CCC1 34a_100000210774_100000763275 [0,2,0,1,0,0|0,0,0]=3 51697 B12R1.257 CC(C)CCCOCC1CCC1 34a_100000760304_100011214892 [0,2,0,1,0,0|0,0,0]=3 51698 B12R1.257 CC(C)CCCOCC1CCC1 7a_100000210774_100000763275 [0,2,0,1,0,0|0,0,0]=3 51699 B12R1.257 CC(C)CCCOCC1CCO1 34a_100000039022_100011214892 [0,2,0,1,0,0|0,0,0]=3 51700 B12R1.257 CC(C)CCCOCC1CCO1 34a_100000210774_100000103362 [0,2,0,1,0,0|0,0,0]=3 51701 B12R1.257 CC(C)CCCOCC1CCO1 7a_100000210774_100000103362 [0,2,0,1,0,0|0,0,0]=3 51702 B12R1.257 CC(C)CCCOCC1CNC1 34a_100016987283_100011214892 [0,2,0,1,0,0|0,0,0]=3 51703 B12R1.257 CC(C)CCCOCC1COC1 34a_100000060846_100011214892 [0,2,0,1,0,0|0,0,0]=3 51704 B12R1.257 CC(C)CCCOCC1COC1 34a_100000210774_100010264016 [0,2,0,1,0,0|0,0,0]=3 51705 B12R1.257 CC(C)CCCOCC1COC1 7a_100000210774_100010264016 [0,2,0,1,0,0|0,0,0]=3 51706 B12R1.257 CC(C)CCCSCC1CCC1 62a_100000763275_100011214892 [0,2,0,1,0,0|0,1,0]=4 51707 B12R1.257 CC(C)CCCSCC1CCC1 62a_100011214892_100000763275 [0,2,0,1,0,0|0,1,0]=4 51708 B12R1.257 CC(C)CCCSCC1CCO1 62a_100000103362_100011214892 [0,2,0,1,0,0|0,1,0]=4 51709 B12R1.257 CC(C)CCCSCC1CCO1 62a_100011214892_100000103362 [0,2,0,1,0,0|0,1,0]=4 51710 B12R1.257 CC(C)CCCSCC1COC1 62a_100010264016_100011214892 [0,2,0,1,0,0|0,1,0]=4 51711 B12R1.257 CC(C)CCCSCC1COC1 62a_100011214892_100010264016 [0,2,0,1,0,0|0,1,0]=4 51712 B12R1.257 CC(C)CCOCCC1COC1 34a_100009855314_100000210312 [0,2,0,1,0,0|0,0,0]=3 51713 B12R1.257 CC(C)CNCCOC1CCC1 34a_100015185251_100000749161 [0,2,0,1,0,0|0,0,0]=3 51714 B12R1.257 CC(C)CNCCOC1COC1 34a_100015185251_100009818527 [0,2,0,1,0,0|1,0,0]=4 51715 B12R1.257 CC(C)COCCOC1CCC1 34a_100000703358_100000749161 [0,2,0,1,0,0|0,0,0]=3 51716 B12R1.257 CC(C)COCCOC1COC1 34a_100000703358_100009818527 [0,2,0,1,0,0|1,0,0]=4 51717 B12R1.257 CC(C)COCCOC1COC1 7a_100000703358_100009818527 [0,2,0,1,0,0|1,0,0]=4 51718 B12R1.257 CC(C)CSCCOC1CCC1 34a_200000230437_100000749161 [0,2,0,1,0,0|0,0,0]=3 51719 B12R1.257 CC(C)CSCCOC1COC1 34a_200000230437_100009818527 [0,2,0,1,0,0|1,0,0]=4 51720 B12R1.257 CC(C)CSCCOC1COC1 7a_200000230437_100009818527 [0,2,0,1,0,0|1,0,0]=4 51721 B12R1.257 CC(C)NCCCOC1CCC1 34a_100000182298_100000749161 [0,2,0,1,0,0|0,0,0]=3 51722 B12R1.257 CC(C)NCCCOC1COC1 34a_100000182298_100009818527 [0,2,0,1,0,0|1,0,0]=4 51723 B12R1.257 CC(C)NCCOCC1CCC1 34a_100000224655_100000763275 [0,2,0,1,0,0|0,0,0]=3 51724 B12R1.257 CC(C)NCCOCC1CCO1 34a_100000224655_100000103362 [0,2,0,1,0,0|1,0,0]=4 51725 B12R1.257 CC(C)NCCOCC1COC1 34a_100000224655_100010264016 [0,2,0,1,0,0|1,0,0]=4 51726 B12R1.257 CC(C)OCCCNC1CCC1 270004a_100000737246_100000241760 [0,2,0,1,0,0|1,0,0]=4 51727 B12R1.257 CC(C)OCCCNC1CCC1 34a_100000737246_100000749161 [0,2,0,1,0,0|1,0,0]=4 51728 B12R1.257 CC(C)OCCNCC1CCC1 2230a_100000701111_100000763275 [0,2,0,1,0,0|1,0,0]=4 51729 B12R1.257 CC(C)OCCNCC1CCC1 2230a_100000738700_100000211751 [0,2,0,1,0,0|1,0,0]=4 51730 B12R1.257 CC(C)OCCNCC1CCC1 269862a_100000701111_100000753134 [0,2,0,1,0,0|1,0,0]=4 51731 B12R1.257 CC(C)OCCNCC1CCC1 34a_100000701111_100000763275 [0,2,0,1,0,0|1,0,0]=4 51732 B12R1.257 CC(C)OCCNCC1CCC1 34a_100000738700_100000211751 [0,2,0,1,0,0|1,0,0]=4 51733 B12R1.257 CC(C)OCCOCC1CCC1 34a_100000211219_100000763275 [0,2,0,1,0,0|0,0,0]=3 51734 B12R1.257 CC(C)OCCOCC1CCC1 34a_100000760304_100000211751 [0,2,0,1,0,0|0,0,0]=3 51735 B12R1.257 CC(C)OCCOCC1CCC1 7a_100000211219_100000763275 [0,2,0,1,0,0|0,0,0]=3 51736 B12R1.257 CC(C)OCCOCC1CCO1 34a_100000039022_100000211751 [0,2,0,1,0,0|1,0,0]=4 51737 B12R1.257 CC(C)OCCOCC1CCO1 34a_100000211219_100000103362 [0,2,0,1,0,0|1,0,0]=4 51738 B12R1.257 CC(C)OCCOCC1CCO1 7a_100000211219_100000103362 [0,2,0,1,0,0|1,0,0]=4 51739 B12R1.257 CC(C)OCCOCC1CNC1 34a_100016987283_100000211751 [0,2,0,1,0,0|1,0,0]=4 51740 B12R1.257 CC(C)OCCOCC1COC1 34a_100000060846_100000211751 [0,2,0,1,0,0|1,0,0]=4 51741 B12R1.257 CC(C)OCCOCC1COC1 34a_100000211219_100010264016 [0,2,0,1,0,0|1,0,0]=4 51742 B12R1.257 CC(C)OCCOCC1COC1 7a_100000211219_100010264016 [0,2,0,1,0,0|1,0,0]=4 51743 B12R1.257 CC(C)OCCSCC1CCC1 62a_100000211751_100000763275 [0,2,0,1,0,0|0,1,0]=4 51744 B12R1.257 CC(C)OCCSCC1CCC1 62a_100000763275_100000211751 [0,2,0,1,0,0|0,1,0]=4 51745 B12R1.257 CC(C)OCOCCC1COC1 34a_100009855314_100000709892 [0,2,0,1,0,0|1,0,0]=4 51746 B12R1.257 CC(C)SCCNCC1CCC1 2230a_100000731138_100000763275 [0,2,0,1,0,0|1,0,0]=4 51747 B12R1.257 CC(C)SCCNCC1CCC1 2230a_100000738700_100000730970 [0,2,0,1,0,0|1,0,0]=4 51748 B12R1.257 CC(C)SCCNCC1CCC1 269862a_100000731138_100000753134 [0,2,0,1,0,0|1,0,0]=4 51749 B12R1.257 CC(C)SCCNCC1CCC1 34a_100000731138_100000763275 [0,2,0,1,0,0|1,0,0]=4 51750 B12R1.257 CC(C)SCCNCC1CCC1 34a_100000738700_100000730970 [0,2,0,1,0,0|1,0,0]=4 51751 B12R1.257 CC(C)SCCOCC1CCC1 34a_100000760304_100000730970 [0,2,0,1,0,0|0,0,0]=3 51752 B12R1.257 CC(C)SCCOCC1CCC1 34a_200011212901_100000763275 [0,2,0,1,0,0|0,0,0]=3 51753 B12R1.257 CC(C)SCCOCC1CCC1 7a_200011212901_100000763275 [0,2,0,1,0,0|0,0,0]=3 51754 B12R1.257 CC(C)SCCOCC1CCO1 34a_100000039022_100000730970 [0,2,0,1,0,0|1,0,0]=4 51755 B12R1.257 CC(C)SCCOCC1CCO1 34a_200011212901_100000103362 [0,2,0,1,0,0|1,0,0]=4 51756 B12R1.257 CC(C)SCCOCC1CCO1 7a_200011212901_100000103362 [0,2,0,1,0,0|1,0,0]=4 51757 B12R1.257 CC(C)SCCOCC1CNC1 34a_100016987283_100000730970 [0,2,0,1,0,0|1,0,0]=4 51758 B12R1.257 CC(C)SCCOCC1COC1 34a_100000060846_100000730970 [0,2,0,1,0,0|1,0,0]=4 51759 B12R1.257 CC(C)SCCOCC1COC1 34a_200011212901_100010264016 [0,2,0,1,0,0|1,0,0]=4 51760 B12R1.257 CC(C)SCCOCC1COC1 7a_200011212901_100010264016 [0,2,0,1,0,0|1,0,0]=4 51761 B12R1.257 CC(C)SCCSCC1CCC1 62a_100000730970_100000763275 [0,2,0,1,0,0|0,1,0]=4 51762 B12R1.257 CC(C)SCCSCC1CCC1 62a_100000763275_100000730970 [0,2,0,1,0,0|0,1,0]=4 51763 B12R1.257 CC(O)CCCNCC1CCC1 2230a_100000738700_200000718107 [0,2,0,1,0,0|1,0,0]=4 51764 B12R1.257 CC(O)CCCNCC1CCC1 34a_100000738700_200000718107 [0,2,0,1,0,0|1,0,0]=4 51765 B12R1.257 CC(O)CCCNCC1COC1 2230a_100015281925_200000718107 [0,2,0,1,0,0|1,0,0]=4 51766 B12R1.257 CC(O)CCCNCC1COC1 34a_100015281925_200000718107 [0,2,0,1,0,0|1,0,0]=4 51767 B12R1.257 CC(O)CCCNC[C@@H]1CCO1 2230a_100020831831_200000718107 [0,2,0,1,0,0|1,0,0]=4 51768 B12R1.257 CC(O)CCCNC[C@@H]1CCO1 34a_100020831831_200000718107 [0,2,0,1,0,0|1,0,0]=4 51769 B12R1.257 CC(O)CCCOCC1CCC1 34a_100000760304_200000718107 [0,2,0,1,0,0|0,0,0]=3 51770 B12R1.257 CC(O)CCCOCC1CCO1 34a_100000039022_200000718107 [0,2,0,1,0,0|0,0,0]=3 51771 B12R1.257 CC(O)CCCOCC1CNC1 34a_100016987283_200000718107 [0,2,0,1,0,0|0,0,0]=3 51772 B12R1.257 CC(O)CCCOCC1COC1 34a_100000060846_200000718107 [0,2,0,1,0,0|0,0,0]=3 51773 B12R1.257 CC(O)CCCSCC1CCC1 62a_100000763275_200000718107 [0,2,0,1,0,0|0,1,0]=4 51774 B12R1.257 CC(O)CCCSCC1CCC1 62a_200000718107_100000763275 [0,2,0,1,0,0|0,1,0]=4 51775 B12R1.257 CC(O)CCCSCC1CCO1 62a_100000103362_200000718107 [0,2,0,1,0,0|0,1,0]=4 51776 B12R1.257 CC(O)CCCSCC1CCO1 62a_200000718107_100000103362 [0,2,0,1,0,0|0,1,0]=4 51777 B12R1.257 CC(O)CCCSCC1COC1 62a_100010264016_200000718107 [0,2,0,1,0,0|0,1,0]=4 51778 B12R1.257 CC(O)CCCSCC1COC1 62a_200000718107_100010264016 [0,2,0,1,0,0|0,1,0]=4 51779 B12R1.257 CC(O)CCOCCC1COC1 34a_100009855314_100012276601 [0,2,0,1,0,0|0,0,0]=3 51780 B12R1.257 CN(C)CCCNCC1CCC1 269862a_102531767803_100000753134 [0,2,0,1,0,0|1,0,0]=4 51781 B12R1.257 CN(C)CCCSCC1CCC1 62a_100000763275_100000757444 [0,2,0,1,0,0|0,1,0]=4 51782 B12R1.257 CS(=O)CCCNCC1CCC1 2230a_200000753449_100000763275 [0,2,0,1,0,0|1,0,0]=4 51783 B12R1.257 FC(F)COCCOC1CCC1 34a_100000704375_100000749161 [0,2,0,1,0,0|1,0,0]=4 51784 B12R1.257 FC(F)COCCOC1CCC1 34a_100000748187_200012177212 [0,2,0,1,0,0|1,0,0]=4 51785 B12R1.257 NC(=O)CCCCOC1CCC1 34a_100012022536_100000749161 [0,2,0,1,0,0|0,0,1]=4 51786 B12R1.257 NC(=O)CCCOCC1CCC1 34a_100000760304_100102525003 [0,2,0,1,0,0|0,0,1]=4 51787 B12R1.257 O=[N+]([O-])CCCCOC1CCC1 34a_200015379883_100000749161 [0,2,0,1,0,0|1,0,0]=4 51788 B12R1.257 O=[N+]([O-])CCCOCC1CCC1 34a_200000037920_100000763275 [0,2,0,1,0,0|1,0,0]=4 51789 B12R1.257 OB(O)CCCCOC1CCC1 34a_100000748187_200009817182 [0,2,0,1,0,0|1,0,0]=4 51790 B12R1.430 CCC1CN(C1)CCCC(C)C 2230a_100015205115_100011214892 [0,2,0,1,0,0|1,0,0]=4 51791 B12R1.430 CCC1CN(C1)CCCC(C)C 269982a_100015205115_100011214892 [0,2,0,1,0,0|1,0,0]=4 51792 B12R1.430 CCC1CN(C1)CCCC(C)O 2230a_100015205115_200000718107 [0,2,0,1,0,0|1,0,0]=4 51793 B12R1.430 CCC1CN(C1)CCCC(C)O 269982a_100015205115_200000718107 [0,2,0,1,0,0|1,0,0]=4 51794 B12R1.534 CCC(C)CN1CCCC1(C)C 2230a_100000761399_100000748023 [0,2,0,1,0,0|1,0,0]=4 51795 B12R1.534 CCC(C)CN1CCCC1(C)C 269982a_100000761399_100000748023 [0,2,0,1,0,0|1,0,0]=4 51796 B12R1.534 CCC(C)CN1CCCC1(C)C 270004a_100000761399_100000243153 [0,2,0,1,0,0|1,0,0]=4 51797 B12R1.534 CCC(C)CN1CCCC1(C)C 34a_100000761399_100000748023 [0,2,0,1,0,0|1,0,0]=4 51798 B12R1.534 CCC(O)CN1CCCC1(C)C 2230a_100000761399_100011218378 [0,2,0,1,0,0|1,0,0]=4 51799 B12R1.534 CCC(O)CN1CCCC1(C)C 269982a_100000761399_100011218378 [0,2,0,1,0,0|1,0,0]=4 51800 B12R1.534 CCC(O)CN1CCCC1(C)C 34a_100000761399_100011218378 [0,2,0,1,0,0|1,0,0]=4 51801 B12R1.534 CC[C@H](C)CN1CCCC1(C)C 2230a_100000761399_100009816398 [0,2,0,1,0,0|1,0,0]=4 51802 B12R1.534 CC[C@H](C)CN1CCCC1(C)C 269982a_100000761399_100009816398 [0,2,0,1,0,0|1,0,0]=4 51803 B12R1.534 CC[C@H](C)CN1CCCC1(C)C 34a_100000761399_100009816398 [0,2,0,1,0,0|1,0,0]=4 51804 B12R1.1222 CC(C)CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011214892 [0,2,0,1,0,0|1,0,0]=4 51805 B12R1.1222 CC(C)CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011214892 [0,2,0,1,0,0|1,0,0]=4 51806 B12R1.1222 CC(O)CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_200000718107 [0,2,0,1,0,0|1,0,0]=4 51807 B12R1.1222 CC(O)CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_200000718107 [0,2,0,1,0,0|1,0,0]=4 51808 B12R1.1361 CC(=O)CCCOCC1(CC1)C 7a_100000698024_100011215641 [0,2,0,1,0,0|0,0,1]=4 51809 B12R1.1361 CC(=O)CCCOCC1(CC1)F 34a_200000703853_100000685027 [0,2,0,1,0,0|0,0,1]=4 51810 B12R1.1361 CC(=O)CCCOCC1(CC1)F 7a_200000703853_100011215641 [0,2,0,1,0,0|0,0,1]=4 51811 B12R1.1361 CC(C)CCCNCC1(CC1)C 2230a_100000766693_100011214892 [0,2,0,1,0,0|1,0,0]=4 51812 B12R1.1361 CC(C)CCCNCC1(CC1)O 2230a_100011936951_100011214892 [0,2,0,1,0,0|1,0,0]=4 51813 B12R1.1361 CC(C)CCCOCC1(CC1)C 7a_100000698024_100011214892 [0,2,0,1,0,0|0,0,0]=3 51814 B12R1.1361 CC(C)CCCOCC1(CC1)F 34a_200000703853_100011214892 [0,2,0,1,0,0|0,0,0]=3 51815 B12R1.1361 CC(C)CCCOCC1(CC1)F 7a_200000703853_100011214892 [0,2,0,1,0,0|0,0,0]=3 51816 B12R1.1361 CC(C)CCCOCC1(CO1)C 34a_100000210774_100000760498 [0,2,0,1,0,0|1,0,0]=4 51817 B12R1.1361 CC(C)OCCOCC1(CC1)C 7a_100000698024_100000211751 [0,2,0,1,0,0|1,0,0]=4 51818 B12R1.1361 CC(C)OCCOCC1(CC1)F 34a_200000703853_100000211751 [0,2,0,1,0,0|1,0,0]=4 51819 B12R1.1361 CC(C)OCCOCC1(CC1)F 7a_200000703853_100000211751 [0,2,0,1,0,0|1,0,0]=4 51820 B12R1.1361 CC(C)SCCOCC1(CC1)C 7a_100000698024_100000730970 [0,2,0,1,0,0|1,0,0]=4 51821 B12R1.1361 CC(C)SCCOCC1(CC1)F 34a_200000703853_100000730970 [0,2,0,1,0,0|1,0,0]=4 51822 B12R1.1361 CC(C)SCCOCC1(CC1)F 7a_200000703853_100000730970 [0,2,0,1,0,0|1,0,0]=4 51823 B12R1.1361 CC(O)CCCNCC1(CC1)C 2230a_100000766693_200000718107 [0,2,0,1,0,0|1,0,0]=4 51824 B12R1.1361 CC(O)CCCNCC1(CC1)O 2230a_100011936951_200000718107 [0,2,0,1,0,0|1,0,0]=4 51825 B12R1.1361 CC(O)CCCOCC1(CC1)C 7a_100000698024_200000718107 [0,2,0,1,0,0|0,0,0]=3 51826 B12R1.1361 CC(O)CCCOCC1(CC1)F 34a_200000703853_200000718107 [0,2,0,1,0,0|0,0,0]=3 51827 B12R1.1361 CC(O)CCCOCC1(CC1)F 7a_200000703853_200000718107 [0,2,0,1,0,0|0,0,0]=3 51828 B12R1.1361 CN(C)CCCOCC1(CC1)C 7a_100000698024_100000757444 [0,2,0,1,0,0|1,0,0]=4 51829 B12R1.1361 CN(C)CCCOCC1(CC1)F 7a_200000703853_100000757444 [0,2,0,1,0,0|1,0,0]=4 51830 B12R1.1848 CC1(CC1COCC(O)CO)C 34a_100000728257_100011219619 [0,2,0,1,0,0|1,0,0]=4 51831 B12R1.1848 CC1(CC1COCC(O)CO)C 7a_100000728257_100011219619 [0,2,0,1,0,0|1,0,0]=4 51832 B12R1.1848 CC1(CC1COC[C@@H](O)CF)C 34a_100000728257_100015614560 [0,2,0,1,0,0|1,0,0]=4 51833 B12R1.1848 CC1(CC1COC[C@@H](O)CF)C 7a_100000728257_100015614560 [0,2,0,1,0,0|1,0,0]=4 51834 B12R1.1848 CC1(CC1COC[C@@H](O)CO)C 34a_100000728257_100009815848 [0,2,0,1,0,0|1,0,0]=4 51835 B12R1.1848 CC1(CC1COC[C@@H](O)CO)C 7a_100000728257_100009815848 [0,2,0,1,0,0|1,0,0]=4 51836 B12R1.1848 CCC(=O)COCC1CC1(C)C 7a_100000728257_100000747405 [0,2,0,1,0,0|0,0,1]=4 51837 B12R1.1848 CCC(C)COCC1CC1(C)C 34a_100000728257_100000748023 [0,2,0,1,0,0|0,0,0]=3 51838 B12R1.1848 CCC(C)COCC1CC1(C)C 7a_100000728257_100000748023 [0,2,0,1,0,0|0,0,0]=3 51839 B12R1.1848 CCC(C)COCC1CC1(F)F 34a_100000056500_100000748023 [0,2,0,1,0,0|1,0,0]=4 51840 B12R1.1848 CCC(C)COCC1CC1(F)F 7a_100000056500_100000748023 [0,2,0,1,0,0|1,0,0]=4 51841 B12R1.1848 CCC(C)COCC1OC1(C)C 34a_200010283642_100000748023 [0,2,0,1,0,0|1,0,0]=4 51842 B12R1.1848 CCC(C)COCC1OC1(C)C 7a_200010283642_100000748023 [0,2,0,1,0,0|1,0,0]=4 51843 B12R1.1848 CCC(O)COCC1CC1(C)C 34a_100000728257_100011218378 [0,2,0,1,0,0|0,0,0]=3 51844 B12R1.1848 CCC(O)COCC1CC1(C)C 7a_100000728257_100011218378 [0,2,0,1,0,0|0,0,0]=3 51845 B12R1.1848 CCC(O)COCC1CC1(F)F 34a_100000056500_100011218378 [0,2,0,1,0,0|1,0,0]=4 51846 B12R1.1848 CCC(O)COCC1CC1(F)F 7a_100000056500_100011218378 [0,2,0,1,0,0|1,0,0]=4 51847 B12R1.1848 CCC(O)COCC1OC1(C)C 34a_200010283642_100011218378 [0,2,0,1,0,0|1,0,0]=4 51848 B12R1.1848 CCC(O)COCC1OC1(C)C 7a_200010283642_100011218378 [0,2,0,1,0,0|1,0,0]=4 51849 B12R1.1848 CC[C@H](C)COCC1CC1(C)C 34a_100000728257_100009816398 [0,2,0,1,0,0|0,0,0]=3 51850 B12R1.1848 CC[C@H](C)COCC1CC1(C)C 7a_100000728257_100009816398 [0,2,0,1,0,0|0,0,0]=3 51851 B12R1.1848 CC[C@H](C)COCC1CC1(F)F 34a_100000056500_100009816398 [0,2,0,1,0,0|1,0,0]=4 51852 B12R1.1848 CC[C@H](C)COCC1CC1(F)F 7a_100000056500_100009816398 [0,2,0,1,0,0|1,0,0]=4 51853 B12R1.1848 CC[C@H](C)COCC1CC1(F)F 7a_100009816381_100009817841 [0,2,0,1,0,0|1,0,0]=4 51854 B12R1.1848 CC[C@H](C)COCC1OC1(C)C 34a_200010283642_100009816398 [0,2,0,1,0,0|1,0,0]=4 51855 B12R1.1848 CC[C@H](C)COCC1OC1(C)C 7a_200010283642_100009816398 [0,2,0,1,0,0|1,0,0]=4 51856 B12R1.1848 C[C@@H](CO)COCC1CC1(C)C 34a_100000728257_100000059175 [0,2,0,1,0,0|1,0,0]=4 51857 B12R1.1848 C[C@@H](CO)COCC1CC1(C)C 7a_100000728257_100000059175 [0,2,0,1,0,0|1,0,0]=4 51858 B12R1.29 CCCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210211 [0,2,0,1,0,0|1,0,0]=4 51859 B12R1.29 CCCCC(C)N1CCC(C1)O 2230a_100011215560_200011215066 [0,2,0,1,0,0|1,0,0]=4 51860 B12R1.29 CCCCC(C)N1CCC(C1)O 269982a_100011215560_200011215066 [0,2,0,1,0,0|1,0,0]=4 51861 B12R1.29 CCCCC(C)N1CCC(C1)O 270004a_100011215560_100000210087 [0,2,0,1,0,0|1,0,0]=4 51862 B12R1.29 CCCCC(C)N1CC[C@@H](C1)F 2230a_100015203821_200011215066 [0,2,0,1,0,0|1,0,0]=4 51863 B12R1.29 CCCCC(C)N1CC[C@@H](C1)F 269982a_100015203821_200011215066 [0,2,0,1,0,0|1,0,0]=4 51864 B12R1.29 CCCCC(C)N1CC[C@@H](C1)F 270004a_100015203821_100000210087 [0,2,0,1,0,0|1,0,0]=4 51865 B12R1.29 CCCCC(C)N1CC[C@@H](C1)F 34a_100015203821_200011215066 [0,2,0,1,0,0|1,0,0]=4 51866 B12R1.29 CCCCC(C)N1CC[C@H](C1)C 2230a_100016987628_200011215066 [0,2,0,1,0,0|1,0,0]=4 51867 B12R1.29 CCCCC(C)N1CC[C@H](C1)C 269982a_100016987628_200011215066 [0,2,0,1,0,0|1,0,0]=4 51868 B12R1.29 CCCCC(C)N1CC[C@H](C1)C 270004a_100016987628_100000210087 [0,2,0,1,0,0|1,0,0]=4 51869 B12R1.29 CCCCC(C)N1CC[C@H](C1)C 34a_100016987628_200011215066 [0,2,0,1,0,0|1,0,0]=4 51870 B12R1.29 CCCCN(C)C1CCC(C1)C 270004a_100000207549_100011215218 [0,2,0,1,0,0|1,0,0]=4 51871 B12R1.29 CCCCN(C)C1CCC(C1)O 270004a_100000207549_100012614533 [0,2,0,1,0,0|1,0,0]=4 51872 B12R1.125 CC(C)CCN1CCCCC1C 2230a_100000211376_100000210312 [0,2,0,1,0,0|1,0,0]=4 51873 B12R1.125 CC(C)CCN1CCCCC1C 269982a_100000211376_100000210312 [0,2,0,1,0,0|1,0,0]=4 51874 B12R1.125 CC(C)CCN1CCCCC1C 34a_100000211376_100000210312 [0,2,0,1,0,0|1,0,0]=4 51875 B12R1.125 CC(C)CCN1CCOC[C@@H]1C 2230a_100009815349_100000210312 [0,2,0,1,0,0|1,0,0]=4 51876 B12R1.125 CC(C)CCN1CCOC[C@@H]1C 269982a_100009815349_100000210312 [0,2,0,1,0,0|1,0,0]=4 51877 B12R1.125 CC(C)CCN1CCOC[C@@H]1C 34a_100009815349_100000210312 [0,2,0,1,0,0|1,0,0]=4 51878 B12R1.125 CC(C)CNC1CCCCC1C 2230a_100000211402_100000210760 [0,2,0,1,0,0|1,0,0]=4 51879 B12R1.125 CC(C)CNC1CCCCC1C 269862a_100000210953_100000210921 [0,2,0,1,0,0|1,0,0]=4 51880 B12R1.125 CC(C)CNC1CCCCC1C 270004a_100000210953_100000210921 [0,2,0,1,0,0|1,0,0]=4 51881 B12R1.125 CC(C)CNC1CCCCC1C 270004a_100000211402_100000210432 [0,2,0,1,0,0|1,0,0]=4 51882 B12R1.125 CC(C)CNC1CCCCC1C 34a_100000211402_100000210624 [0,2,0,1,0,0|1,0,0]=4 51883 B12R1.125 CC(C)CN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210760 [0,2,0,1,0,0|1,0,0]=4 51884 B12R1.125 CC(C)CN[C@H]1COCC[C@@H]1O 270004a_100015739063_100000210432 [0,2,0,1,0,0|1,0,0]=4 51885 B12R1.125 CC(C)COC1CCCCC1C 34a_100000211207_100000210624 [0,2,0,1,0,0|1,0,0]=4 51886 B12R1.125 CC(C)COC1CCCCC1C 7a_100000211207_100000210760 [0,2,0,1,0,0|1,0,0]=4 51887 B12R1.125 CC(C)COC1CNCCC1C 34a_100000696640_100000210624 [0,2,0,1,0,0|1,0,0]=4 51888 B12R1.125 CC(C)CO[C@H]1COCC[C@H]1N 34a_100016994285_100000210624 [0,2,0,1,0,0|1,0,0]=4 51889 B12R1.125 CC(C)OCC1COCCC1N 34a_214813039666_100000210206 [0,2,0,1,0,0|1,0,0]=4 51890 B12R1.125 CC(C)OCC1COCCN1C 34a_100013547906_100000210206 [0,2,0,1,0,0|1,0,0]=4 51891 B12R1.125 CC(O)CCN1CCCCC1C 2230a_100000211376_100012276601 [0,2,0,1,0,0|1,0,0]=4 51892 B12R1.125 CC(O)CCN1CCCCC1C 269982a_100000211376_100012276601 [0,2,0,1,0,0|1,0,0]=4 51893 B12R1.125 CC(O)CCN1CCCCC1C 34a_100000211376_100012276601 [0,2,0,1,0,0|1,0,0]=4 51894 B12R1.125 CC(O)CCN1CCOC[C@@H]1C 2230a_100009815349_100012276601 [0,2,0,1,0,0|1,0,0]=4 51895 B12R1.125 CC(O)CCN1CCOC[C@@H]1C 269982a_100009815349_100012276601 [0,2,0,1,0,0|1,0,0]=4 51896 B12R1.125 CC(O)CCN1CCOC[C@@H]1C 34a_100009815349_100012276601 [0,2,0,1,0,0|1,0,0]=4 51897 B12R1.125 CC(O)CNC1CCCCC1C 2230a_100000211402_100011218427 [0,2,0,1,0,0|1,0,0]=4 51898 B12R1.125 CC(O)CNC1CCCCC1C 269862a_100000210904_100000210921 [0,2,0,1,0,0|1,0,0]=4 51899 B12R1.125 CC(O)CNC1CCCCC1C 270004a_100000210904_100000210921 [0,2,0,1,0,0|1,0,0]=4 51900 B12R1.125 CC(O)CNC1CCCCC1C 34a_100000211402_100011218427 [0,2,0,1,0,0|1,0,0]=4 51901 B12R1.125 CC(O)CN[C@H]1COCC[C@@H]1O 2230a_100015739063_100011218427 [0,2,0,1,0,0|1,0,0]=4 51902 B12R1.125 CC(O)COC1CCCCC1C 34a_100000211207_100011218427 [0,2,0,1,0,0|1,0,0]=4 51903 B12R1.125 CC(O)COC1CCCCC1C 7a_100000211207_100011218427 [0,2,0,1,0,0|1,0,0]=4 51904 B12R1.125 CC(O)COC1CNCCC1C 34a_100000696640_100011218427 [0,2,0,1,0,0|1,0,0]=4 51905 B12R1.125 CC(O)CO[C@H]1COCC[C@H]1N 34a_100016994285_100011218427 [0,2,0,1,0,0|1,0,0]=4 51906 B12R1.125 CC1CCCCC1NC[C@@H](C)O 2230a_100000211402_100009817552 [0,2,0,1,0,0|1,0,0]=4 51907 B12R1.125 CC1CCCCC1NC[C@@H](C)O 34a_100000211402_100009817552 [0,2,0,1,0,0|1,0,0]=4 51908 B12R1.125 CC1CCCCC1OC[C@@H](C)O 34a_100000211207_100009817552 [0,2,0,1,0,0|1,0,0]=4 51909 B12R1.125 CC1CCCCC1OC[C@@H](C)O 7a_100000211207_100009817552 [0,2,0,1,0,0|1,0,0]=4 51910 B12R1.125 CC1CCNCC1OC[C@@H](C)O 34a_100000696640_100009817552 [0,2,0,1,0,0|1,0,0]=4 51911 B12R1.125 C[C@@H](O)CN[C@H]1COCC[C@@H]1O 2230a_100015739063_100009817552 [0,2,0,1,0,0|1,0,0]=4 51912 B12R1.125 C[C@@H](O)CO[C@H]1COCC[C@H]1N 34a_100016994285_100009817552 [0,2,0,1,0,0|1,0,0]=4 51913 B12R1.252 C=C(C)CCOC1CCCCC1 34a_100000210231_100000730704 [0,2,0,1,0,0|0,0,1]=4 51914 B12R1.252 C=C(C)CCOC1CCCCC1 34a_100000764851_100000210327 [0,2,0,1,0,0|0,0,1]=4 51915 B12R1.252 C=C(C)CCOC1CCCCC1 7a_100000210231_100000730704 [0,2,0,1,0,0|0,0,1]=4 51916 B12R1.252 C=C(C)CCOC1CCCCO1 34a_100000033831_100000730704 [0,2,0,1,0,0|0,0,1]=4 51917 B12R1.252 C=C(C)CCOC1CCCOC1 34a_100000754041_100000730704 [0,2,0,1,0,0|0,0,1]=4 51918 B12R1.252 C=C(C)CCOC1CCCOC1 34a_100000764851_100000693364 [0,2,0,1,0,0|0,0,1]=4 51919 B12R1.252 C=C(C)CCOC1CCCSC1 7a_100015962668_100000730704 [0,2,0,1,0,0|0,0,1]=4 51920 B12R1.252 C=C(C)CCOC1CCOCC1 34a_100000744328_100000730704 [0,2,0,1,0,0|0,0,1]=4 51921 B12R1.252 C=C(C)CCOC1CCSCC1 34a_100000731022_100000730704 [0,2,0,1,0,0|0,0,1]=4 51922 B12R1.252 C=C(C)CCOC1CCSCC1 34a_100000764851_100000069128 [0,2,0,1,0,0|0,0,1]=4 51923 B12R1.252 C=C(C)CCOC1CCSCC1 7a_100000731022_100000730704 [0,2,0,1,0,0|0,0,1]=4 51924 B12R1.252 C=C(C)CNCC1CCCCO1 2230a_100000174945_100000748629 [0,2,0,1,0,0|0,0,1]=4 51925 B12R1.252 C=C(C)CNCC1CCCCO1 34a_100000174945_100000748629 [0,2,0,1,0,0|0,0,1]=4 51926 B12R1.252 C=C(C)COCC1CCCCO1 34a_100000210245_100000211543 [0,2,0,1,0,0|0,0,1]=4 51927 B12R1.252 C=C(C)COCC1CCCCO1 34a_100000211370_100000748629 [0,2,0,1,0,0|0,0,1]=4 51928 B12R1.252 C=C(C)COCC1CCCCO1 7a_100000211370_100000748629 [0,2,0,1,0,0|0,0,1]=4 51929 B12R1.252 C=C(C)CSCC1CCCCO1 62a_100000211543_100000211660 [0,2,0,1,0,0|0,0,1]=4 51930 B12R1.252 C=C(C)CSCC1CCCCO1 62a_100000748629_100000211543 [0,2,0,1,0,0|0,0,1]=4 51931 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000070787_100011713725 [0,2,0,1,0,0|1,0,0]=4 51932 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000211478_200000210301 [0,2,0,1,0,0|1,0,0]=4 51933 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000070787_100000690320 [0,2,0,1,0,0|1,0,0]=4 51934 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000742516_200000210301 [0,2,0,1,0,0|1,0,0]=4 51935 B12R1.252 CC(=O)CCOC1CCCCC1 1458a_100000070787_100011211530 [0,2,0,1,0,0|0,0,1]=4 51936 B12R1.252 CC(=O)CCOC1CCCCC1 34a_100000759926_100000210327 [0,2,0,1,0,0|0,0,1]=4 51937 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000210231_100000053229 [0,2,0,1,0,0|0,0,1]=4 51938 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000759926_100000210327 [0,2,0,1,0,0|0,0,1]=4 51939 B12R1.252 CC(=O)CCOC1CCCCO1 1458a_100000070787_100000744793 [0,2,0,1,0,0|0,0,1]=4 51940 B12R1.252 CC(=O)CCOC1CCCOC1 34a_100000759926_100000693364 [0,2,0,1,0,0|0,0,1]=4 51941 B12R1.252 CC(=O)CCOC1CCCOC1 7a_100000759926_100000693364 [0,2,0,1,0,0|0,0,1]=4 51942 B12R1.252 CC(=O)CCOC1CCCSC1 7a_100015962668_100000053229 [0,2,0,1,0,0|0,0,1]=4 51943 B12R1.252 CC(=O)CCOC1CCOCC1 7a_100000759926_100000686592 [0,2,0,1,0,0|0,0,1]=4 51944 B12R1.252 CC(=O)CCOC1CCSCC1 34a_100000759926_100000069128 [0,2,0,1,0,0|0,0,1]=4 51945 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000731022_100000053229 [0,2,0,1,0,0|0,0,1]=4 51946 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000759926_100011500858 [0,2,0,1,0,0|0,0,1]=4 51947 B12R1.252 CC(=O)COCC1CCCCO1 1458a_100011223378_200000210301 [0,2,0,1,0,0|0,0,1]=4 51948 B12R1.252 CC(=O)COCC1CCCCO1 34a_100000211253_100000211543 [0,2,0,1,0,0|0,0,1]=4 51949 B12R1.252 CC(=O)NCCC1CCCCO1 11a_100015183643_100015343762 [0,2,0,1,0,0|0,0,1]=4 51950 B12R1.252 CC(=O)NCCC1CCCCO1 1626a_100015183643_100015343762 [0,2,0,1,0,0|0,0,1]=4 51951 B12R1.252 CC(=O)NCCC1CCCCO1 240690a_100015183643_100015343762 [0,2,0,1,0,0|0,0,1]=4 51952 B12R1.252 CC(=O)NCCC1CCCCO1 527a_100015183643_100103153847 [0,2,0,1,0,0|0,0,1]=4 51953 B12R1.252 CC(Br)CCOC1CCCCC1 34a_100009893172_100000210327 [0,2,0,1,0,0|0,0,0]=3 51954 B12R1.252 CC(Br)CCOC1CCCOC1 34a_100009893172_100000693364 [0,2,0,1,0,0|0,0,0]=3 51955 B12R1.252 CC(Br)CCOC1CCSCC1 34a_100009893172_100000069128 [0,2,0,1,0,0|0,0,0]=3 51956 B12R1.252 CC(Br)COCC1CCCCC1 34a_100012180447_100000211423 [0,2,0,1,0,0|1,0,0]=4 51957 B12R1.252 CC(Br)COCC1CCCCO1 34a_100012180447_100000211543 [0,2,0,1,0,0|0,0,0]=3 51958 B12R1.252 CC(C)CCCN1CCCOC1 2230a_100000131196_100011214892 [0,2,0,1,0,0|1,0,0]=4 51959 B12R1.252 CC(C)CCCN1CCCOC1 269982a_100000131196_100011214892 [0,2,0,1,0,0|1,0,0]=4 51960 B12R1.252 CC(C)CCCN1CCCOC1 34a_100000131196_100011214892 [0,2,0,1,0,0|1,0,0]=4 51961 B12R1.252 CC(C)CCCN1CCOCC1 2230a_100015191051_100011214892 [0,2,0,1,0,0|1,0,0]=4 51962 B12R1.252 CC(C)CCCN1CCOCC1 269982a_100015191051_100011214892 [0,2,0,1,0,0|1,0,0]=4 51963 B12R1.252 CC(C)CCCN1CCOCC1 34a_100015191051_100011214892 [0,2,0,1,0,0|1,0,0]=4 51964 B12R1.252 CC(C)CCCN1CCSCC1 2230a_100000737611_100011214892 [0,2,0,1,0,0|1,0,0]=4 51965 B12R1.252 CC(C)CCCN1CCSCC1 269982a_100000737611_100011214892 [0,2,0,1,0,0|1,0,0]=4 51966 B12R1.252 CC(C)CCNC1CCCCC1 2230a_100000182618_100000210312 [0,2,0,1,0,0|1,0,0]=4 51967 B12R1.252 CC(C)CCNC1CCCCC1 269862a_100000182618_100000185833 [0,2,0,1,0,0|1,0,0]=4 51968 B12R1.252 CC(C)CCNC1CCCCC1 270004a_100000210545_100000210434 [0,2,0,1,0,0|1,0,0]=4 51969 B12R1.252 CC(C)CCNC1CCCCC1 34a_100000182618_100000210312 [0,2,0,1,0,0|1,0,0]=4 51970 B12R1.252 CC(C)CCNC1CCCOC1 2230a_100000719290_100000210312 [0,2,0,1,0,0|1,0,0]=4 51971 B12R1.252 CC(C)CCNC1CCCOC1 269862a_100000719290_100000185833 [0,2,0,1,0,0|1,0,0]=4 51972 B12R1.252 CC(C)CCNC1CCCOC1 270004a_100000210545_100000753404 [0,2,0,1,0,0|1,0,0]=4 51973 B12R1.252 CC(C)CCNC1CCCOC1 34a_100000719290_100000210312 [0,2,0,1,0,0|1,0,0]=4 51974 B12R1.252 CC(C)CCNC1CCCSC1 270004a_100000210545_100000057913 [0,2,0,1,0,0|1,0,0]=4 51975 B12R1.252 CC(C)CCNC1CCNCC1 270004a_100000210545_100015192401 [0,2,0,1,0,0|1,0,0]=4 51976 B12R1.252 CC(C)CCNC1CCOCC1 2230a_100000741149_100000210312 [0,2,0,1,0,0|1,0,0]=4 51977 B12R1.252 CC(C)CCNC1CCOCC1 269862a_100000741149_100000185833 [0,2,0,1,0,0|1,0,0]=4 51978 B12R1.252 CC(C)CCNC1CCOCC1 270004a_100000210545_100011217826 [0,2,0,1,0,0|1,0,0]=4 51979 B12R1.252 CC(C)CCNC1CCOCC1 34a_100000741149_100000210312 [0,2,0,1,0,0|1,0,0]=4 51980 B12R1.252 CC(C)CCNC1CCSCC1 2230a_100000748639_100000210312 [0,2,0,1,0,0|1,0,0]=4 51981 B12R1.252 CC(C)CCNC1CCSCC1 269862a_100000748639_100000185833 [0,2,0,1,0,0|1,0,0]=4 51982 B12R1.252 CC(C)CCNC1CCSCC1 270004a_100000210545_100000203788 [0,2,0,1,0,0|1,0,0]=4 51983 B12R1.252 CC(C)CCNC1CCSCC1 34a_100000748639_100000210312 [0,2,0,1,0,0|1,0,0]=4 51984 B12R1.252 CC(C)CCOC1C=CCCC1 34a_100011215024_100000210312 [0,2,0,1,0,0|0,0,1]=4 51985 B12R1.252 CC(C)CCOC1C=CCCC1 7a_100000210254_100000751183 [0,2,0,1,0,0|0,0,1]=4 51986 B12R1.252 CC(C)CCOC1CC=CCC1 34a_100000073881_100000210312 [0,2,0,1,0,0|0,0,1]=4 51987 B12R1.252 CC(C)CCOC1CCCCC1 34a_100000210231_100000210312 [0,2,0,1,0,0|0,0,0]=3 51988 B12R1.252 CC(C)CCOC1CCCCC1 34a_100000210254_100000210327 [0,2,0,1,0,0|0,0,0]=3 51989 B12R1.252 CC(C)CCOC1CCCCC1 7a_100000210231_100000210626 [0,2,0,1,0,0|0,0,0]=3 51990 B12R1.252 CC(C)CCOC1CCCCC1 7a_100000210254_100000210327 [0,2,0,1,0,0|0,0,0]=3 51991 B12R1.252 CC(C)CCOC1CCCCO1 34a_100000033831_100000210312 [0,2,0,1,0,0|0,0,0]=3 51992 B12R1.252 CC(C)CCOC1CCCOC1 34a_100000210254_100000693364 [0,2,0,1,0,0|0,0,0]=3 51993 B12R1.252 CC(C)CCOC1CCCOC1 34a_100000754041_100000210312 [0,2,0,1,0,0|0,0,0]=3 51994 B12R1.252 CC(C)CCOC1CCCOC1 7a_100000210254_100000693364 [0,2,0,1,0,0|0,0,0]=3 51995 B12R1.252 CC(C)CCOC1CCCSC1 7a_100015962668_100000210626 [0,2,0,1,0,0|0,0,0]=3 51996 B12R1.252 CC(C)CCOC1CCOCC1 34a_100000744328_100000210312 [0,2,0,1,0,0|0,0,0]=3 51997 B12R1.252 CC(C)CCOC1CCOCC1 7a_100000210254_100000686592 [0,2,0,1,0,0|0,0,0]=3 51998 B12R1.252 CC(C)CCOC1CCSCC1 34a_100000210254_100000069128 [0,2,0,1,0,0|0,0,0]=3 51999 B12R1.252 CC(C)CCOC1CCSCC1 34a_100000731022_100000210312 [0,2,0,1,0,0|0,0,0]=3 52000 B12R1.252 CC(C)CCOC1CCSCC1 7a_100000210254_100011500858 [0,2,0,1,0,0|0,0,0]=3 52001 B12R1.252 CC(C)CCOC1CCSCC1 7a_100000731022_100000210626 [0,2,0,1,0,0|0,0,0]=3 52002 B12R1.252 CC(C)CCSC1CCCCC1 62a_100000210312_100000210327 [0,2,0,1,0,0|0,1,0]=4 52003 B12R1.252 CC(C)CCSC1CCCCC1 62a_100000210327_100000210312 [0,2,0,1,0,0|0,1,0]=4 52004 B12R1.252 CC(C)CCSC1CCCOC1 62a_100000210312_100000693364 [0,2,0,1,0,0|0,1,0]=4 52005 B12R1.252 CC(C)CCSC1CCOCC1 62a_100000210312_100011324220 [0,2,0,1,0,0|0,1,0]=4 52006 B12R1.252 CC(C)CCSC1CCSCC1 62a_100000210312_100000069128 [0,2,0,1,0,0|0,1,0]=4 52007 B12R1.252 CC(C)CNCC1CCCCC1 2230a_100000210473_100000210760 [0,2,0,1,0,0|1,0,0]=4 52008 B12R1.252 CC(C)CNCC1CCCCC1 2230a_100000210953_100000211423 [0,2,0,1,0,0|1,0,0]=4 52009 B12R1.252 CC(C)CNCC1CCCCC1 269862a_100000210953_100000211278 [0,2,0,1,0,0|1,0,0]=4 52010 B12R1.252 CC(C)CNCC1CCCCC1 270004a_100000210473_100000210432 [0,2,0,1,0,0|1,0,0]=4 52011 B12R1.252 CC(C)CNCC1CCCCC1 34a_100000210473_100000210624 [0,2,0,1,0,0|1,0,0]=4 52012 B12R1.252 CC(C)CNCC1CCCCC1 34a_100000210953_100000211423 [0,2,0,1,0,0|1,0,0]=4 52013 B12R1.252 CC(C)CNCC1CCCCO1 2230a_100000174945_100000210760 [0,2,0,1,0,0|0,0,0]=3 52014 B12R1.252 CC(C)CNCC1CCCCO1 2230a_100000210953_100000211543 [0,2,0,1,0,0|0,0,0]=3 52015 B12R1.252 CC(C)CNCC1CCCCO1 270004a_100000174945_100000210432 [0,2,0,1,0,0|0,0,0]=3 52016 B12R1.252 CC(C)CNCC1CCCCO1 34a_100000174945_100000210624 [0,2,0,1,0,0|0,0,0]=3 52017 B12R1.252 CC(C)CNCC1CCCCO1 34a_100000210953_100000211543 [0,2,0,1,0,0|0,0,0]=3 52018 B12R1.252 CC(C)CNC[C@H]1COCCO1 2230a_100010981119_100000210760 [0,2,0,1,0,0|1,0,0]=4 52019 B12R1.252 CC(C)CNC[C@H]1COCCO1 270004a_100010981119_100000210432 [0,2,0,1,0,0|1,0,0]=4 52020 B12R1.252 CC(C)CNC[C@H]1COCCO1 34a_100010981119_100000210624 [0,2,0,1,0,0|1,0,0]=4 52021 B12R1.252 CC(C)COCC1CCCCC1 34a_100000210257_100000211423 [0,2,0,1,0,0|1,0,0]=4 52022 B12R1.252 CC(C)COCC1CCCCC1 34a_100000212181_100000210624 [0,2,0,1,0,0|1,0,0]=4 52023 B12R1.252 CC(C)COCC1CCCCC1 7a_100000212181_100000210760 [0,2,0,1,0,0|1,0,0]=4 52024 B12R1.252 CC(C)COCC1CCCCN1 34a_100000210821_100000210624 [0,2,0,1,0,0|1,0,0]=4 52025 B12R1.252 CC(C)COCC1CCCCO1 34a_100000210257_100000211543 [0,2,0,1,0,0|0,0,0]=3 52026 B12R1.252 CC(C)COCC1CCCCO1 34a_100000211370_100000210624 [0,2,0,1,0,0|0,0,0]=3 52027 B12R1.252 CC(C)COCC1CCCCO1 7a_100000211370_100000210760 [0,2,0,1,0,0|0,0,0]=3 52028 B12R1.252 CC(C)COC[C@@H]1CNCCO1 34a_100015189573_100000210624 [0,2,0,1,0,0|1,0,0]=4 52029 B12R1.252 CC(C)COC[C@H]1COCCO1 34a_100009875890_100000210624 [0,2,0,1,0,0|1,0,0]=4 52030 B12R1.252 CC(C)CSCC1CCCCC1 62a_100000210624_100000211423 [0,2,0,1,0,0|1,0,0]=4 52031 B12R1.252 CC(C)CSCC1CCCCC1 62a_100000211423_100000210760 [0,2,0,1,0,0|1,0,0]=4 52032 B12R1.252 CC(C)CSCC1CCCCO1 62a_100000210624_100000211543 [0,2,0,1,0,0|0,0,0]=3 52033 B12R1.252 CC(C)CSCC1CCCCO1 62a_100000211543_100000210760 [0,2,0,1,0,0|0,0,0]=3 52034 B12R1.252 CC(C)NCCC1CCCCC1 2230a_100000738074_100000210206 [0,2,0,1,0,0|1,0,0]=4 52035 B12R1.252 CC(C)NCCC1CCCCC1 2230a_100138425928_100012355289 [0,2,0,1,0,0|1,0,0]=4 52036 B12R1.252 CC(C)NCCC1CCCCC1 34a_100000738074_100000210206 [0,2,0,1,0,0|1,0,0]=4 52037 B12R1.252 CC(C)NCCC1CCCCC1 34a_100138425928_100011209188 [0,2,0,1,0,0|1,0,0]=4 52038 B12R1.252 CC(C)NCCC1CCCCO1 2230a_100015183643_100000210206 [0,2,0,1,0,0|0,0,0]=3 52039 B12R1.252 CC(C)NCCC1CCCCO1 34a_100015183643_100000210206 [0,2,0,1,0,0|0,0,0]=3 52040 B12R1.252 CC(C)NCCC1OCCCO1 2230a_100138425928_100000764188 [0,2,0,1,0,0|1,0,0]=4 52041 B12R1.252 CC(C)NCCC1OCCCO1 34a_100138425928_100000764188 [0,2,0,1,0,0|1,0,0]=4 52042 B12R1.252 CC(C)NCCN1CCCCC1 2230a_100138425928_100000739454 [0,2,0,1,0,0|1,0,0]=4 52043 B12R1.252 CC(C)NCCN1CCCCC1 34a_100138425928_100000739454 [0,2,0,1,0,0|1,0,0]=4 52044 B12R1.252 CC(C)NCOC1CCCCC1 2230a_100138425928_100011935260 [0,2,0,1,0,0|1,0,0]=4 52045 B12R1.252 CC(C)NCOC1CCCCC1 34a_100138425928_100011935260 [0,2,0,1,0,0|1,0,0]=4 52046 B12R1.252 CC(C)OCCC1CCCCC1 34a_100000212225_100011209188 [0,2,0,1,0,0|1,0,0]=4 52047 B12R1.252 CC(C)OCCC1CCCCC1 34a_100011217863_100000210206 [0,2,0,1,0,0|1,0,0]=4 52048 B12R1.252 CC(C)OCCC1CCCCC1 7a_100011217863_100000210206 [0,2,0,1,0,0|1,0,0]=4 52049 B12R1.252 CC(C)OCCC1CCCCN1 34a_100000211664_100000210206 [0,2,0,1,0,0|1,0,0]=4 52050 B12R1.252 CC(C)OCCC1OCCCO1 34a_100000212225_100000764188 [0,2,0,1,0,0|1,0,0]=4 52051 B12R1.252 CC(C)OCCN1CCCCC1 34a_100000212225_100000739454 [0,2,0,1,0,0|1,0,0]=4 52052 B12R1.252 CC(C)OCOC1CCCCC1 34a_100000210231_100000709892 [0,2,0,1,0,0|1,0,0]=4 52053 B12R1.252 CC(C)OCOC1CCCCC1 34a_100000212225_100011935260 [0,2,0,1,0,0|1,0,0]=4 52054 B12R1.252 CC(C)OCOC1CCCCO1 34a_100000033831_100000709892 [0,2,0,1,0,0|1,0,0]=4 52055 B12R1.252 CC(C)OCOC1CCCOC1 34a_100000754041_100000709892 [0,2,0,1,0,0|1,0,0]=4 52056 B12R1.252 CC(C)OCOC1CCOCC1 34a_100000744328_100000709892 [0,2,0,1,0,0|1,0,0]=4 52057 B12R1.252 CC(C)OCOC1CCSCC1 34a_100000731022_100000709892 [0,2,0,1,0,0|1,0,0]=4 52058 B12R1.252 CC(C)SCCC1CCCCC1 62a_100000210206_100012355289 [0,2,0,1,0,0|1,0,0]=4 52059 B12R1.252 CC(C)SCCC1CCCCC1 62a_100012355289_100000210206 [0,2,0,1,0,0|1,0,0]=4 52060 B12R1.252 CC(C)SCCC1OCCCO1 62a_100000210206_100000764188 [0,2,0,1,0,0|1,0,0]=4 52061 B12R1.252 CC(C)SCCC1OCCCO1 62a_100000764188_100000210206 [0,2,0,1,0,0|1,0,0]=4 52062 B12R1.252 CC(C)SCCN1CCCCC1 62a_100000210206_100000739454 [0,2,0,1,0,0|1,0,0]=4 52063 B12R1.252 CC(C)SCCN1CCCCC1 62a_100000739454_100000210206 [0,2,0,1,0,0|1,0,0]=4 52064 B12R1.252 CC(C)SCOC1CCCCC1 62a_100000210206_100011935260 [0,2,0,1,0,0|1,0,0]=4 52065 B12R1.252 CC(C)SCOC1CCCCC1 62a_100011935260_100000210206 [0,2,0,1,0,0|1,0,0]=4 52066 B12R1.252 CC(F)COCC1CCCCC1 34a_100015925927_100000211423 [0,2,0,1,0,0|1,0,0]=4 52067 B12R1.252 CC(F)COCC1CCCCO1 34a_100015925927_100000211543 [0,2,0,1,0,0|0,0,0]=3 52068 B12R1.252 CC(O)CCCN1CCCOC1 2230a_100000131196_200000718107 [0,2,0,1,0,0|1,0,0]=4 52069 B12R1.252 CC(O)CCCN1CCCOC1 269982a_100000131196_200000718107 [0,2,0,1,0,0|1,0,0]=4 52070 B12R1.252 CC(O)CCCN1CCCOC1 34a_100000131196_200000718107 [0,2,0,1,0,0|1,0,0]=4 52071 B12R1.252 CC(O)CCCN1CCOCC1 2230a_100015191051_200000718107 [0,2,0,1,0,0|1,0,0]=4 52072 B12R1.252 CC(O)CCCN1CCOCC1 269982a_100015191051_200000718107 [0,2,0,1,0,0|1,0,0]=4 52073 B12R1.252 CC(O)CCCN1CCOCC1 34a_100015191051_200000718107 [0,2,0,1,0,0|1,0,0]=4 52074 B12R1.252 CC(O)CCCN1CCSCC1 2230a_100000737611_200000718107 [0,2,0,1,0,0|1,0,0]=4 52075 B12R1.252 CC(O)CCCN1CCSCC1 269982a_100000737611_200000718107 [0,2,0,1,0,0|1,0,0]=4 52076 B12R1.252 CC(O)CCNC1CCCCC1 2230a_100000182618_100012276601 [0,2,0,1,0,0|1,0,0]=4 52077 B12R1.252 CC(O)CCNC1CCCCC1 270004a_200000755665_100000210434 [0,2,0,1,0,0|1,0,0]=4 52078 B12R1.252 CC(O)CCNC1CCCCC1 34a_100000182618_100012276601 [0,2,0,1,0,0|1,0,0]=4 52079 B12R1.252 CC(O)CCNC1CCCOC1 2230a_100000719290_100012276601 [0,2,0,1,0,0|1,0,0]=4 52080 B12R1.252 CC(O)CCNC1CCCOC1 270004a_200000755665_100000753404 [0,2,0,1,0,0|1,0,0]=4 52081 B12R1.252 CC(O)CCNC1CCCOC1 34a_100000719290_100012276601 [0,2,0,1,0,0|1,0,0]=4 52082 B12R1.252 CC(O)CCNC1CCCSC1 270004a_200000755665_100000057913 [0,2,0,1,0,0|1,0,0]=4 52083 B12R1.252 CC(O)CCNC1CCNCC1 270004a_200000755665_100015192401 [0,2,0,1,0,0|1,0,0]=4 52084 B12R1.252 CC(O)CCNC1CCOCC1 2230a_100000741149_100012276601 [0,2,0,1,0,0|1,0,0]=4 52085 B12R1.252 CC(O)CCNC1CCOCC1 270004a_200000755665_100011217826 [0,2,0,1,0,0|1,0,0]=4 52086 B12R1.252 CC(O)CCNC1CCOCC1 34a_100000741149_100012276601 [0,2,0,1,0,0|1,0,0]=4 52087 B12R1.252 CC(O)CCNC1CCSCC1 2230a_100000748639_100012276601 [0,2,0,1,0,0|1,0,0]=4 52088 B12R1.252 CC(O)CCNC1CCSCC1 270004a_200000755665_100000203788 [0,2,0,1,0,0|1,0,0]=4 52089 B12R1.252 CC(O)CCNC1CCSCC1 34a_100000748639_100012276601 [0,2,0,1,0,0|1,0,0]=4 52090 B12R1.252 CC(O)CCOC1C=CCCC1 34a_100011215024_100012276601 [0,2,0,1,0,0|0,0,1]=4 52091 B12R1.252 CC(O)CCOC1CC=CCC1 34a_100000073881_100012276601 [0,2,0,1,0,0|0,0,1]=4 52092 B12R1.252 CC(O)CCOC1CCCCC1 34a_100000210231_100012276601 [0,2,0,1,0,0|0,0,0]=3 52093 B12R1.252 CC(O)CCOC1CCCCC1 7a_100000210231_100012276601 [0,2,0,1,0,0|0,0,0]=3 52094 B12R1.252 CC(O)CCOC1CCCCO1 34a_100000033831_100012276601 [0,2,0,1,0,0|0,0,0]=3 52095 B12R1.252 CC(O)CCOC1CCCOC1 34a_100000754041_100012276601 [0,2,0,1,0,0|0,0,0]=3 52096 B12R1.252 CC(O)CCOC1CCCSC1 7a_100015962668_100012276601 [0,2,0,1,0,0|0,0,0]=3 52097 B12R1.252 CC(O)CCOC1CCOCC1 34a_100000744328_100012276601 [0,2,0,1,0,0|0,0,0]=3 52098 B12R1.252 CC(O)CCOC1CCSCC1 34a_100000731022_100012276601 [0,2,0,1,0,0|0,0,0]=3 52099 B12R1.252 CC(O)CCOC1CCSCC1 7a_100000731022_100012276601 [0,2,0,1,0,0|0,0,0]=3 52100 B12R1.252 CC(O)CCSC1CCCCC1 62a_100000210327_100012276601 [0,2,0,1,0,0|0,1,0]=4 52101 B12R1.252 CC(O)CCSC1CCCCC1 62a_100012276601_100000210327 [0,2,0,1,0,0|0,1,0]=4 52102 B12R1.252 CC(O)CCSC1CCCOC1 62a_100012276601_100000693364 [0,2,0,1,0,0|0,1,0]=4 52103 B12R1.252 CC(O)CCSC1CCOCC1 62a_100012276601_100011324220 [0,2,0,1,0,0|0,1,0]=4 52104 B12R1.252 CC(O)CCSC1CCSCC1 62a_100012276601_100000069128 [0,2,0,1,0,0|0,1,0]=4 52105 B12R1.252 CC(O)CNCC1CCCCC1 2230a_100000210473_100011218427 [0,2,0,1,0,0|1,0,0]=4 52106 B12R1.252 CC(O)CNCC1CCCCC1 2230a_100000210904_100000211423 [0,2,0,1,0,0|1,0,0]=4 52107 B12R1.252 CC(O)CNCC1CCCCC1 269862a_100000210904_100000211278 [0,2,0,1,0,0|1,0,0]=4 52108 B12R1.252 CC(O)CNCC1CCCCC1 34a_100000210473_100011218427 [0,2,0,1,0,0|1,0,0]=4 52109 B12R1.252 CC(O)CNCC1CCCCC1 34a_100000210904_100000211423 [0,2,0,1,0,0|1,0,0]=4 52110 B12R1.252 CC(O)CNCC1CCCCO1 2230a_100000174945_100011218427 [0,2,0,1,0,0|0,0,0]=3 52111 B12R1.252 CC(O)CNCC1CCCCO1 2230a_100000210904_100000211543 [0,2,0,1,0,0|0,0,0]=3 52112 B12R1.252 CC(O)CNCC1CCCCO1 34a_100000174945_100011218427 [0,2,0,1,0,0|0,0,0]=3 52113 B12R1.252 CC(O)CNCC1CCCCO1 34a_100000210904_100000211543 [0,2,0,1,0,0|0,0,0]=3 52114 B12R1.252 CC(O)CNC[C@H]1COCCO1 2230a_100010981119_100011218427 [0,2,0,1,0,0|1,0,0]=4 52115 B12R1.252 CC(O)CNC[C@H]1COCCO1 34a_100010981119_100011218427 [0,2,0,1,0,0|1,0,0]=4 52116 B12R1.252 CC(O)COCC1CCCCC1 34a_100000212181_100011218427 [0,2,0,1,0,0|1,0,0]=4 52117 B12R1.252 CC(O)COCC1CCCCC1 7a_100000212181_100011218427 [0,2,0,1,0,0|1,0,0]=4 52118 B12R1.252 CC(O)COCC1CCCCN1 34a_100000210821_100011218427 [0,2,0,1,0,0|1,0,0]=4 52119 B12R1.252 CC(O)COCC1CCCCO1 34a_100000211370_100011218427 [0,2,0,1,0,0|0,0,0]=3 52120 B12R1.252 CC(O)COCC1CCCCO1 7a_100000211370_100011218427 [0,2,0,1,0,0|0,0,0]=3 52121 B12R1.252 CC(O)COC[C@@H]1CNCCO1 34a_100015189573_100011218427 [0,2,0,1,0,0|1,0,0]=4 52122 B12R1.252 CC(O)COC[C@H]1COCCO1 34a_100009875890_100011218427 [0,2,0,1,0,0|1,0,0]=4 52123 B12R1.252 CC(O)CSCC1CCCCC1 62a_100000211423_100011218427 [0,2,0,1,0,0|1,0,0]=4 52124 B12R1.252 CC(O)CSCC1CCCCC1 62a_100011218427_100000211423 [0,2,0,1,0,0|1,0,0]=4 52125 B12R1.252 CC(O)CSCC1CCCCO1 62a_100000211543_100011218427 [0,2,0,1,0,0|0,0,0]=3 52126 B12R1.252 CC(O)CSCC1CCCCO1 62a_100011218427_100000211543 [0,2,0,1,0,0|0,0,0]=3 52127 B12R1.252 CN(C)CCCC1CCCCC1 2230a_100102631434_100011713725 [0,2,0,1,0,0|1,0,0]=4 52128 B12R1.252 CN(C)CCCC1CCCCC1 269982a_100102631434_100011713725 [0,2,0,1,0,0|1,0,0]=4 52129 B12R1.252 CN(C)CCCN1CCCCC1 2230a_100102631434_100000690320 [0,2,0,1,0,0|1,0,0]=4 52130 B12R1.252 CN(C)CCCN1CCCCC1 269982a_100102631434_100000690320 [0,2,0,1,0,0|1,0,0]=4 52131 B12R1.252 CN(C)CCOC1CCCCC1 2230a_100102631434_100011211530 [0,2,0,1,0,0|1,0,0]=4 52132 B12R1.252 CN(C)CCOC1CCCCC1 269982a_100102631434_100011211530 [0,2,0,1,0,0|1,0,0]=4 52133 B12R1.252 CN(C)CCOC1CCCCC1 7a_100000210231_100000755713 [0,2,0,1,0,0|1,0,0]=4 52134 B12R1.252 CN(C)CCOC1CCCCO1 2230a_100102631434_100000744793 [0,2,0,1,0,0|1,0,0]=4 52135 B12R1.252 CN(C)CCOC1CCCCO1 269982a_100102631434_100000744793 [0,2,0,1,0,0|1,0,0]=4 52136 B12R1.252 CN(C)CCOC1CCCSC1 7a_100015962668_100000755713 [0,2,0,1,0,0|1,0,0]=4 52137 B12R1.252 CN(C)CCOC1CCSCC1 7a_100000731022_100000755713 [0,2,0,1,0,0|1,0,0]=4 52138 B12R1.252 C[C@@H](Cl)COCC1CCCCC1 34a_100016084084_100000211423 [0,2,0,1,0,0|1,0,0]=4 52139 B12R1.252 C[C@@H](Cl)COCC1CCCCO1 34a_100016084084_100000211543 [0,2,0,1,0,0|0,0,0]=3 52140 B12R1.252 C[C@@H](N)CCOC1CCCCC1 34a_100000706166_100000210327 [0,2,0,1,0,0|0,0,0]=3 52141 B12R1.252 C[C@@H](N)CCOC1CCCOC1 34a_100000706166_100000693364 [0,2,0,1,0,0|0,0,0]=3 52142 B12R1.252 C[C@@H](N)CCOC1CCSCC1 34a_100000706166_100000069128 [0,2,0,1,0,0|0,0,0]=3 52143 B12R1.252 C[C@@H](N)COCC1CCCCC1 34a_100000737577_100000211423 [0,2,0,1,0,0|1,0,0]=4 52144 B12R1.252 C[C@@H](N)COCC1CCCCO1 34a_100000737577_100000211543 [0,2,0,1,0,0|0,0,0]=3 52145 B12R1.252 C[C@@H](O)CNCC1CCCCC1 2230a_100000210473_100009817552 [0,2,0,1,0,0|1,0,0]=4 52146 B12R1.252 C[C@@H](O)CNCC1CCCCC1 34a_100000210473_100009817552 [0,2,0,1,0,0|1,0,0]=4 52147 B12R1.252 C[C@@H](O)CNCC1CCCCO1 2230a_100000174945_100009817552 [0,2,0,1,0,0|0,0,0]=3 52148 B12R1.252 C[C@@H](O)CNCC1CCCCO1 34a_100000174945_100009817552 [0,2,0,1,0,0|0,0,0]=3 52149 B12R1.252 C[C@@H](O)CNC[C@H]1COCCO1 2230a_100010981119_100009817552 [0,2,0,1,0,0|1,0,0]=4 52150 B12R1.252 C[C@@H](O)CNC[C@H]1COCCO1 34a_100010981119_100009817552 [0,2,0,1,0,0|1,0,0]=4 52151 B12R1.252 C[C@@H](O)COCC1CCCCC1 34a_100000212181_100009817552 [0,2,0,1,0,0|1,0,0]=4 52152 B12R1.252 C[C@@H](O)COCC1CCCCC1 7a_100000212181_100009817552 [0,2,0,1,0,0|1,0,0]=4 52153 B12R1.252 C[C@@H](O)COCC1CCCCN1 34a_100000210821_100009817552 [0,2,0,1,0,0|1,0,0]=4 52154 B12R1.252 C[C@@H](O)COCC1CCCCO1 34a_100000211370_100009817552 [0,2,0,1,0,0|0,0,0]=3 52155 B12R1.252 C[C@@H](O)COCC1CCCCO1 7a_100000211370_100009817552 [0,2,0,1,0,0|0,0,0]=3 52156 B12R1.252 C[C@@H](O)COC[C@@H]1CNCCO1 34a_100015189573_100009817552 [0,2,0,1,0,0|1,0,0]=4 52157 B12R1.252 C[C@@H](O)COC[C@H]1COCCO1 34a_100009875890_100009817552 [0,2,0,1,0,0|1,0,0]=4 52158 B12R1.252 C[C@@H](O)CSCC1CCCCC1 62a_100000211423_100009817552 [0,2,0,1,0,0|1,0,0]=4 52159 B12R1.252 C[C@@H](O)CSCC1CCCCC1 62a_100009817552_100000211423 [0,2,0,1,0,0|1,0,0]=4 52160 B12R1.252 C[C@@H](O)CSCC1CCCCO1 62a_100000211543_100009817552 [0,2,0,1,0,0|0,0,0]=3 52161 B12R1.252 C[C@@H](O)CSCC1CCCCO1 62a_100009817552_100000211543 [0,2,0,1,0,0|0,0,0]=3 52162 B12R1.252 FC(F)CCOC1CCCCC1 34a_100103093639_100000210327 [0,2,0,1,0,0|1,0,0]=4 52163 B12R1.252 FC(F)CCOC1CCCOC1 34a_100103093639_100000693364 [0,2,0,1,0,0|1,0,0]=4 52164 B12R1.252 FC(F)CCOC1CCSCC1 34a_100103093639_100000069128 [0,2,0,1,0,0|1,0,0]=4 52165 B12R1.252 FC(F)CNCC1CCCCO1 2230a_100000174945_100011934356 [0,2,0,1,0,0|1,0,0]=4 52166 B12R1.252 FC(F)CNCC1CCCCO1 34a_100000174945_100011934356 [0,2,0,1,0,0|1,0,0]=4 52167 B12R1.252 FC(F)CNCC1CCCCO1 34a_100000765723_100000211543 [0,2,0,1,0,0|1,0,0]=4 52168 B12R1.252 FC(F)COCC1CCCCO1 34a_100000211370_100011934356 [0,2,0,1,0,0|1,0,0]=4 52169 B12R1.252 FC(F)COCC1CCCCO1 34a_100000743014_100000211543 [0,2,0,1,0,0|1,0,0]=4 52170 B12R1.252 FC(F)COCC1CCCCO1 7a_100000211370_100011934356 [0,2,0,1,0,0|1,0,0]=4 52171 B12R1.252 FC(F)CSCC1CCCCO1 62a_100000211543_100011934356 [0,2,0,1,0,0|1,0,0]=4 52172 B12R1.252 FC(F)CSCC1CCCCO1 62a_100011934356_100000211543 [0,2,0,1,0,0|1,0,0]=4 52173 B12R1.252 [13CH3]C(=O)CCCC1CCCCC1 1458a_100000211478_200025704644 [0,2,0,1,0,0|1,0,0]=4 52174 B12R1.252 [13CH3]C(=O)CCCN1CCCCC1 1458a_100000742516_200025704644 [0,2,0,1,0,0|1,0,0]=4 52175 B12R1.252 [13CH3]C(=O)COCC1CCCCO1 1458a_100011223378_200025704644 [0,2,0,1,0,0|0,0,1]=4 52176 B12R1.895 CC(C)CCN1C(CCC1C)C 2230a_100000687148_100000210312 [0,2,0,1,0,0|1,0,0]=4 52177 B12R1.895 CC(C)CCN1C(CCC1C)C 269982a_100000687148_100000210312 [0,2,0,1,0,0|1,0,0]=4 52178 B12R1.895 CC(C)CCN1C(CCC1C)C 34a_100000687148_100000210312 [0,2,0,1,0,0|1,0,0]=4 52179 B12R1.895 CC(O)CCN1C(CCC1C)C 2230a_100000687148_100012276601 [0,2,0,1,0,0|1,0,0]=4 52180 B12R1.895 CC(O)CCN1C(CCC1C)C 269982a_100000687148_100012276601 [0,2,0,1,0,0|1,0,0]=4 52181 B12R1.895 CC(O)CCN1C(CCC1C)C 34a_100000687148_100012276601 [0,2,0,1,0,0|1,0,0]=4 52182 B12R1.1238 CC(C)CCCC(=O)C1CC1C 1458a_100000211227_100011214892 [0,2,0,1,0,0|1,0,0]=4 52183 B12R1.1238 CC(O)CCCC(=O)C1CC1C 1458a_100000211227_200000718107 [0,2,0,1,0,0|1,0,0]=4 52184 B12R1.1357 C=C(C)CCOC(C)C1CCC1 34a_100000766398_100000730704 [0,2,0,1,0,0|0,0,1]=4 52185 B12R1.1357 C=C(C)CCOC(C)C1CCC1 7a_100000766398_100000730704 [0,2,0,1,0,0|0,0,1]=4 52186 B12R1.1357 CC(=O)CCOC(C)C1CCC1 7a_100000766398_100000053229 [0,2,0,1,0,0|0,0,1]=4 52187 B12R1.1357 CC(C)CCCC(=O)C1CCC1 1458a_100000209988_100011214892 [0,2,0,1,0,0|1,0,0]=4 52188 B12R1.1357 CC(C)CCCC(=O)C1CCC1 1458a_100011216857_100000749161 [0,2,0,1,0,0|1,0,0]=4 52189 B12R1.1357 CC(C)CCCN(C)C1CCC1 2230a_100000758072_100011214892 [0,2,0,1,0,0|1,0,0]=4 52190 B12R1.1357 CC(C)CCCN(C)C1CCC1 269982a_100000758072_100011214892 [0,2,0,1,0,0|1,0,0]=4 52191 B12R1.1357 CC(C)CCCN(C)C1CCC1 34a_100000758072_100011214892 [0,2,0,1,0,0|1,0,0]=4 52192 B12R1.1357 CC(C)CCNC(C)C1CCC1 2230a_100016994624_100000210312 [0,2,0,1,0,0|1,0,0]=4 52193 B12R1.1357 CC(C)CCNC(C)C1CCC1 269862a_100000210545_100000760154 [0,2,0,1,0,0|1,0,0]=4 52194 B12R1.1357 CC(C)CCNC(C)C1CCC1 269862a_100016994624_100000185833 [0,2,0,1,0,0|1,0,0]=4 52195 B12R1.1357 CC(C)CCNC(C)C1CCC1 34a_100016994624_100000210312 [0,2,0,1,0,0|1,0,0]=4 52196 B12R1.1357 CC(C)CCOC(C)C1CCC1 34a_100000766398_100000210312 [0,2,0,1,0,0|0,0,0]=3 52197 B12R1.1357 CC(C)CCOC(C)C1CCC1 7a_100000766398_100000210626 [0,2,0,1,0,0|0,0,0]=3 52198 B12R1.1357 CC(C)OCOC(C)C1CCC1 34a_100000766398_100000709892 [0,2,0,1,0,0|1,0,0]=4 52199 B12R1.1357 CC(O)CCCC(=O)C1CCC1 1458a_100000209988_200000718107 [0,2,0,1,0,0|1,0,0]=4 52200 B12R1.1357 CC(O)CCCN(C)C1CCC1 2230a_100000758072_200000718107 [0,2,0,1,0,0|1,0,0]=4 52201 B12R1.1357 CC(O)CCCN(C)C1CCC1 269982a_100000758072_200000718107 [0,2,0,1,0,0|1,0,0]=4 52202 B12R1.1357 CC(O)CCCN(C)C1CCC1 34a_100000758072_200000718107 [0,2,0,1,0,0|1,0,0]=4 52203 B12R1.1357 CC(O)CCNC(C)C1CCC1 2230a_100016994624_100012276601 [0,2,0,1,0,0|1,0,0]=4 52204 B12R1.1357 CC(O)CCNC(C)C1CCC1 269862a_200000755665_100000760154 [0,2,0,1,0,0|1,0,0]=4 52205 B12R1.1357 CC(O)CCNC(C)C1CCC1 34a_100016994624_100012276601 [0,2,0,1,0,0|1,0,0]=4 52206 B12R1.1357 CC(O)CCOC(C)C1CCC1 34a_100000766398_100012276601 [0,2,0,1,0,0|0,0,0]=3 52207 B12R1.1357 CC(O)CCOC(C)C1CCC1 7a_100000766398_100012276601 [0,2,0,1,0,0|0,0,0]=3 52208 B12R1.1357 CC(OCCN(C)C)C1CCC1 7a_100000766398_100000755713 [0,2,0,1,0,0|1,0,0]=4 52209 B12R1.1359 CC(C)CCCC(=O)CC1CC1 1458a_100000738066_100011214892 [0,2,0,1,0,0|1,0,0]=4 52210 B12R1.1359 CC(C)CCCC(=O)CC1CC1 1458a_100011216857_100000742324 [0,2,0,1,0,0|1,0,0]=4 52211 B12R1.1359 CC(C)CCCN(C)CC1CC1 2230a_100000741881_100011214892 [0,2,0,1,0,0|1,0,0]=4 52212 B12R1.1359 CC(C)CCCN(C)CC1CC1 269982a_100000741881_100011214892 [0,2,0,1,0,0|1,0,0]=4 52213 B12R1.1359 CC(C)CCNC(C)CC1CC1 270004a_100000210545_200000686933 [0,2,0,1,0,0|1,0,0]=4 52214 B12R1.1359 CC(O)CCCC(=O)CC1CC1 1458a_100000738066_200000718107 [0,2,0,1,0,0|1,0,0]=4 52215 B12R1.1359 CC(O)CCCN(C)CC1CC1 2230a_100000741881_200000718107 [0,2,0,1,0,0|1,0,0]=4 52216 B12R1.1359 CC(O)CCCN(C)CC1CC1 269982a_100000741881_200000718107 [0,2,0,1,0,0|1,0,0]=4 52217 B12R1.1359 CC(O)CCNC(C)CC1CC1 270004a_200000755665_200000686933 [0,2,0,1,0,0|1,0,0]=4 52218 B12R1.1809 C=C(C)CCOC1(CCCC1)C 34a_100000751722_100000730704 [0,2,0,1,0,0|0,0,1]=4 52219 B12R1.1809 C=C(C)CCOC1(CCCC1)C 7a_100000751722_100000730704 [0,2,0,1,0,0|0,0,1]=4 52220 B12R1.1809 CC(=O)CCOC1(CCCC1)C 7a_100000751722_100000053229 [0,2,0,1,0,0|0,0,1]=4 52221 B12R1.1809 CC(C)CCOC1(CCCC1)C 34a_100000751722_100000210312 [0,2,0,1,0,0|0,0,0]=3 52222 B12R1.1809 CC(C)CCOC1(CCCC1)C 7a_100000751722_100000210626 [0,2,0,1,0,0|0,0,0]=3 52223 B12R1.1809 CC(C)OCOC1(CCCC1)C 34a_100000751722_100000709892 [0,2,0,1,0,0|1,0,0]=4 52224 B12R1.1809 CC(O)CCOC1(CCCC1)C 34a_100000751722_100012276601 [0,2,0,1,0,0|0,0,0]=3 52225 B12R1.1809 CC(O)CCOC1(CCCC1)C 7a_100000751722_100012276601 [0,2,0,1,0,0|0,0,0]=3 52226 B12R1.1809 CN(C)CCOC1(CCCC1)C 7a_100000751722_100000755713 [0,2,0,1,0,0|1,0,0]=4 52227 B12R1.75 C=C(C)CN1CCOC[C@@H]1CC 2230a_100016988097_100000748629 [0,2,0,1,0,0|0,0,1]=4 52228 B12R1.75 C=C(C)CN1CCOC[C@@H]1CC 269982a_100016988097_100000748629 [0,2,0,1,0,0|0,0,1]=4 52229 B12R1.75 C=C(C)CN1CCOC[C@@H]1CC 34a_100016988097_100000748629 [0,2,0,1,0,0|0,0,1]=4 52230 B12R1.75 CC(C)CC1COCCN1CF 269982a_100000755734_100015361967 [0,2,0,1,0,0|1,0,0]=4 52231 B12R1.75 CC(C)CC1COCCN1CF 34a_100000755734_100015361967 [0,2,0,1,0,0|1,0,0]=4 52232 B12R1.75 CC(C)CN1CCOC[C@H]1CO 2230a_100000717676_100000210760 [0,2,0,1,0,0|1,0,0]=4 52233 B12R1.75 CC(C)CN1CCOC[C@H]1CO 269982a_100000717676_100000210624 [0,2,0,1,0,0|1,0,0]=4 52234 B12R1.75 CC(C)CN1CCOC[C@H]1CO 270004a_100000717676_100000210432 [0,2,0,1,0,0|1,0,0]=4 52235 B12R1.75 CC(C)CN1CCOC[C@H]1CO 34a_100000717676_100000210624 [0,2,0,1,0,0|1,0,0]=4 52236 B12R1.75 CC(C)NC1CCOCC1CO 2230a_214813039666_100000210206 [0,2,0,1,0,0|1,0,0]=4 52237 B12R1.75 CC(C)NC1CCOCC1CO 34a_214813039666_100000210206 [0,2,0,1,0,0|1,0,0]=4 52238 B12R1.75 CC(O)CN1CCOC[C@H]1CO 2230a_100000717676_100011218427 [0,2,0,1,0,0|1,0,0]=4 52239 B12R1.75 CC(O)CN1CCOC[C@H]1CO 269982a_100000717676_100011218427 [0,2,0,1,0,0|1,0,0]=4 52240 B12R1.75 CC(O)CN1CCOC[C@H]1CO 34a_100000717676_100011218427 [0,2,0,1,0,0|1,0,0]=4 52241 B12R1.75 CCC1CCCCC1OC(C)C 34a_100000210738_100000210206 [0,2,0,1,0,0|1,0,0]=4 52242 B12R1.75 CCC1CCCCC1OC(C)C 7a_100000210738_100000210206 [0,2,0,1,0,0|1,0,0]=4 52243 B12R1.75 CCC1CCCCN1CC(C)C 2230a_100000210034_100000210760 [0,2,0,1,0,0|1,0,0]=4 52244 B12R1.75 CCC1CCCCN1CC(C)C 269982a_100000210034_100000210624 [0,2,0,1,0,0|1,0,0]=4 52245 B12R1.75 CCC1CCCCN1CC(C)C 270004a_100000210034_100000210432 [0,2,0,1,0,0|1,0,0]=4 52246 B12R1.75 CCC1CCCCN1CC(C)C 34a_100000210034_100000210624 [0,2,0,1,0,0|1,0,0]=4 52247 B12R1.75 CCC1CCCCN1CC(C)O 2230a_100000210034_100011218427 [0,2,0,1,0,0|1,0,0]=4 52248 B12R1.75 CCC1CCCCN1CC(C)O 269982a_100000210034_100011218427 [0,2,0,1,0,0|1,0,0]=4 52249 B12R1.75 CCC1CCCCN1CC(C)O 34a_100000210034_100011218427 [0,2,0,1,0,0|1,0,0]=4 52250 B12R1.75 CCC1CCCCN1C[C@@H](C)O 2230a_100000210034_100009817552 [0,2,0,1,0,0|1,0,0]=4 52251 B12R1.75 CCC1CCCCN1C[C@@H](C)O 269982a_100000210034_100009817552 [0,2,0,1,0,0|1,0,0]=4 52252 B12R1.75 CCC1CCCCN1C[C@@H](C)O 34a_100000210034_100009817552 [0,2,0,1,0,0|1,0,0]=4 52253 B12R1.75 CCN1CCOCC1CC(C)C 2230a_100000755734_100000210202 [0,2,0,1,0,0|0,0,0]=3 52254 B12R1.75 CCN1CCOCC1CC(C)C 269982a_100000755734_100000204670 [0,2,0,1,0,0|0,0,0]=3 52255 B12R1.75 CCN1CCOCC1CC(C)C 34a_100000755734_100000210202 [0,2,0,1,0,0|0,0,0]=3 52256 B12R1.75 CC[C@H]1COCCN1CC(C)C 2230a_100016988097_100000210760 [0,2,0,1,0,0|0,0,0]=3 52257 B12R1.75 CC[C@H]1COCCN1CC(C)C 269982a_100016988097_100000210624 [0,2,0,1,0,0|0,0,0]=3 52258 B12R1.75 CC[C@H]1COCCN1CC(C)C 270004a_100016988097_100000210432 [0,2,0,1,0,0|0,0,0]=3 52259 B12R1.75 CC[C@H]1COCCN1CC(C)C 34a_100016988097_100000210624 [0,2,0,1,0,0|0,0,0]=3 52260 B12R1.75 CC[C@H]1COCCN1CC(C)O 2230a_100016988097_100011218427 [0,2,0,1,0,0|0,0,0]=3 52261 B12R1.75 CC[C@H]1COCCN1CC(C)O 269982a_100016988097_100011218427 [0,2,0,1,0,0|0,0,0]=3 52262 B12R1.75 CC[C@H]1COCCN1CC(C)O 34a_100016988097_100011218427 [0,2,0,1,0,0|0,0,0]=3 52263 B12R1.75 CC[C@H]1COCCN1CC(F)F 2230a_100016988097_100011934356 [0,2,0,1,0,0|1,0,0]=4 52264 B12R1.75 CC[C@H]1COCCN1CC(F)F 269982a_100016988097_100011934356 [0,2,0,1,0,0|1,0,0]=4 52265 B12R1.75 CC[C@H]1COCCN1CC(F)F 34a_100016988097_100011934356 [0,2,0,1,0,0|1,0,0]=4 52266 B12R1.75 CC[C@H]1COCCN1C[C@@H](C)O 2230a_100016988097_100009817552 [0,2,0,1,0,0|0,0,0]=3 52267 B12R1.75 CC[C@H]1COCCN1C[C@@H](C)O 269982a_100016988097_100009817552 [0,2,0,1,0,0|0,0,0]=3 52268 B12R1.75 CC[C@H]1COCCN1C[C@@H](C)O 34a_100016988097_100009817552 [0,2,0,1,0,0|0,0,0]=3 52269 B12R1.75 C[C@@H](O)CN1CCOC[C@H]1CO 2230a_100000717676_100009817552 [0,2,0,1,0,0|1,0,0]=4 52270 B12R1.75 C[C@@H](O)CN1CCOC[C@H]1CO 269982a_100000717676_100009817552 [0,2,0,1,0,0|1,0,0]=4 52271 B12R1.75 C[C@@H](O)CN1CCOC[C@H]1CO 34a_100000717676_100009817552 [0,2,0,1,0,0|1,0,0]=4 52272 B12R1.81 CC(C)CCN1CCC[C@@H]1CO 2230a_100000745186_100000210312 [0,2,0,1,0,0|1,0,0]=4 52273 B12R1.81 CC(C)CCN1CCC[C@@H]1CO 269982a_100000745186_100000210312 [0,2,0,1,0,0|1,0,0]=4 52274 B12R1.81 CC(C)CCN1CCC[C@@H]1CO 34a_100000745186_100000210312 [0,2,0,1,0,0|1,0,0]=4 52275 B12R1.81 CC(O)CCN1CCC[C@@H]1CO 2230a_100000745186_100012276601 [0,2,0,1,0,0|1,0,0]=4 52276 B12R1.81 CC(O)CCN1CCC[C@@H]1CO 269982a_100000745186_100012276601 [0,2,0,1,0,0|1,0,0]=4 52277 B12R1.81 CC(O)CCN1CCC[C@@H]1CO 34a_100000745186_100012276601 [0,2,0,1,0,0|1,0,0]=4 52278 B12R1.81 CCC1CCCC1NCC(C)C 269862a_100000210953_100000749056 [0,2,0,1,0,0|1,0,0]=4 52279 B12R1.81 CCC1CCCC1NCC(C)C 270004a_100000210953_100000749056 [0,2,0,1,0,0|1,0,0]=4 52280 B12R1.81 CCC1CCCC1NCC(C)O 269862a_100000210904_100000749056 [0,2,0,1,0,0|1,0,0]=4 52281 B12R1.81 CCC1CCCC1NCC(C)O 270004a_100000210904_100000749056 [0,2,0,1,0,0|1,0,0]=4 52282 B12R1.81 CCC1CCCN1CCC(C)C 2230a_100000754278_100000210312 [0,2,0,1,0,0|1,0,0]=4 52283 B12R1.81 CCC1CCCN1CCC(C)C 269982a_100000754278_100000210312 [0,2,0,1,0,0|1,0,0]=4 52284 B12R1.81 CCC1CCCN1CCC(C)C 34a_100000754278_100000210312 [0,2,0,1,0,0|1,0,0]=4 52285 B12R1.81 CCC1CCCN1CCC(C)O 2230a_100000754278_100012276601 [0,2,0,1,0,0|1,0,0]=4 52286 B12R1.81 CCC1CCCN1CCC(C)O 269982a_100000754278_100012276601 [0,2,0,1,0,0|1,0,0]=4 52287 B12R1.81 CCC1CCCN1CCC(C)O 34a_100000754278_100012276601 [0,2,0,1,0,0|1,0,0]=4 52288 B12R1.162 COCC1CCN1CCC(C)C 2230a_100015195929_100000210312 [0,2,0,1,0,0|1,0,0]=4 52289 B12R1.162 COCC1CCN1CCC(C)C 269982a_100015195929_100000210312 [0,2,0,1,0,0|1,0,0]=4 52290 B12R1.162 COCC1CCN1CCC(C)C 34a_100015195929_100000210312 [0,2,0,1,0,0|1,0,0]=4 52291 B12R1.162 COCC1CCN1CCC(C)O 2230a_100015195929_100012276601 [0,2,0,1,0,0|1,0,0]=4 52292 B12R1.162 COCC1CCN1CCC(C)O 269982a_100015195929_100012276601 [0,2,0,1,0,0|1,0,0]=4 52293 B12R1.162 COCC1CCN1CCC(C)O 34a_100015195929_100012276601 [0,2,0,1,0,0|1,0,0]=4 52294 B12R1.283 CC(C)[C@H]1COCCN1CCF 2230a_100025712635_100011217306 [0,2,0,1,0,0|1,0,0]=4 52295 B12R1.283 CC(C)[C@H]1COCCN1CCF 269982a_100025712635_100011217306 [0,2,0,1,0,0|1,0,0]=4 52296 B12R1.283 CC(C)[C@H]1COCCN1CCF 34a_100025712635_100011217306 [0,2,0,1,0,0|1,0,0]=4 52297 B12R1.283 CC(C)[C@H]1COCCN1CCO 2230a_100025712635_100000211926 [0,2,0,1,0,0|1,0,0]=4 52298 B12R1.283 CC(C)[C@H]1COCCN1CCO 269982a_100025712635_100000211926 [0,2,0,1,0,0|1,0,0]=4 52299 B12R1.283 CC(C)[C@H]1COCCN1CCO 34a_100025712635_100000211926 [0,2,0,1,0,0|1,0,0]=4 52300 B12R1.283 CCCC1CCCCC1N(C)C 270004a_100102631434_100011218038 [0,2,0,1,0,0|1,0,0]=4 52301 B12R1.283 CCCC1CCCCN1C(C)C 2230a_100000701414_100000210206 [0,2,0,1,0,0|1,0,0]=4 52302 B12R1.283 CCCC1CCCCN1C(C)C 269982a_100000701414_100000210206 [0,2,0,1,0,0|1,0,0]=4 52303 B12R1.283 CCCC1CCCCN1C(C)C 34a_100000701414_100000210206 [0,2,0,1,0,0|1,0,0]=4 52304 B12R1.283 CCCC1COCCN1C(=O)C 11a_102495339903_100015343762 [0,2,0,1,0,0|0,0,1]=4 52305 B12R1.283 CCCC1COCCN1C(=O)C 1626a_102495339903_100015343762 [0,2,0,1,0,0|0,0,1]=4 52306 B12R1.283 CCCC1COCCN1C(=O)C 240690a_102495339903_100015343762 [0,2,0,1,0,0|0,0,1]=4 52307 B12R1.283 CCCC1COCCN1C(=O)C 527a_102495339903_100103153847 [0,2,0,1,0,0|0,0,1]=4 52308 B12R1.283 CCCC1COCCN1C(C)C 2230a_102495339903_100000210206 [0,2,0,1,0,0|0,0,0]=3 52309 B12R1.283 CCCC1COCCN1C(C)C 269982a_102495339903_100000210206 [0,2,0,1,0,0|0,0,0]=3 52310 B12R1.283 CCCC1COCCN1C(C)C 34a_102495339903_100000210206 [0,2,0,1,0,0|0,0,0]=3 52311 B12R1.283 CCCN1CCCCC1C(C)C 2230a_100000757267_100000210303 [0,2,0,1,0,0|1,0,0]=4 52312 B12R1.283 CCCN1CCCCC1C(C)C 269982a_100000757267_100000210303 [0,2,0,1,0,0|1,0,0]=4 52313 B12R1.283 CCCN1CCCCC1C(C)C 34a_100000757267_100000210303 [0,2,0,1,0,0|1,0,0]=4 52314 B12R1.283 CCCN1CCOC[C@@H]1C(C)C 2230a_100025712635_100000210303 [0,2,0,1,0,0|0,0,0]=3 52315 B12R1.283 CCCN1CCOC[C@@H]1C(C)C 269982a_100025712635_100000210303 [0,2,0,1,0,0|0,0,0]=3 52316 B12R1.283 CCCN1CCOC[C@@H]1C(C)C 34a_100025712635_100000210303 [0,2,0,1,0,0|0,0,0]=3 52317 B12R1.283 CCOC1CCCCC1C(C)C 34a_100011709184_100000210202 [0,2,0,1,0,0|1,0,0]=4 52318 B12R1.283 CCOC1CCCCC1C(C)C 7a_100011709184_100000210202 [0,2,0,1,0,0|1,0,0]=4 52319 B12R1.283 COCN1CCOC[C@@H]1C(C)C 2230a_100025712635_100000766300 [0,2,0,1,0,0|1,0,0]=4 52320 B12R1.283 COCN1CCOC[C@@H]1C(C)C 269982a_100025712635_100000766300 [0,2,0,1,0,0|1,0,0]=4 52321 B12R1.283 COC[C@H]1COCCN1C(C)C 2230a_100016989928_100000210206 [0,2,0,1,0,0|1,0,0]=4 52322 B12R1.283 COC[C@H]1COCCN1C(C)C 269982a_100016989928_100000210206 [0,2,0,1,0,0|1,0,0]=4 52323 B12R1.283 COC[C@H]1COCCN1C(C)C 34a_100016989928_100000210206 [0,2,0,1,0,0|1,0,0]=4 52324 B12R1.283 CSCN1CCOC[C@@H]1C(C)C 2230a_100025712635_100011218213 [0,2,0,1,0,0|1,0,0]=4 52325 B12R1.283 CSCN1CCOC[C@@H]1C(C)C 269982a_100025712635_100011218213 [0,2,0,1,0,0|1,0,0]=4 52326 B12R1.283 CSCN1CCOC[C@@H]1C(C)C 34a_100025712635_100011218213 [0,2,0,1,0,0|1,0,0]=4 52327 B12R1.289 CCCN1CCCC1CC(C)C 2230a_100000748429_100000210303 [0,2,0,1,0,0|1,0,0]=4 52328 B12R1.289 CCCN1CCCC1CC(C)C 269982a_100000748429_100000210303 [0,2,0,1,0,0|1,0,0]=4 52329 B12R1.289 CCCN1CCCC1CC(C)C 34a_100000748429_100000210303 [0,2,0,1,0,0|1,0,0]=4 52330 B12R1.375 BrCCCCCCCOC1CC1 34a_100000760002_100000211595 [0,2,0,1,0,0|1,0,0]=4 52331 B12R1.375 BrCCCCCCOCC1CC1 34a_100011215345_100000742324 [0,2,0,1,0,0|0,0,0]=3 52332 B12R1.375 BrCCCCCCOCC1CC1 7a_100011215345_100000742324 [0,2,0,1,0,0|0,0,0]=3 52333 B12R1.375 BrCCCCCCOCC1CO1 34a_100011215345_102125554688 [0,2,0,1,0,0|1,0,0]=4 52334 B12R1.375 BrCCCCCCOCC1CO1 7a_100011215345_102125554688 [0,2,0,1,0,0|1,0,0]=4 52335 B12R1.375 BrCCCCCCOCC1CS1 7a_100011215345_100000031435 [0,2,0,1,0,0|1,0,0]=4 52336 B12R1.375 BrCCCCCCOC[C@@H]1CO1 7a_100011215345_100000745022 [0,2,0,1,0,0|1,0,0]=4 52337 B12R1.375 BrCCCCCOCCC1CC1 34a_100000746331_100000694398 [0,2,0,1,0,0|0,0,0]=3 52338 B12R1.375 BrCCCCCOCCC1CC1 7a_100000746331_100000764125 [0,2,0,1,0,0|0,0,0]=3 52339 B12R1.375 BrCCCCCOCCC1CO1 34a_100000746331_100000732470 [0,2,0,1,0,0|0,0,0]=3 52340 B12R1.375 BrCCCCCOCCC1CO1 7a_100000746331_100000732470 [0,2,0,1,0,0|0,0,0]=3 52341 B12R1.375 BrCCCCOCC#CC1CC1 34a_100011216708_100009895102 [0,2,0,1,0,0|0,0,1]=4 52342 B12R1.375 BrCCCCOCCCC1CO1 34a_100011216708_100000733510 [0,2,0,1,0,0|0,0,0]=3 52343 B12R1.375 BrCCOCCOCCC1CC1 34a_100000692535_100000694398 [0,2,0,1,0,0|0,0,0]=3 52344 B12R1.375 BrCCOCCOCCC1CC1 7a_100000692535_100000764125 [0,2,0,1,0,0|0,0,0]=3 52345 B12R1.375 BrCCOCCOCCC1CO1 34a_100000692535_100000732470 [0,2,0,1,0,0|1,0,0]=4 52346 B12R1.375 BrCCOCCOCCC1CO1 7a_100000692535_100000732470 [0,2,0,1,0,0|1,0,0]=4 52347 B12R1.375 C#CCCCCCNCC1CC1 2230a_100000735609_100012094781 [0,2,0,1,0,0|1,0,0]=4 52348 B12R1.375 C#CCCCCCNCC1CC1 34a_100000735609_100012094781 [0,2,0,1,0,0|1,0,0]=4 52349 B12R1.375 C#CCCCCCOCC1CC1 34a_100000211283_100012094781 [0,2,0,1,0,0|0,0,0]=3 52350 B12R1.375 C#CCCCCCOCC1CC1 34a_100000766912_100000742324 [0,2,0,1,0,0|0,0,0]=3 52351 B12R1.375 C#CCCCCCOCC1CC1 7a_100000766912_100000742324 [0,2,0,1,0,0|0,0,0]=3 52352 B12R1.375 C#CCCCCCOCC1CO1 34a_100000766912_102125554688 [0,2,0,1,0,0|1,0,0]=4 52353 B12R1.375 C#CCCCCCOCC1CO1 7a_100000766912_102125554688 [0,2,0,1,0,0|1,0,0]=4 52354 B12R1.375 C#CCCCCCOCC1CS1 7a_100000766912_100000031435 [0,2,0,1,0,0|1,0,0]=4 52355 B12R1.375 C#CCCCCCOC[C@@H]1CO1 34a_100000757423_100012094781 [0,2,0,1,0,0|1,0,0]=4 52356 B12R1.375 C#CCCCCCOC[C@@H]1CO1 7a_100000766912_100000745022 [0,2,0,1,0,0|1,0,0]=4 52357 B12R1.375 C#CCCCCCSCC1CC1 62a_100000756562_100012094781 [0,2,0,1,0,0|0,1,0]=4 52358 B12R1.375 C#CCCCCCSCC1CC1 62a_100012094781_100000742324 [0,2,0,1,0,0|0,1,0]=4 52359 B12R1.375 C#CCCCCNCCC1CC1 2230a_100000706060_100000694398 [0,2,0,1,0,0|1,0,0]=4 52360 B12R1.375 C#CCCCCNCCC1CC1 34a_100000706060_100000694398 [0,2,0,1,0,0|1,0,0]=4 52361 B12R1.375 C#CCCCCNCCC1CC1 34a_100000764129_100010269958 [0,2,0,1,0,0|1,0,0]=4 52362 B12R1.375 C#CCCCCOCCC1CC1 34a_100000754188_100010269958 [0,2,0,1,0,0|0,0,0]=3 52363 B12R1.375 C#CCCCCOCCC1CC1 34a_100000766709_100000694398 [0,2,0,1,0,0|0,0,0]=3 52364 B12R1.375 C#CCCCCOCCC1CC1 7a_100000754188_100010269958 [0,2,0,1,0,0|0,0,0]=3 52365 B12R1.375 C#CCCCCOCCC1CC1 7a_100000766709_100000764125 [0,2,0,1,0,0|0,0,0]=3 52366 B12R1.375 C#CCCCCOCCC1CO1 34a_100000766709_100000732470 [0,2,0,1,0,0|0,0,1]=4 52367 B12R1.375 C#CCCCCOCCC1CO1 7a_100000766709_100000732470 [0,2,0,1,0,0|0,0,1]=4 52368 B12R1.375 C#CCCCCOCC[C@@H]1CO1 34a_100009820653_100010269958 [0,2,0,1,0,0|0,0,1]=4 52369 B12R1.375 C#CCCCCSCCC1CC1 62a_100000764125_100010269958 [0,2,0,1,0,0|0,1,0]=4 52370 B12R1.375 C#CCCCCSCCC1CC1 62a_100010269958_100000764125 [0,2,0,1,0,0|0,1,0]=4 52371 B12R1.375 C#CCCCOCCCC1CO1 34a_100000215630_100000733510 [0,2,0,1,0,0|0,0,1]=4 52372 B12R1.375 C#CCCCOCCCC1CO1 7a_100000215630_100000733510 [0,2,0,1,0,0|0,0,1]=4 52373 B12R1.375 C#CCCCOCCNC1CC1 34a_100000738766_100000695029 [0,2,0,1,0,0|0,0,1]=4 52374 B12R1.375 C#CCOCCOCCC1CC1 34a_100000054580_100000694398 [0,2,0,1,0,0|0,0,1]=4 52375 B12R1.375 C#CCOCCOCCC1CC1 34a_100000754188_100010402529 [0,2,0,1,0,0|0,0,1]=4 52376 B12R1.375 C#CCOCCOCCC1CC1 7a_100000054580_100000764125 [0,2,0,1,0,0|0,0,1]=4 52377 B12R1.375 C#CCOCCOCCC1CC1 7a_100000754188_100010402529 [0,2,0,1,0,0|0,0,1]=4 52378 B12R1.375 C/C=C/CCOCCCC1CO1 34a_100016278192_100000733510 [0,2,0,1,0,0|0,0,1]=4 52379 B12R1.375 C=CCCCCCNCC1CC1 2230a_100000735609_100000700193 [0,2,0,1,0,0|1,0,0]=4 52380 B12R1.375 C=CCCCCCNCC1CC1 34a_100000735609_100000700193 [0,2,0,1,0,0|1,0,0]=4 52381 B12R1.375 C=CCCCCCOCC1CC1 34a_100000211283_100000700193 [0,2,0,1,0,0|0,0,0]=3 52382 B12R1.375 C=CCCCCCOCC1CC1 34a_100011216702_100000742324 [0,2,0,1,0,0|0,0,0]=3 52383 B12R1.375 C=CCCCCCOCC1CC1 7a_100011216702_100000742324 [0,2,0,1,0,0|0,0,0]=3 52384 B12R1.375 C=CCCCCCOCC1CO1 34a_100011216702_102125554688 [0,2,0,1,0,0|1,0,0]=4 52385 B12R1.375 C=CCCCCCOCC1CO1 7a_100011216702_102125554688 [0,2,0,1,0,0|1,0,0]=4 52386 B12R1.375 C=CCCCCCOCC1CS1 7a_100011216702_100000031435 [0,2,0,1,0,0|1,0,0]=4 52387 B12R1.375 C=CCCCCCOC[C@@H]1CO1 34a_100000757423_100000700193 [0,2,0,1,0,0|1,0,0]=4 52388 B12R1.375 C=CCCCCCOC[C@@H]1CO1 7a_100011216702_100000745022 [0,2,0,1,0,0|1,0,0]=4 52389 B12R1.375 C=CCCCCCSCC1CC1 62a_100000700193_100000742324 [0,2,0,1,0,0|0,1,0]=4 52390 B12R1.375 C=CCCCCCSCC1CC1 62a_100000756562_100000700193 [0,2,0,1,0,0|0,1,0]=4 52391 B12R1.375 C=CCCCCNCCC1CC1 2230a_100000703577_100000694398 [0,2,0,1,0,0|1,0,0]=4 52392 B12R1.375 C=CCCCCNCCC1CC1 34a_100000703577_100000694398 [0,2,0,1,0,0|1,0,0]=4 52393 B12R1.375 C=CCCCCNCCC1CC1 34a_100000764129_100011215482 [0,2,0,1,0,0|1,0,0]=4 52394 B12R1.375 C=CCCCCOCCC1CC1 34a_100000754188_100011215482 [0,2,0,1,0,0|0,0,0]=3 52395 B12R1.375 C=CCCCCOCCC1CC1 34a_100000766645_100000694398 [0,2,0,1,0,0|0,0,0]=3 52396 B12R1.375 C=CCCCCOCCC1CC1 7a_100000754188_100011215482 [0,2,0,1,0,0|0,0,0]=3 52397 B12R1.375 C=CCCCCOCCC1CC1 7a_100000766645_100000764125 [0,2,0,1,0,0|0,0,0]=3 52398 B12R1.375 C=CCCCCOCCC1CO1 34a_100000766645_100000732470 [0,2,0,1,0,0|0,0,1]=4 52399 B12R1.375 C=CCCCCOCCC1CO1 7a_100000766645_100000732470 [0,2,0,1,0,0|0,0,1]=4 52400 B12R1.375 C=CCCCCOCC[C@@H]1CO1 34a_100009820653_100011215482 [0,2,0,1,0,0|0,0,1]=4 52401 B12R1.375 C=CCCCCSCCC1CC1 62a_100000764125_100011215482 [0,2,0,1,0,0|0,1,0]=4 52402 B12R1.375 C=CCCCCSCCC1CC1 62a_100011215482_100000764125 [0,2,0,1,0,0|0,1,0]=4 52403 B12R1.375 C=CCCCOCCCC1CO1 34a_100000758997_100000733510 [0,2,0,1,0,0|0,0,1]=4 52404 B12R1.375 C=CCCCOCCCC1CO1 7a_100000758997_100000733510 [0,2,0,1,0,0|0,0,1]=4 52405 B12R1.375 C=CCCCOCCNC1CC1 34a_100000738766_100000757094 [0,2,0,1,0,0|0,0,1]=4 52406 B12R1.375 C=CCOCCOCCC1CC1 34a_100000037705_100000694398 [0,2,0,1,0,0|0,0,1]=4 52407 B12R1.375 C=CCOCCOCCC1CC1 7a_100000037705_100000764125 [0,2,0,1,0,0|0,0,1]=4 52408 B12R1.375 C=COCCCCOCC1CC1 34a_100000031558_100000742324 [0,2,0,1,0,0|0,0,1]=4 52409 B12R1.375 C=COCCCCOCC1CC1 7a_100000031558_100000742324 [0,2,0,1,0,0|0,0,1]=4 52410 B12R1.375 CC#CCCOCCCC1CO1 34a_100000750427_100000733510 [0,2,0,1,0,0|0,0,1]=4 52411 B12R1.375 CC/C=C/CCCOCC1CC1 34a_100016287902_100000742324 [0,2,0,1,0,0|0,0,0]=3 52412 B12R1.375 CC/C=C/CCCOCC1CC1 7a_100016287902_100000742324 [0,2,0,1,0,0|0,0,0]=3 52413 B12R1.375 CC/C=C/CCCOCC1CO1 34a_100016287902_102125554688 [0,2,0,1,0,0|1,0,0]=4 52414 B12R1.375 CC/C=C/CCCOCC1CO1 7a_100016287902_102125554688 [0,2,0,1,0,0|1,0,0]=4 52415 B12R1.375 CC/C=C/CCCOCC1CS1 7a_100016287902_100000031435 [0,2,0,1,0,0|1,0,0]=4 52416 B12R1.375 CC/C=C/CCCOC[C@@H]1CO1 7a_100016287902_100000745022 [0,2,0,1,0,0|1,0,0]=4 52417 B12R1.375 CC/C=C\CCNCCC1CC1 34a_100000764129_100015370543 [0,2,0,1,0,0|1,0,0]=4 52418 B12R1.375 CC/C=C\CCOCCC1CC1 34a_100000754188_100015370543 [0,2,0,1,0,0|0,0,0]=3 52419 B12R1.375 CC/C=C\CCOCCC1CC1 34a_100016288707_100000694398 [0,2,0,1,0,0|0,0,0]=3 52420 B12R1.375 CC/C=C\CCOCCC1CC1 7a_100000754188_100015370543 [0,2,0,1,0,0|0,0,0]=3 52421 B12R1.375 CC/C=C\CCOCCC1CC1 7a_100016288707_100000764125 [0,2,0,1,0,0|0,0,0]=3 52422 B12R1.375 CC/C=C\CCOCCC1CO1 34a_100016288707_100000732470 [0,2,0,1,0,0|0,0,1]=4 52423 B12R1.375 CC/C=C\CCOCCC1CO1 7a_100016288707_100000732470 [0,2,0,1,0,0|0,0,1]=4 52424 B12R1.375 CC/C=C\CCOCC[C@@H]1CO1 34a_100009820653_100015370543 [0,2,0,1,0,0|0,0,1]=4 52425 B12R1.375 CC/C=C\CCSCCC1CC1 62a_100000764125_100015370543 [0,2,0,1,0,0|0,1,0]=4 52426 B12R1.375 CC/C=C\CCSCCC1CC1 62a_100015370543_100000764125 [0,2,0,1,0,0|0,1,0]=4 52427 B12R1.375 CC/C=C\COCCCC1CO1 34a_100016268518_100000733510 [0,2,0,1,0,0|0,0,1]=4 52428 B12R1.375 CC/C=C\COCCNC1CC1 34a_100000738766_100103147603 [0,2,0,1,0,0|0,0,1]=4 52429 B12R1.375 CC=C=CCCOCCC1CC1 34a_100011020354_100000694398 [0,2,0,1,0,0|0,0,1]=4 52430 B12R1.375 CC=CCCCOCCC1CC1 34a_100020645299_100000694398 [0,2,0,1,0,0|0,0,0]=3 52431 B12R1.375 CC=CCCCOCCC1CO1 34a_100020645299_100000732470 [0,2,0,1,0,0|0,0,1]=4 52432 B12R1.375 CCC#CCCOCCC1CC1 34a_100000036655_100000694398 [0,2,0,1,0,0|0,0,0]=3 52433 B12R1.375 CCC#CCCOCCC1CC1 7a_100000036655_100000764125 [0,2,0,1,0,0|0,0,0]=3 52434 B12R1.375 CCC#CCCOCCC1CO1 34a_100000036655_100000732470 [0,2,0,1,0,0|0,0,1]=4 52435 B12R1.375 CCC#CCCOCCC1CO1 7a_100000036655_100000732470 [0,2,0,1,0,0|0,0,1]=4 52436 B12R1.375 CCC#CCOCCCC1CO1 34a_100000032950_100000733510 [0,2,0,1,0,0|0,0,1]=4 52437 B12R1.375 CCC#CCOCCNC1CC1 34a_100000738766_100009813939 [0,2,0,1,0,0|0,0,1]=4 52438 B12R1.375 CCC/C=C/COCCC1CC1 34a_100016278788_100000694398 [0,2,0,1,0,0|0,0,0]=3 52439 B12R1.375 CCC/C=C/COCCC1CC1 7a_100016278788_100000764125 [0,2,0,1,0,0|0,0,0]=3 52440 B12R1.375 CCC/C=C/COCCC1CO1 34a_100016278788_100000732470 [0,2,0,1,0,0|0,0,1]=4 52441 B12R1.375 CCC/C=C/COCCC1CO1 7a_100016278788_100000732470 [0,2,0,1,0,0|0,0,1]=4 52442 B12R1.375 CCCC#CCCOCC1CC1 34a_100000042726_100000742324 [0,2,0,1,0,0|0,0,0]=3 52443 B12R1.375 CCCC#CCCOCC1CC1 7a_100000042726_100000742324 [0,2,0,1,0,0|0,0,0]=3 52444 B12R1.375 CCCC#CCCOCC1CO1 34a_100000042726_102125554688 [0,2,0,1,0,0|1,0,0]=4 52445 B12R1.375 CCCC#CCCOCC1CO1 7a_100000042726_102125554688 [0,2,0,1,0,0|1,0,0]=4 52446 B12R1.375 CCCC#CCCOCC1CS1 7a_100000042726_100000031435 [0,2,0,1,0,0|1,0,0]=4 52447 B12R1.375 CCCC#CCCOC[C@@H]1CO1 7a_100000042726_100000745022 [0,2,0,1,0,0|1,0,0]=4 52448 B12R1.375 CCCC#CCOCCC1CC1 34a_100000034806_100000694398 [0,2,0,1,0,0|0,0,0]=3 52449 B12R1.375 CCCC#CCOCCC1CC1 7a_100000034806_100000764125 [0,2,0,1,0,0|0,0,0]=3 52450 B12R1.375 CCCC#CCOCCC1CO1 34a_100000034806_100000732470 [0,2,0,1,0,0|0,0,1]=4 52451 B12R1.375 CCCC#CCOCCC1CO1 7a_100000034806_100000732470 [0,2,0,1,0,0|0,0,1]=4 52452 B12R1.375 CCCC/C=C/COCC1CC1 34a_200016272032_100000742324 [0,2,0,1,0,0|0,0,0]=3 52453 B12R1.375 CCCC/C=C/COCC1CC1 7a_200016272032_100000742324 [0,2,0,1,0,0|0,0,0]=3 52454 B12R1.375 CCCC/C=C/COCC1CO1 34a_200016272032_102125554688 [0,2,0,1,0,0|1,0,0]=4 52455 B12R1.375 CCCC/C=C/COCC1CO1 7a_200016272032_102125554688 [0,2,0,1,0,0|1,0,0]=4 52456 B12R1.375 CCCC/C=C/COCC1CS1 7a_200016272032_100000031435 [0,2,0,1,0,0|1,0,0]=4 52457 B12R1.375 CCCC/C=C/COC[C@@H]1CO1 7a_200016272032_100000745022 [0,2,0,1,0,0|1,0,0]=4 52458 B12R1.375 CCCC/C=C\CCOC1CC1 34a_200016286491_100000211595 [0,2,0,1,0,0|1,0,0]=4 52459 B12R1.375 CCCCC#CCCOC1CC1 34a_100000037610_100000211595 [0,2,0,1,0,0|1,0,0]=4 52460 B12R1.375 CCCCC#CCOCC1CC1 34a_200000034558_100000742324 [0,2,0,1,0,0|0,0,0]=3 52461 B12R1.375 CCCCC#CCOCC1CC1 7a_200000034558_100000742324 [0,2,0,1,0,0|0,0,0]=3 52462 B12R1.375 CCCCC#CCOCC1CO1 34a_200000034558_102125554688 [0,2,0,1,0,0|1,0,0]=4 52463 B12R1.375 CCCCC#CCOCC1CO1 7a_200000034558_102125554688 [0,2,0,1,0,0|1,0,0]=4 52464 B12R1.375 CCCCC#CCOCC1CS1 7a_200000034558_100000031435 [0,2,0,1,0,0|1,0,0]=4 52465 B12R1.375 CCCCC#CCOC[C@@H]1CO1 7a_200000034558_100000745022 [0,2,0,1,0,0|1,0,0]=4 52466 B12R1.375 CCCCC/C=C/COC1CC1 34a_100016258190_100000211595 [0,2,0,1,0,0|1,0,0]=4 52467 B12R1.375 CCCCCC#CCNC1CC1 34a_100000212008_100009816472 [0,2,0,1,0,0|1,0,0]=4 52468 B12R1.375 CCCCCC#CCOC1CC1 34a_200000033628_100000211595 [0,2,0,1,0,0|1,0,0]=4 52469 B12R1.375 CCCCCC#CCSC1CC1 62a_100009816472_100000211595 [0,2,0,1,0,0|1,0,0]=4 52470 B12R1.375 CCCCCC=NNCC1CC1 4a_100000736359_100000737632 [0,2,0,1,0,0|1,0,0]=4 52471 B12R1.375 CCCCCCCCNC1CC1 34a_100000212008_100000210759 [0,2,0,1,0,0|1,0,0]=4 52472 B12R1.375 CCCCCCCCNC1CC1 34a_100000229939_100000211595 [0,2,0,1,0,0|1,0,0]=4 52473 B12R1.375 CCCCCCCCOC1CC1 34a_100000210232_100000211595 [0,2,0,1,0,0|1,0,0]=4 52474 B12R1.375 CCCCCCCCSC1CC1 62a_100000210759_100000211595 [0,2,0,1,0,0|1,0,0]=4 52475 B12R1.375 CCCCCCCNCC1CC1 2230a_100000229938_100000742324 [0,2,0,1,0,0|1,0,0]=4 52476 B12R1.375 CCCCCCCNCC1CC1 2230a_100000735609_100000210681 [0,2,0,1,0,0|1,0,0]=4 52477 B12R1.375 CCCCCCCNCC1CC1 269862a_100000229938_100000741477 [0,2,0,1,0,0|1,0,0]=4 52478 B12R1.375 CCCCCCCNCC1CC1 34a_100000735609_100000210614 [0,2,0,1,0,0|1,0,0]=4 52479 B12R1.375 CCCCCCCNCC1CO1 2230a_100000229938_100011216344 [0,2,0,1,0,0|1,0,0]=4 52480 B12R1.375 CCCCCCCOCC1CC1 34a_100000210272_100000742324 [0,2,0,1,0,0|0,0,0]=3 52481 B12R1.375 CCCCCCCOCC1CC1 34a_100000211283_100000210614 [0,2,0,1,0,0|0,0,0]=3 52482 B12R1.375 CCCCCCCOCC1CC1 7a_100000210272_100000742324 [0,2,0,1,0,0|0,0,0]=3 52483 B12R1.375 CCCCCCCOCC1CO1 34a_100000210272_102125554688 [0,2,0,1,0,0|1,0,0]=4 52484 B12R1.375 CCCCCCCOCC1CO1 7a_100000210272_102125554688 [0,2,0,1,0,0|1,0,0]=4 52485 B12R1.375 CCCCCCCOCC1CS1 7a_100000210272_100000031435 [0,2,0,1,0,0|1,0,0]=4 52486 B12R1.375 CCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210614 [0,2,0,1,0,0|1,0,0]=4 52487 B12R1.375 CCCCCCCOC[C@@H]1CO1 7a_100000210272_100000745022 [0,2,0,1,0,0|1,0,0]=4 52488 B12R1.375 CCCCCCCSCC1CC1 62a_100000210614_100000742324 [0,2,0,1,0,0|0,1,0]=4 52489 B12R1.375 CCCCCCCSCC1CC1 62a_100000756562_100000210316 [0,2,0,1,0,0|0,1,0]=4 52490 B12R1.375 CCCCCCCSCC1CO1 62a_100000210614_102125554688 [0,2,0,1,0,0|1,0,0]=4 52491 B12R1.375 CCCCCCCSCC1CO1 62a_102125554688_100000210316 [0,2,0,1,0,0|1,0,0]=4 52492 B12R1.375 CCCCCCCSCC1CS1 62a_100000031435_100000210316 [0,2,0,1,0,0|1,0,0]=4 52493 B12R1.375 CCCCCCCSCC1CS1 62a_100000210614_100000031435 [0,2,0,1,0,0|1,0,0]=4 52494 B12R1.375 CCCCCCCSC[C@@H]1CO1 62a_100000210614_100000745022 [0,2,0,1,0,0|1,0,0]=4 52495 B12R1.375 CCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210316 [0,2,0,1,0,0|1,0,0]=4 52496 B12R1.375 CCCCCCNCCC1CC1 2230a_100000210581_100000694398 [0,2,0,1,0,0|1,0,0]=4 52497 B12R1.375 CCCCCCNCCC1CC1 34a_100000764129_100000210314 [0,2,0,1,0,0|1,0,0]=4 52498 B12R1.375 CCCCCCNCCC1CO1 2230a_100000210581_100000732470 [0,2,0,1,0,0|1,0,0]=4 52499 B12R1.375 CCCCCCOCCC1CC1 34a_100000210259_100000694398 [0,2,0,1,0,0|0,0,0]=3 52500 B12R1.375 CCCCCCOCCC1CC1 34a_100000754188_100000210314 [0,2,0,1,0,0|0,0,0]=3 52501 B12R1.375 CCCCCCOCCC1CC1 7a_100000210259_100000764125 [0,2,0,1,0,0|0,0,0]=3 52502 B12R1.375 CCCCCCOCCC1CC1 7a_100000754188_100000210314 [0,2,0,1,0,0|0,0,0]=3 52503 B12R1.375 CCCCCCOCCC1CO1 34a_100000210259_100000732470 [0,2,0,1,0,0|0,0,0]=3 52504 B12R1.375 CCCCCCOCCC1CO1 7a_100000210259_100000732470 [0,2,0,1,0,0|0,0,0]=3 52505 B12R1.375 CCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210314 [0,2,0,1,0,0|0,0,0]=3 52506 B12R1.375 CCCCCCSCCC1CC1 62a_100000210314_100000764125 [0,2,0,1,0,0|0,1,0]=4 52507 B12R1.375 CCCCCCSCCC1CC1 62a_100000764125_100000210757 [0,2,0,1,0,0|0,1,0]=4 52508 B12R1.375 CCCCCCSCCC1CO1 62a_100000210314_100000732470 [0,2,0,1,0,0|0,1,0]=4 52509 B12R1.375 CCCCCCSCCC1CO1 62a_100000732470_100000210757 [0,2,0,1,0,0|0,1,0]=4 52510 B12R1.375 CCCCCNCC#CC1CC1 2230a_100000209983_100009895102 [0,2,0,1,0,0|1,0,0]=4 52511 B12R1.375 CCCCCNCCCC1CO1 2230a_100000209983_100000733510 [0,2,0,1,0,0|1,0,0]=4 52512 B12R1.375 CCCCCNCCOC1CC1 34a_100000224656_100000211595 [0,2,0,1,0,0|1,0,0]=4 52513 B12R1.375 CCCCCOCC#CC1CC1 34a_100000083941_100000718602 [0,2,0,1,0,0|0,0,0]=3 52514 B12R1.375 CCCCCOCC#CC1CC1 34a_100000210253_100009895102 [0,2,0,1,0,0|0,0,0]=3 52515 B12R1.375 CCCCCOCC#CC1CC1 7a_100000083941_100000210326 [0,2,0,1,0,0|0,0,0]=3 52516 B12R1.375 CCCCCOCC#CC1CC1 7a_100000210253_100009895102 [0,2,0,1,0,0|0,0,0]=3 52517 B12R1.375 CCCCCOCCCC1CO1 34a_100000210253_100000733510 [0,2,0,1,0,0|0,0,0]=3 52518 B12R1.375 CCCCCOCCCC1CO1 7a_100000210253_100000733510 [0,2,0,1,0,0|0,0,0]=3 52519 B12R1.375 CCCCCOCCNC1CC1 34a_100000738766_100000718602 [0,2,0,1,0,0|0,0,0]=3 52520 B12R1.375 CCCCCOCCOC1CC1 34a_100011215259_100000211595 [0,2,0,1,0,0|0,0,0]=3 52521 B12R1.375 CCCCCSCC#CC1CC1 62a_100000210326_100009895102 [0,2,0,1,0,0|0,1,0]=4 52522 B12R1.375 CCCCCSCC#CC1CC1 62a_100009895102_100000210326 [0,2,0,1,0,0|0,1,0]=4 52523 B12R1.375 CCCCCSCCCC1CO1 62a_100000210326_100000733510 [0,2,0,1,0,0|0,1,0]=4 52524 B12R1.375 CCCCCSCCCC1CO1 62a_100000733510_100000210326 [0,2,0,1,0,0|0,1,0]=4 52525 B12R1.375 CCCCOCCCNC1CC1 34a_200000211371_100000211595 [0,2,0,1,0,0|0,0,0]=3 52526 B12R1.375 CCCCOCCCOC1CC1 34a_200011215613_100000211595 [0,2,0,1,0,0|0,0,0]=3 52527 B12R1.375 CCCCOCCNCC1CC1 2230a_100000735609_100000743108 [0,2,0,1,0,0|0,0,0]=3 52528 B12R1.375 CCCCOCCNCC1CC1 34a_100000735609_100000743108 [0,2,0,1,0,0|0,0,0]=3 52529 B12R1.375 CCCCOCCOCC1CC1 34a_100000210238_100000742324 [0,2,0,1,0,0|0,0,0]=3 52530 B12R1.375 CCCCOCCOCC1CC1 34a_100000211283_100000743108 [0,2,0,1,0,0|0,0,0]=3 52531 B12R1.375 CCCCOCCOCC1CC1 7a_100000210238_100000742324 [0,2,0,1,0,0|0,0,0]=3 52532 B12R1.375 CCCCOCCOCC1CO1 34a_100000210238_102125554688 [0,2,0,1,0,0|0,0,0]=3 52533 B12R1.375 CCCCOCCOCC1CO1 7a_100000210238_102125554688 [0,2,0,1,0,0|0,0,0]=3 52534 B12R1.375 CCCCOCCOCC1CS1 7a_100000210238_100000031435 [0,2,0,1,0,0|0,0,0]=3 52535 B12R1.375 CCCCOCCOC[C@@H]1CO1 34a_100000757423_100000743108 [0,2,0,1,0,0|0,0,0]=3 52536 B12R1.375 CCCCOCCOC[C@@H]1CO1 7a_100000210238_100000745022 [0,2,0,1,0,0|0,0,0]=3 52537 B12R1.375 CCCCOCCSCC1CC1 62a_100000743108_100000742324 [0,2,0,1,0,0|0,0,0]=3 52538 B12R1.375 CCCCOCCSCC1CC1 62a_100000756562_100000743108 [0,2,0,1,0,0|0,0,0]=3 52539 B12R1.375 CCCCOCCSCC1CO1 62a_100000743108_102125554688 [0,2,0,1,0,0|0,0,0]=3 52540 B12R1.375 CCCCOCCSCC1CO1 62a_102125554688_100000743108 [0,2,0,1,0,0|0,0,0]=3 52541 B12R1.375 CCCCOCCSCC1CS1 62a_100000031435_100000743108 [0,2,0,1,0,0|0,0,0]=3 52542 B12R1.375 CCCCOCCSCC1CS1 62a_100000743108_100000031435 [0,2,0,1,0,0|0,0,0]=3 52543 B12R1.375 CCCCOCCSC[C@@H]1CO1 62a_100000743108_100000745022 [0,2,0,1,0,0|0,0,0]=3 52544 B12R1.375 CCCCOCCSC[C@@H]1CO1 62a_100000745022_100000743108 [0,2,0,1,0,0|0,0,0]=3 52545 B12R1.375 CCCCOCNCCC1CC1 34a_100000764129_100011995733 [0,2,0,1,0,0|0,0,0]=3 52546 B12R1.375 CCCCOCOCCC1CC1 34a_100000754188_100011995733 [0,2,0,1,0,0|0,0,0]=3 52547 B12R1.375 CCCCOCOCC[C@@H]1CO1 34a_100009820653_100011995733 [0,2,0,1,0,0|0,0,0]=3 52548 B12R1.375 CCCCOCSCCC1CC1 62a_100000764125_100011995733 [0,2,0,1,0,0|0,0,0]=3 52549 B12R1.375 CCCCOCSCCC1CC1 62a_100011995733_100000764125 [0,2,0,1,0,0|0,0,0]=3 52550 B12R1.375 CCCCOCSCCC1CO1 62a_100000732470_100011995733 [0,2,0,1,0,0|0,0,0]=3 52551 B12R1.375 CCCCOCSCCC1CO1 62a_100011995733_100000732470 [0,2,0,1,0,0|0,0,0]=3 52552 B12R1.375 CCCCSCCNCC1CC1 2230a_100025743550_100000742324 [0,2,0,1,0,0|0,1,0]=4 52553 B12R1.375 CCCCSCCNCC1CC1 269862a_100025743550_100000741477 [0,2,0,1,0,0|0,1,0]=4 52554 B12R1.375 CCCCSCCNCC1CO1 2230a_100025743550_100011216344 [0,2,0,1,0,0|0,1,0]=4 52555 B12R1.375 CCCCSCCOCC1CC1 34a_200000230436_100000742324 [0,2,0,1,0,0|0,0,0]=3 52556 B12R1.375 CCCCSCCOCC1CC1 7a_200000230436_100000742324 [0,2,0,1,0,0|0,0,0]=3 52557 B12R1.375 CCCCSCCOCC1CO1 34a_200000230436_102125554688 [0,2,0,1,0,0|0,1,0]=4 52558 B12R1.375 CCCCSCCOCC1CO1 7a_200000230436_102125554688 [0,2,0,1,0,0|0,1,0]=4 52559 B12R1.375 CCCCSCCOCC1CS1 7a_200000230436_100000031435 [0,2,0,1,0,0|0,1,0]=4 52560 B12R1.375 CCCCSCCOC[C@@H]1CO1 7a_200000230436_100000745022 [0,2,0,1,0,0|0,1,0]=4 52561 B12R1.375 CCCOCCCNCC1CC1 2230a_100011217757_100000742324 [0,2,0,1,0,0|1,0,0]=4 52562 B12R1.375 CCCOCCCNCC1CC1 269862a_100011217757_100000741477 [0,2,0,1,0,0|1,0,0]=4 52563 B12R1.375 CCCOCCCNCC1CC1 34a_100011217757_100000742324 [0,2,0,1,0,0|1,0,0]=4 52564 B12R1.375 CCCOCCNCCC1CC1 2230a_100161115042_100000694398 [0,2,0,1,0,0|1,0,0]=4 52565 B12R1.375 CCCOCCNCCC1CC1 34a_100000764129_100011215938 [0,2,0,1,0,0|1,0,0]=4 52566 B12R1.375 CCCOCCNCCC1CC1 34a_100161115042_100000694398 [0,2,0,1,0,0|1,0,0]=4 52567 B12R1.375 CCCOCCNCCC1CO1 2230a_100161115042_100000732470 [0,2,0,1,0,0|1,0,0]=4 52568 B12R1.375 CCCOCCNCCC1CO1 34a_100161115042_100000732470 [0,2,0,1,0,0|1,0,0]=4 52569 B12R1.375 CCCOCCOCCC1CC1 34a_100000752267_100000694398 [0,2,0,1,0,0|0,0,0]=3 52570 B12R1.375 CCCOCCOCCC1CC1 34a_100000754188_100011215938 [0,2,0,1,0,0|0,0,0]=3 52571 B12R1.375 CCCOCCOCCC1CC1 7a_100000752267_100000764125 [0,2,0,1,0,0|0,0,0]=3 52572 B12R1.375 CCCOCCOCCC1CC1 7a_100000754188_100011215938 [0,2,0,1,0,0|0,0,0]=3 52573 B12R1.375 CCCOCCOCCC1CO1 34a_100000752267_100000732470 [0,2,0,1,0,0|0,0,0]=3 52574 B12R1.375 CCCOCCOCCC1CO1 7a_100000752267_100000732470 [0,2,0,1,0,0|0,0,0]=3 52575 B12R1.375 CCCOCCOCC[C@@H]1CO1 34a_100009820653_100011215938 [0,2,0,1,0,0|0,0,0]=3 52576 B12R1.375 CCCOCCSCCC1CC1 62a_100000764125_100011215938 [0,2,0,1,0,0|0,1,0]=4 52577 B12R1.375 CCCOCCSCCC1CC1 62a_100011215938_100000764125 [0,2,0,1,0,0|0,1,0]=4 52578 B12R1.375 CCCOCCSCCC1CO1 62a_100000732470_100011215938 [0,2,0,1,0,0|0,1,0]=4 52579 B12R1.375 CCCOCCSCCC1CO1 62a_100011215938_100000732470 [0,2,0,1,0,0|0,1,0]=4 52580 B12R1.375 CCCSCCNCCC1CC1 2230a_100020603323_100000694398 [0,2,0,1,0,0|1,0,0]=4 52581 B12R1.375 CCCSCCNCCC1CO1 2230a_100020603323_100000732470 [0,2,0,1,0,0|1,0,0]=4 52582 B12R1.375 CCCSCCOCCC1CC1 34a_200000230433_100000694398 [0,2,0,1,0,0|0,0,0]=3 52583 B12R1.375 CCCSCCOCCC1CC1 7a_200000230433_100000764125 [0,2,0,1,0,0|0,0,0]=3 52584 B12R1.375 CCCSCCOCCC1CO1 34a_200000230433_100000732470 [0,2,0,1,0,0|0,0,0]=3 52585 B12R1.375 CCCSCCOCCC1CO1 7a_200000230433_100000732470 [0,2,0,1,0,0|0,0,0]=3 52586 B12R1.375 CCOCCCCOCC1CO1 34a_100010889290_100000210202 [0,2,0,1,0,0|1,0,0]=4 52587 B12R1.375 CCOCCCCOCC1CO1 7a_100010889290_100000210202 [0,2,0,1,0,0|1,0,0]=4 52588 B12R1.375 CCOCCCNCCC1CC1 2230a_100000210961_100000694398 [0,2,0,1,0,0|1,0,0]=4 52589 B12R1.375 CCOCCCNCCC1CC1 34a_100000210961_100000694398 [0,2,0,1,0,0|1,0,0]=4 52590 B12R1.375 CCOCCCNCCC1CC1 34a_100000764129_100012232248 [0,2,0,1,0,0|1,0,0]=4 52591 B12R1.375 CCOCCCNCCC1CO1 2230a_100000210961_100000732470 [0,2,0,1,0,0|1,0,0]=4 52592 B12R1.375 CCOCCCNCCC1CO1 34a_100000210961_100000732470 [0,2,0,1,0,0|1,0,0]=4 52593 B12R1.375 CCOCCCOCCC1CC1 34a_100000754188_100012232248 [0,2,0,1,0,0|0,0,0]=3 52594 B12R1.375 CCOCCCOCCC1CC1 34a_100000757476_100000694398 [0,2,0,1,0,0|0,0,0]=3 52595 B12R1.375 CCOCCCOCCC1CC1 7a_100000754188_100012232248 [0,2,0,1,0,0|0,0,0]=3 52596 B12R1.375 CCOCCCOCCC1CC1 7a_100000757476_100000764125 [0,2,0,1,0,0|0,0,0]=3 52597 B12R1.375 CCOCCCOCCC1CO1 34a_100000757476_100000732470 [0,2,0,1,0,0|0,0,0]=3 52598 B12R1.375 CCOCCCOCCC1CO1 7a_100000757476_100000732470 [0,2,0,1,0,0|0,0,0]=3 52599 B12R1.375 CCOCCCOCC[C@@H]1CO1 34a_100009820653_100012232248 [0,2,0,1,0,0|0,0,0]=3 52600 B12R1.375 CCOCCCSCCC1CC1 62a_100000764125_100012232248 [0,2,0,1,0,0|0,1,0]=4 52601 B12R1.375 CCOCCCSCCC1CC1 62a_100012232248_100000764125 [0,2,0,1,0,0|0,1,0]=4 52602 B12R1.375 CCOCCCSCCC1CO1 62a_100000732470_100012232248 [0,2,0,1,0,0|0,1,0]=4 52603 B12R1.375 CCOCCCSCCC1CO1 62a_100012232248_100000732470 [0,2,0,1,0,0|0,1,0]=4 52604 B12R1.375 CCOCCNCCCC1CO1 2230a_102516460346_100000733510 [0,2,0,1,0,0|1,0,0]=4 52605 B12R1.375 CCOCCNCCCC1CO1 34a_102516460346_100000733510 [0,2,0,1,0,0|1,0,0]=4 52606 B12R1.375 CCOCCOCC#CC1CC1 34a_100000083941_100000210147 [0,2,0,1,0,0|0,0,1]=4 52607 B12R1.375 CCOCCOCC#CC1CC1 34a_100000210136_100009895102 [0,2,0,1,0,0|0,0,1]=4 52608 B12R1.375 CCOCCOCC#CC1CC1 7a_100000083941_100011215890 [0,2,0,1,0,0|0,0,1]=4 52609 B12R1.375 CCOCCOCC#CC1CC1 7a_100000210136_100009895102 [0,2,0,1,0,0|0,0,1]=4 52610 B12R1.375 CCOCCOCCCC1CO1 34a_100000210136_100000733510 [0,2,0,1,0,0|0,0,0]=3 52611 B12R1.375 CCOCCOCCCC1CO1 7a_100000210136_100000733510 [0,2,0,1,0,0|0,0,0]=3 52612 B12R1.375 CCOCCOCCNC1CC1 34a_100000212008_100011211534 [0,2,0,1,0,0|0,0,0]=3 52613 B12R1.375 CCOCCOCCNC1CC1 34a_100000738766_100000210147 [0,2,0,1,0,0|0,0,0]=3 52614 B12R1.375 CCOCCOCCNC1CC1 34a_100102712874_100000211595 [0,2,0,1,0,0|0,0,0]=3 52615 B12R1.375 CCOCCOCCOC1CC1 34a_100000210240_100000211595 [0,2,0,1,0,0|0,0,0]=3 52616 B12R1.375 CCOCCOCCSC1CC1 62a_100011211534_100000211595 [0,2,0,1,0,0|0,0,0]=3 52617 B12R1.375 CCOCCSCCCC1CO1 62a_100000210147_100000733510 [0,2,0,1,0,0|0,1,0]=4 52618 B12R1.375 CCOCCSCCCC1CO1 62a_100000733510_100011215890 [0,2,0,1,0,0|0,1,0]=4 52619 B12R1.375 CCSCCCOCCC1CC1 34a_100011216438_100000694398 [0,2,0,1,0,0|0,0,0]=3 52620 B12R1.375 CCSCCCOCCC1CC1 7a_100011216438_100000764125 [0,2,0,1,0,0|0,0,0]=3 52621 B12R1.375 CCSCCCOCCC1CO1 34a_100011216438_100000732470 [0,2,0,1,0,0|0,0,0]=3 52622 B12R1.375 CCSCCCOCCC1CO1 7a_100011216438_100000732470 [0,2,0,1,0,0|0,0,0]=3 52623 B12R1.375 CCSCCNCCCC1CO1 2230a_100000106463_100000733510 [0,2,0,1,0,0|1,0,0]=4 52624 B12R1.375 CCSCCOCC#CC1CC1 34a_100000083941_100000757381 [0,2,0,1,0,0|0,0,1]=4 52625 B12R1.375 CCSCCOCC#CC1CC1 34a_100000212035_100009895102 [0,2,0,1,0,0|0,0,1]=4 52626 B12R1.375 CCSCCOCC#CC1CC1 7a_100000083941_100000757381 [0,2,0,1,0,0|0,0,1]=4 52627 B12R1.375 CCSCCOCC#CC1CC1 7a_100000212035_100009895102 [0,2,0,1,0,0|0,0,1]=4 52628 B12R1.375 CCSCCOCCCC1CO1 34a_100000212035_100000733510 [0,2,0,1,0,0|0,0,0]=3 52629 B12R1.375 CCSCCOCCCC1CO1 7a_100000212035_100000733510 [0,2,0,1,0,0|0,0,0]=3 52630 B12R1.375 CCSCCOCCNC1CC1 34a_100000738766_100000757381 [0,2,0,1,0,0|0,0,0]=3 52631 B12R1.375 CCSCCSCCCC1CO1 62a_100000733510_100000757381 [0,2,0,1,0,0|0,1,0]=4 52632 B12R1.375 CCSCCSCCCC1CO1 62a_100000757381_100000733510 [0,2,0,1,0,0|0,1,0]=4 52633 B12R1.375 CNCCCCCOCC1CC1 34a_100000722520_100000742324 [0,2,0,1,0,0|0,0,0]=3 52634 B12R1.375 CNCCCCCOCC1CO1 34a_100000722520_102125554688 [0,2,0,1,0,0|1,0,0]=4 52635 B12R1.375 CNCCCOCC#CC1CC1 34a_100000213112_100009895102 [0,2,0,1,0,0|0,0,1]=4 52636 B12R1.375 CNCCCOCCCC1CO1 34a_100000213112_100000733510 [0,2,0,1,0,0|0,0,0]=3 52637 B12R1.375 CNCCOCCOCC1CC1 34a_100000228057_100000742324 [0,2,0,1,0,0|0,0,0]=3 52638 B12R1.375 CNCCOCCOCC1CO1 34a_100000228057_102125554688 [0,2,0,1,0,0|1,0,0]=4 52639 B12R1.375 COCCCCCCNC1CC1 34a_100000212008_100011998445 [0,2,0,1,0,0|1,0,0]=4 52640 B12R1.375 COCCCCCCOC1CC1 34a_200012092642_100000211595 [0,2,0,1,0,0|1,0,0]=4 52641 B12R1.375 COCCCCCCSC1CC1 62a_100011998445_100000211595 [0,2,0,1,0,0|1,0,0]=4 52642 B12R1.375 COCCCCCNCC1CC1 2230a_100000747528_100000742324 [0,2,0,1,0,0|1,0,0]=4 52643 B12R1.375 COCCCCCNCC1CC1 269862a_100000747528_100000741477 [0,2,0,1,0,0|1,0,0]=4 52644 B12R1.375 COCCCCCNCC1CC1 34a_100000747528_100000742324 [0,2,0,1,0,0|1,0,0]=4 52645 B12R1.375 COCCCCNCCC1CC1 34a_100000764129_100000755781 [0,2,0,1,0,0|1,0,0]=4 52646 B12R1.375 COCCCCOCCC1CC1 34a_100000740925_100000694398 [0,2,0,1,0,0|0,0,0]=3 52647 B12R1.375 COCCCCOCCC1CC1 34a_100000754188_100000755781 [0,2,0,1,0,0|0,0,0]=3 52648 B12R1.375 COCCCCOCCC1CC1 7a_100000754188_100000730899 [0,2,0,1,0,0|0,0,0]=3 52649 B12R1.375 COCCCCOCCC1CO1 34a_100000740925_100000732470 [0,2,0,1,0,0|0,0,0]=3 52650 B12R1.375 COCCCCOCC[C@@H]1CO1 34a_100009820653_100000755781 [0,2,0,1,0,0|0,0,0]=3 52651 B12R1.375 COCCCCSCCC1CC1 62a_100000730899_100000764125 [0,2,0,1,0,0|0,1,0]=4 52652 B12R1.375 COCCCCSCCC1CC1 62a_100000764125_100000730899 [0,2,0,1,0,0|0,1,0]=4 52653 B12R1.375 COCCCCSCCC1CO1 62a_100000730899_100000732470 [0,2,0,1,0,0|0,1,0]=4 52654 B12R1.375 COCCCCSCCC1CO1 62a_100000732470_100000730899 [0,2,0,1,0,0|0,1,0]=4 52655 B12R1.375 COCCCNCCCC1CO1 34a_100150723488_100000733510 [0,2,0,1,0,0|1,0,0]=4 52656 B12R1.375 COCCCOCC#CC1CC1 34a_100000083941_100000740836 [0,2,0,1,0,0|0,0,1]=4 52657 B12R1.375 COCCCOCC#CC1CC1 34a_100000740835_100009895102 [0,2,0,1,0,0|0,0,1]=4 52658 B12R1.375 COCCCOCC#CC1CC1 7a_100000083941_100000740836 [0,2,0,1,0,0|0,0,1]=4 52659 B12R1.375 COCCCOCCCC1CO1 34a_100000740835_100000733510 [0,2,0,1,0,0|0,0,0]=3 52660 B12R1.375 COCCCOCCNC1CC1 34a_100000738766_100000740836 [0,2,0,1,0,0|0,0,0]=3 52661 B12R1.375 COCCCSCCCC1CO1 62a_100000709357_100000733510 [0,2,0,1,0,0|0,1,0]=4 52662 B12R1.375 COCCCSCCCC1CO1 62a_100000733510_100000709357 [0,2,0,1,0,0|0,1,0]=4 52663 B12R1.375 COCCOCCCNC1CC1 34a_100000206027_100000211595 [0,2,0,1,0,0|1,0,0]=4 52664 B12R1.375 COCCOCCCNC1CC1 34a_100000212008_100011216529 [0,2,0,1,0,0|1,0,0]=4 52665 B12R1.375 COCCOCCCSC1CC1 62a_100011216529_100000211595 [0,2,0,1,0,0|1,0,0]=4 52666 B12R1.375 COCCOCCNCC1CC1 2230a_100000735609_100000695917 [0,2,0,1,0,0|1,0,0]=4 52667 B12R1.375 COCCOCCNCC1CC1 2230a_100000745349_100000742324 [0,2,0,1,0,0|1,0,0]=4 52668 B12R1.375 COCCOCCNCC1CC1 269862a_100000745349_100000741477 [0,2,0,1,0,0|1,0,0]=4 52669 B12R1.375 COCCOCCNCC1CC1 34a_100000735609_100000695917 [0,2,0,1,0,0|1,0,0]=4 52670 B12R1.375 COCCOCCNCC1CC1 34a_100000745349_100000742324 [0,2,0,1,0,0|1,0,0]=4 52671 B12R1.375 COCCOCCNCC1CO1 2230a_100000745349_100011216344 [0,2,0,1,0,0|1,0,0]=4 52672 B12R1.375 COCCOCCNCC1CO1 34a_100000745349_102125554688 [0,2,0,1,0,0|1,0,0]=4 52673 B12R1.375 COCCOCCOCC1CC1 34a_100000211283_100000695917 [0,2,0,1,0,0|0,0,0]=3 52674 B12R1.375 COCCOCCOCC1CC1 34a_100011215163_100000742324 [0,2,0,1,0,0|0,0,0]=3 52675 B12R1.375 COCCOCCOCC1CC1 7a_100011215163_100000742324 [0,2,0,1,0,0|0,0,0]=3 52676 B12R1.375 COCCOCCOCC1CO1 34a_100011215163_102125554688 [0,2,0,1,0,0|1,0,0]=4 52677 B12R1.375 COCCOCCOCC1CO1 7a_100011215163_102125554688 [0,2,0,1,0,0|1,0,0]=4 52678 B12R1.375 COCCOCCOCC1CS1 7a_100011215163_100000031435 [0,2,0,1,0,0|1,0,0]=4 52679 B12R1.375 COCCOCCOC[C@@H]1CO1 34a_100000757423_100000695917 [0,2,0,1,0,0|1,0,0]=4 52680 B12R1.375 COCCOCCOC[C@@H]1CO1 7a_100011215163_100000745022 [0,2,0,1,0,0|1,0,0]=4 52681 B12R1.375 COCCOCCSCC1CC1 62a_100000695917_100000742324 [0,2,0,1,0,0|0,1,0]=4 52682 B12R1.375 COCCOCCSCC1CC1 62a_100000756562_100000695917 [0,2,0,1,0,0|0,1,0]=4 52683 B12R1.375 COCCOCCSCC1CO1 62a_100000695917_102125554688 [0,2,0,1,0,0|1,0,0]=4 52684 B12R1.375 COCCOCCSCC1CO1 62a_102125554688_100000695917 [0,2,0,1,0,0|1,0,0]=4 52685 B12R1.375 COCCOCCSCC1CS1 62a_100000031435_100000695917 [0,2,0,1,0,0|1,0,0]=4 52686 B12R1.375 COCCOCCSCC1CS1 62a_100000695917_100000031435 [0,2,0,1,0,0|1,0,0]=4 52687 B12R1.375 COCCOCCSC[C@@H]1CO1 62a_100000695917_100000745022 [0,2,0,1,0,0|1,0,0]=4 52688 B12R1.375 COCCOCCSC[C@@H]1CO1 62a_100000745022_100000695917 [0,2,0,1,0,0|1,0,0]=4 52689 B12R1.375 COCCOCSCCC1CC1 62a_100000231047_100000764125 [0,2,0,1,0,0|0,1,0]=4 52690 B12R1.375 COCCOCSCCC1CC1 62a_100000764125_100000231047 [0,2,0,1,0,0|0,1,0]=4 52691 B12R1.375 COCCOCSCCC1CO1 62a_100000231047_100000732470 [0,2,0,1,0,0|1,0,0]=4 52692 B12R1.375 COCCOCSCCC1CO1 62a_100000732470_100000231047 [0,2,0,1,0,0|1,0,0]=4 52693 B12R1.375 CSCCCCOCCC1CC1 34a_100011217163_100000694398 [0,2,0,1,0,0|0,0,0]=3 52694 B12R1.375 CSCCCCOCCC1CC1 7a_100011217163_100000764125 [0,2,0,1,0,0|0,0,0]=3 52695 B12R1.375 CSCCCCOCCC1CO1 34a_100011217163_100000732470 [0,2,0,1,0,0|0,0,0]=3 52696 B12R1.375 CSCCCCOCCC1CO1 7a_100011217163_100000732470 [0,2,0,1,0,0|0,0,0]=3 52697 B12R1.375 CSCCCNCCCC1CO1 2230a_100000749238_100000733510 [0,2,0,1,0,0|1,0,0]=4 52698 B12R1.375 CSCCCOCC#CC1CC1 34a_100000690336_100009895102 [0,2,0,1,0,0|0,0,1]=4 52699 B12R1.375 CSCCCOCC#CC1CC1 7a_100000690336_100009895102 [0,2,0,1,0,0|0,0,1]=4 52700 B12R1.375 CSCCCOCCCC1CO1 34a_100000690336_100000733510 [0,2,0,1,0,0|0,0,0]=3 52701 B12R1.375 CSCCCOCCCC1CO1 7a_100000690336_100000733510 [0,2,0,1,0,0|0,0,0]=3 52702 B12R1.375 ClCCCCCCOCC1CC1 34a_100000766143_100000742324 [0,2,0,1,0,0|0,0,0]=3 52703 B12R1.375 ClCCCCCCOCC1CC1 7a_100000766143_100000742324 [0,2,0,1,0,0|0,0,0]=3 52704 B12R1.375 ClCCCCCCOCC1CO1 34a_100000766143_102125554688 [0,2,0,1,0,0|1,0,0]=4 52705 B12R1.375 ClCCCCCCOCC1CO1 7a_100000766143_102125554688 [0,2,0,1,0,0|1,0,0]=4 52706 B12R1.375 ClCCCCCCOCC1CS1 7a_100000766143_100000031435 [0,2,0,1,0,0|1,0,0]=4 52707 B12R1.375 ClCCCCCCOC[C@@H]1CO1 7a_100000766143_100000745022 [0,2,0,1,0,0|1,0,0]=4 52708 B12R1.375 ClCCCCCOCCC1CC1 34a_100000746330_100000694398 [0,2,0,1,0,0|0,0,0]=3 52709 B12R1.375 ClCCCCCOCCC1CC1 7a_100000746330_100000764125 [0,2,0,1,0,0|0,0,0]=3 52710 B12R1.375 ClCCCCCOCCC1CO1 34a_100000746330_100000732470 [0,2,0,1,0,0|0,0,0]=3 52711 B12R1.375 ClCCCCCOCCC1CO1 7a_100000746330_100000732470 [0,2,0,1,0,0|0,0,0]=3 52712 B12R1.375 ClCCCCOCC#CC1CC1 34a_100000210776_100009895102 [0,2,0,1,0,0|0,0,1]=4 52713 B12R1.375 ClCCCCOCC#CC1CC1 7a_100000210776_100009895102 [0,2,0,1,0,0|0,0,1]=4 52714 B12R1.375 ClCCCCOCCCC1CO1 34a_100000210776_100000733510 [0,2,0,1,0,0|0,0,0]=3 52715 B12R1.375 ClCCCCOCCCC1CO1 7a_100000210776_100000733510 [0,2,0,1,0,0|0,0,0]=3 52716 B12R1.375 ClCCOCCOCCC1CC1 34a_100011215305_100000694398 [0,2,0,1,0,0|0,0,0]=3 52717 B12R1.375 ClCCOCCOCCC1CC1 7a_100011215305_100000764125 [0,2,0,1,0,0|0,0,0]=3 52718 B12R1.375 ClCCOCCOCCC1CO1 34a_100011215305_100000732470 [0,2,0,1,0,0|1,0,0]=4 52719 B12R1.375 ClCCOCCOCCC1CO1 7a_100011215305_100000732470 [0,2,0,1,0,0|1,0,0]=4 52720 B12R1.375 FCCCCCCNCC1CC1 2230a_100000735609_100015922095 [0,2,0,1,0,0|1,0,0]=4 52721 B12R1.375 FCCCCCCNCC1CC1 34a_100000735609_100015922095 [0,2,0,1,0,0|1,0,0]=4 52722 B12R1.375 FCCCCCCOCC1CC1 34a_100000211283_100015922095 [0,2,0,1,0,0|0,0,0]=3 52723 B12R1.375 FCCCCCCOCC1CC1 34a_100000732779_100000742324 [0,2,0,1,0,0|0,0,0]=3 52724 B12R1.375 FCCCCCCOCC1CC1 7a_100000732779_100000742324 [0,2,0,1,0,0|0,0,0]=3 52725 B12R1.375 FCCCCCCOCC1CO1 34a_100000732779_102125554688 [0,2,0,1,0,0|1,0,0]=4 52726 B12R1.375 FCCCCCCOCC1CO1 7a_100000732779_102125554688 [0,2,0,1,0,0|1,0,0]=4 52727 B12R1.375 FCCCCCCOCC1CS1 7a_100000732779_100000031435 [0,2,0,1,0,0|1,0,0]=4 52728 B12R1.375 FCCCCCCOC[C@@H]1CO1 34a_100000757423_100015922095 [0,2,0,1,0,0|1,0,0]=4 52729 B12R1.375 FCCCCCCOC[C@@H]1CO1 7a_100000732779_100000745022 [0,2,0,1,0,0|1,0,0]=4 52730 B12R1.375 FCCCCCCSCC1CC1 62a_100000756562_100015922095 [0,2,0,1,0,0|0,1,0]=4 52731 B12R1.375 FCCCCCCSCC1CC1 62a_100015922095_100000742324 [0,2,0,1,0,0|0,1,0]=4 52732 B12R1.375 FCCCCCNCCC1CC1 34a_100000764129_100000729378 [0,2,0,1,0,0|1,0,0]=4 52733 B12R1.375 FCCCCCOCCC1CC1 34a_100000754188_100000729378 [0,2,0,1,0,0|0,0,0]=3 52734 B12R1.375 FCCCCCOCCC1CC1 7a_100000754188_100000729378 [0,2,0,1,0,0|0,0,0]=3 52735 B12R1.375 FCCCCCOCC[C@@H]1CO1 34a_100009820653_100000729378 [0,2,0,1,0,0|0,0,0]=3 52736 B12R1.375 FCCCCCSCCC1CC1 62a_100000729378_100000764125 [0,2,0,1,0,0|0,1,0]=4 52737 B12R1.375 FCCCCCSCCC1CC1 62a_100000764125_100000729378 [0,2,0,1,0,0|0,1,0]=4 52738 B12R1.375 FCCCCCSCCC1CO1 62a_100000729378_100000732470 [0,2,0,1,0,0|0,1,0]=4 52739 B12R1.375 FCCCCCSCCC1CO1 62a_100000732470_100000729378 [0,2,0,1,0,0|0,1,0]=4 52740 B12R1.375 FCCCCOCC#CC1CC1 34a_100000083941_100000729493 [0,2,0,1,0,0|0,0,1]=4 52741 B12R1.375 FCCCCOCC#CC1CC1 34a_100011995726_100009895102 [0,2,0,1,0,0|0,0,1]=4 52742 B12R1.375 FCCCCOCC#CC1CC1 7a_100000083941_100000729493 [0,2,0,1,0,0|0,0,1]=4 52743 B12R1.375 FCCCCOCC#CC1CC1 7a_100011995726_100009895102 [0,2,0,1,0,0|0,0,1]=4 52744 B12R1.375 FCCCCOCCCC1CO1 34a_100011995726_100000733510 [0,2,0,1,0,0|0,0,0]=3 52745 B12R1.375 FCCCCOCCCC1CO1 7a_100011995726_100000733510 [0,2,0,1,0,0|0,0,0]=3 52746 B12R1.375 FCCCCOCCNC1CC1 34a_100000738766_100000729493 [0,2,0,1,0,0|0,0,0]=3 52747 B12R1.375 FCCCCSCCCC1CO1 62a_100000729493_100000733510 [0,2,0,1,0,0|0,1,0]=4 52748 B12R1.375 FCCCCSCCCC1CO1 62a_100000733510_100000729493 [0,2,0,1,0,0|0,1,0]=4 52749 B12R1.375 FCCOCCOCCC1CC1 34a_200015357709_100000694398 [0,2,0,1,0,0|0,0,0]=3 52750 B12R1.375 FCCOCCOCCC1CC1 7a_200015357709_100000764125 [0,2,0,1,0,0|0,0,0]=3 52751 B12R1.375 FCCOCCOCCC1CO1 34a_200015357709_100000732470 [0,2,0,1,0,0|1,0,0]=4 52752 B12R1.375 FCCOCCOCCC1CO1 7a_200015357709_100000732470 [0,2,0,1,0,0|1,0,0]=4 52753 B12R1.375 FCOCCCCOCC1CO1 34a_100010889290_100015361967 [0,2,0,1,0,0|1,0,0]=4 52754 B12R1.375 FCOCCCCOCC1CO1 7a_100010889290_100015361967 [0,2,0,1,0,0|1,0,0]=4 52755 B12R1.375 ICCCCCOCCC1CC1 34a_200012148887_100000694398 [0,2,0,1,0,0|0,0,0]=3 52756 B12R1.375 ICCCCCOCCC1CC1 7a_200012148887_100000764125 [0,2,0,1,0,0|0,0,0]=3 52757 B12R1.375 ICCCCCOCCC1CO1 34a_200012148887_100000732470 [0,2,0,1,0,0|0,0,0]=3 52758 B12R1.375 ICCCCCOCCC1CO1 7a_200012148887_100000732470 [0,2,0,1,0,0|0,0,0]=3 52759 B12R1.375 ICCCCOCC#CC1CC1 34a_200012148704_100009895102 [0,2,0,1,0,0|0,0,1]=4 52760 B12R1.375 ICCCCOCCCC1CO1 34a_200012148704_100000733510 [0,2,0,1,0,0|0,0,0]=3 52761 B12R1.375 ICCOCCOCCC1CC1 34a_100012149058_100000694398 [0,2,0,1,0,0|0,0,0]=3 52762 B12R1.375 ICCOCCOCCC1CC1 7a_100012149058_100000764125 [0,2,0,1,0,0|0,0,0]=3 52763 B12R1.375 ICCOCCOCCC1CO1 34a_100012149058_100000732470 [0,2,0,1,0,0|1,0,0]=4 52764 B12R1.375 ICCOCCOCCC1CO1 7a_100012149058_100000732470 [0,2,0,1,0,0|1,0,0]=4 52765 B12R1.375 N#CCCCCCNCC1CC1 2230a_100000735609_100009813376 [0,2,0,1,0,0|1,0,0]=4 52766 B12R1.375 N#CCCCCCSCC1CC1 62a_100000756562_100009813376 [0,2,0,1,0,0|0,1,0]=4 52767 B12R1.375 N#CCCCCCSCC1CC1 62a_100009813376_100000742324 [0,2,0,1,0,0|0,1,0]=4 52768 B12R1.375 N#CCCCCOCCC1CC1 7a_100000754188_100000211819 [0,2,0,1,0,0|0,0,0]=3 52769 B12R1.375 N#CCCCCSCCC1CC1 62a_100000764125_100000211819 [0,2,0,1,0,0|0,1,0]=4 52770 B12R1.375 N#CCCCCSCCC1CC1 62a_100011219923_100000764125 [0,2,0,1,0,0|0,1,0]=4 52771 B12R1.375 N#CCOCCOCCC1CC1 7a_100000754188_200000047693 [0,2,0,1,0,0|0,0,1]=4 52772 B12R1.375 NCCCCCCCOC1CC1 34a_100011996573_100000211595 [0,2,0,1,0,0|1,0,0]=4 52773 B12R1.375 NCCCCCCOCC1CC1 34a_100000686447_100000742324 [0,2,0,1,0,0|0,0,0]=3 52774 B12R1.375 NCCCCCCOCC1CO1 34a_100000686447_102125554688 [0,2,0,1,0,0|1,0,0]=4 52775 B12R1.375 NCCCCCOCCC1CC1 34a_100000762737_100000694398 [0,2,0,1,0,0|0,0,0]=3 52776 B12R1.375 NCCCCCOCCC1CO1 34a_100000762737_100000732470 [0,2,0,1,0,0|0,0,0]=3 52777 B12R1.375 NCCCCOCC#CC1CC1 34a_100000750430_100009895102 [0,2,0,1,0,0|0,0,1]=4 52778 B12R1.375 NCCCCOCCCC1CO1 34a_100000750430_100000733510 [0,2,0,1,0,0|0,0,0]=3 52779 B12R1.375 NCCCOCCCOC1CC1 34a_100011310245_100000211595 [0,2,0,1,0,0|1,0,0]=4 52780 B12R1.375 NCCOCCOCCC1CC1 34a_100000211614_100000694398 [0,2,0,1,0,0|0,0,0]=3 52781 B12R1.375 NCCOCCOCCC1CO1 34a_100000211614_100000732470 [0,2,0,1,0,0|1,0,0]=4 52782 B12R1.375 O=CCCCCCNCC1CC1 2230a_100000735609_100000139337 [0,2,0,1,0,0|1,0,0]=4 52783 B12R1.375 O=CCCCCCSCC1CC1 62a_100000139337_100000742324 [0,2,0,1,0,0|0,1,0]=4 52784 B12R1.375 O=CCCCCCSCC1CC1 62a_100000756562_100000139337 [0,2,0,1,0,0|0,1,0]=4 52785 B12R1.375 O=CCCCCOCCC1CC1 7a_100000754188_100000139335 [0,2,0,1,0,0|0,0,0]=3 52786 B12R1.375 O=CCCCCSCCC1CC1 62a_100000139335_100000764125 [0,2,0,1,0,0|0,1,0]=4 52787 B12R1.375 O=CCCCCSCCC1CC1 62a_100000764125_100000139335 [0,2,0,1,0,0|0,1,0]=4 52788 B12R1.375 OCCCCCCCNC1CC1 34a_100000212008_100000760002 [0,2,0,1,0,0|1,0,0]=4 52789 B12R1.375 OCCCCCCCNC1CC1 34a_100011996573_100000211595 [0,2,0,1,0,0|1,0,0]=4 52790 B12R1.375 OCCCCCCCSC1CC1 62a_100000760002_100000211595 [0,2,0,1,0,0|1,0,0]=4 52791 B12R1.375 OCCCCCCNCC1CC1 2230a_100000686447_100000742324 [0,2,0,1,0,0|1,0,0]=4 52792 B12R1.375 OCCCCCCNCC1CC1 2230a_100000735609_100000766143 [0,2,0,1,0,0|1,0,0]=4 52793 B12R1.375 OCCCCCCNCC1CC1 269862a_100000686447_100000741477 [0,2,0,1,0,0|1,0,0]=4 52794 B12R1.375 OCCCCCCNCC1CC1 34a_100000686447_100000742324 [0,2,0,1,0,0|1,0,0]=4 52795 B12R1.375 OCCCCCCNCC1CC1 34a_100000735609_100000766143 [0,2,0,1,0,0|1,0,0]=4 52796 B12R1.375 OCCCCCCOCC1CC1 34a_100000211283_100000766143 [0,2,0,1,0,0|0,0,0]=3 52797 B12R1.375 OCCCCCCOC[C@@H]1CO1 34a_100000757423_100000766143 [0,2,0,1,0,0|1,0,0]=4 52798 B12R1.375 OCCCCCCSCC1CC1 62a_100000756562_100000766143 [0,2,0,1,0,0|0,1,0]=4 52799 B12R1.375 OCCCCCCSCC1CC1 62a_100000766143_100000742324 [0,2,0,1,0,0|0,1,0]=4 52800 B12R1.375 OCCCCCNCCC1CC1 2230a_100000762737_100000694398 [0,2,0,1,0,0|1,0,0]=4 52801 B12R1.375 OCCCCCNCCC1CC1 34a_100000762737_100000694398 [0,2,0,1,0,0|1,0,0]=4 52802 B12R1.375 OCCCCCNCCC1CC1 34a_100000764129_100000746330 [0,2,0,1,0,0|1,0,0]=4 52803 B12R1.375 OCCCCCNCCC1CO1 2230a_100000762737_100000732470 [0,2,0,1,0,0|1,0,0]=4 52804 B12R1.375 OCCCCCNCCC1CO1 34a_100000762737_100000732470 [0,2,0,1,0,0|1,0,0]=4 52805 B12R1.375 OCCCCCOCCC1CC1 34a_100000754188_100000746330 [0,2,0,1,0,0|0,0,0]=3 52806 B12R1.375 OCCCCCOCCC1CC1 7a_100000754188_100000746330 [0,2,0,1,0,0|0,0,0]=3 52807 B12R1.375 OCCCCCOCC[C@@H]1CO1 34a_100009820653_100000746330 [0,2,0,1,0,0|0,0,0]=3 52808 B12R1.375 OCCCCCSCCC1CC1 62a_100000746330_100000764125 [0,2,0,1,0,0|0,1,0]=4 52809 B12R1.375 OCCCCCSCCC1CC1 62a_100000764125_100000746330 [0,2,0,1,0,0|0,1,0]=4 52810 B12R1.375 OCCCCCSCCC1CO1 62a_100000732470_100000746330 [0,2,0,1,0,0|0,1,0]=4 52811 B12R1.375 OCCCCCSCCC1CO1 62a_100000746330_100000732470 [0,2,0,1,0,0|0,1,0]=4 52812 B12R1.375 OCCCCNCCCC1CO1 2230a_100000750430_100000733510 [0,2,0,1,0,0|1,0,0]=4 52813 B12R1.375 OCCCCNCCCC1CO1 34a_100000750430_100000733510 [0,2,0,1,0,0|1,0,0]=4 52814 B12R1.375 OCCCCOCC#CC1CC1 34a_100000083941_100011216708 [0,2,0,1,0,0|0,0,1]=4 52815 B12R1.375 OCCCCOCC#CC1CC1 7a_100000083941_100000210776 [0,2,0,1,0,0|0,0,1]=4 52816 B12R1.375 OCCCCOCCNC1CC1 34a_100000738766_100011216708 [0,2,0,1,0,0|0,0,0]=3 52817 B12R1.375 OCCCCSCCCC1CO1 62a_100000210776_100000733510 [0,2,0,1,0,0|0,1,0]=4 52818 B12R1.375 OCCCCSCCCC1CO1 62a_100000733510_100000210776 [0,2,0,1,0,0|0,1,0]=4 52819 B12R1.375 OCCCOCCCNC1CC1 34a_100011310245_100000211595 [0,2,0,1,0,0|1,0,0]=4 52820 B12R1.375 OCCOCCNCCC1CC1 2230a_100000211614_100000694398 [0,2,0,1,0,0|1,0,0]=4 52821 B12R1.375 OCCOCCNCCC1CC1 34a_100000211614_100000694398 [0,2,0,1,0,0|1,0,0]=4 52822 B12R1.375 OCCOCCNCCC1CC1 34a_100000764129_100000692535 [0,2,0,1,0,0|1,0,0]=4 52823 B12R1.375 OCCOCCOCCC1CC1 34a_100000754188_100000692535 [0,2,0,1,0,0|0,0,0]=3 52824 B12R1.375 OCCOCCOCCC1CC1 7a_100000754188_100011215305 [0,2,0,1,0,0|0,0,0]=3 52825 B12R1.375 OCCOCCOCC[C@@H]1CO1 34a_100009820653_100000692535 [0,2,0,1,0,0|1,0,0]=4 52826 B12R1.375 OCCOCCSCCC1CC1 62a_100000764125_100011215305 [0,2,0,1,0,0|0,1,0]=4 52827 B12R1.375 OCCOCCSCCC1CC1 62a_100011215305_100000764125 [0,2,0,1,0,0|0,1,0]=4 52828 B12R1.375 OCCSCCNCCC1CC1 2230a_100011219999_100000694398 [0,2,0,1,0,0|1,0,0]=4 52829 B12R1.384 CCCCN1CCOCC1(C)C 2230a_100000724681_100000210211 [0,2,0,1,0,0|1,0,0]=4 52830 B12R1.384 CCCCN1CCOCC1(C)C 269982a_100000724681_100000210211 [0,2,0,1,0,0|1,0,0]=4 52831 B12R1.384 CCCCN1CCOCC1(C)C 34a_100000724681_100000210210 [0,2,0,1,0,0|1,0,0]=4 52832 B12R1.384 CCCNC1CCCCC1(C)C 269862a_100020643023_100000031690 [0,2,0,1,0,0|1,0,0]=4 52833 B12R1.386 CCCCC1CCCC1N(C)C 270004a_100102631434_100000750825 [0,2,0,1,0,0|1,0,0]=4 52834 B12R1.386 CCCCN1CCCC1C(C)C 2230a_100000762757_100000210211 [0,2,0,1,0,0|1,0,0]=4 52835 B12R1.386 CCCCN1CCCC1C(C)C 269982a_100000762757_100000210211 [0,2,0,1,0,0|1,0,0]=4 52836 B12R1.386 CCCCN1CCCC1C(C)C 34a_100000762757_100000210210 [0,2,0,1,0,0|1,0,0]=4 52837 B12R1.405 CCN1CCCCCC1C(C)C 2230a_100000697956_100000210202 [0,2,0,1,0,0|1,0,0]=4 52838 B12R1.405 CCN1CCCCCC1C(C)C 269982a_100000697956_100000204670 [0,2,0,1,0,0|1,0,0]=4 52839 B12R1.405 CCN1CCCCCC1C(C)C 34a_100000697956_100000210202 [0,2,0,1,0,0|1,0,0]=4 52840 B12R1.76 CC[C@H]1COCCN1C(C)(C)C 269982a_100016988097_100000210625 [0,2,0,1,0,0|1,0,0]=4 52841 B12R1.76 CC[C@H]1COCCN1C(C)(C)C 34a_100016988097_100000210625 [0,2,0,1,0,0|1,0,0]=4 52842 B12R1.129 C[C@@H]1CCCN1CCC(C)(C)C 2230a_100015189458_100000755188 [0,2,0,1,0,0|1,0,0]=4 52843 B12R1.129 C[C@@H]1CCCN1CCC(C)(C)C 269982a_100015189458_100000755188 [0,2,0,1,0,0|1,0,0]=4 52844 B12R1.129 C[C@@H]1CCCN1CCC(C)(C)C 34a_100015189458_100000755188 [0,2,0,1,0,0|1,0,0]=4 52845 B12R1.129 C[C@@H]1CCCN1CCC(C)(C)O 2230a_100015189458_100000702414 [0,2,0,1,0,0|1,0,0]=4 52846 B12R1.129 C[C@@H]1CCCN1CCC(C)(C)O 34a_100015189458_100000702414 [0,2,0,1,0,0|1,0,0]=4 52847 B12R1.129 C[C@H]1CCCN1CCC(C)(C)C 2230a_100020605311_100000755188 [0,2,0,1,0,0|1,0,0]=4 52848 B12R1.129 C[C@H]1CCCN1CCC(C)(C)C 269982a_100020605311_100000755188 [0,2,0,1,0,0|1,0,0]=4 52849 B12R1.129 C[C@H]1CCCN1CCC(C)(C)O 2230a_100020605311_100000702414 [0,2,0,1,0,0|1,0,0]=4 52850 B12R1.146 CC1CC1COCCC(C)(C)C 34a_100000744939_100000755188 [0,2,0,1,0,0|0,0,0]=3 52851 B12R1.146 CC1CC1COCCC(C)(C)C 7a_100000744939_100000755188 [0,2,0,1,0,0|0,0,0]=3 52852 B12R1.146 CC1CC1COCCC(C)(C)O 34a_100000744939_100000702414 [0,2,0,1,0,0|0,0,0]=3 52853 B12R1.146 CC1CC1COCCC(C)(C)O 7a_100000744939_100000702414 [0,2,0,1,0,0|0,0,0]=3 52854 B12R1.146 CC1CC1COCCC(F)(F)F 34a_100000744939_100011219754 [0,2,0,1,0,0|1,0,0]=4 52855 B12R1.146 CC1CC1COCCC(F)(F)F 7a_100000744939_100011219754 [0,2,0,1,0,0|1,0,0]=4 52856 B12R1.146 CC1CC1COCCS(=O)(=O)C 34a_100000744939_100000731031 [0,2,0,1,0,0|1,0,0]=4 52857 B12R1.146 CC1CC1COCCS(=O)(=O)C 7a_100000744939_100000230027 [0,2,0,1,0,0|1,0,0]=4 52858 B12R1.146 CC1CC1COCC[N+](C)(C)C 34a_100000744939_100000085578 [0,2,0,1,0,0|1,0,0]=4 52859 B12R1.146 CC1CC1COCC[N+](C)(C)C 7a_100000744939_100000085578 [0,2,0,1,0,0|1,0,0]=4 52860 B12R1.146 CC1CC1COCC[Si](C)(C)C 34a_100000744939_200000733723 [0,2,0,1,0,0|0,1,0]=4 52861 B12R1.146 CC1CC1COCC[Si](C)(C)C 7a_100000744939_200000733723 [0,2,0,1,0,0|0,1,0]=4 52862 B12R1.207 CC1CCN1CCCC(C)(C)O 269982a_100000755817_100009888830 [0,2,0,1,0,0|1,0,0]=4 52863 B12R1.207 CC1CCN1CCCC(C)(C)O 34a_100000755817_100009888830 [0,2,0,1,0,0|1,0,0]=4 52864 B12R1.546 CC(C)(C)CCNCC1CCC1 2230a_100000738700_100000755188 [0,2,0,1,0,0|1,0,0]=4 52865 B12R1.546 CC(C)(C)CCNCC1CCC1 2230a_100000738805_100000763275 [0,2,0,1,0,0|1,0,0]=4 52866 B12R1.546 CC(C)(C)CCNCC1CCC1 269862a_100000738805_100000753134 [0,2,0,1,0,0|1,0,0]=4 52867 B12R1.546 CC(C)(C)CCNCC1CCC1 34a_100000738700_100000755188 [0,2,0,1,0,0|1,0,0]=4 52868 B12R1.546 CC(C)(C)CCOCC1CCC1 34a_100000760304_100000755188 [0,2,0,1,0,0|0,0,0]=3 52869 B12R1.546 CC(C)(C)CCOCC1CCC1 7a_100000765024_100000763275 [0,2,0,1,0,0|0,0,0]=3 52870 B12R1.546 CC(C)(C)CCOCC1CCO1 34a_100000039022_100000755188 [0,2,0,1,0,0|1,0,0]=4 52871 B12R1.546 CC(C)(C)CCOCC1CCO1 7a_100000765024_100000103362 [0,2,0,1,0,0|1,0,0]=4 52872 B12R1.546 CC(C)(C)CCOCC1CNC1 34a_100016987283_100000755188 [0,2,0,1,0,0|1,0,0]=4 52873 B12R1.546 CC(C)(C)CCOCC1COC1 34a_100000060846_100000755188 [0,2,0,1,0,0|1,0,0]=4 52874 B12R1.546 CC(C)(C)CCOCC1COC1 7a_100000765024_100010264016 [0,2,0,1,0,0|1,0,0]=4 52875 B12R1.546 CC(C)(C)CCSCC1CCC1 62a_100000755188_100000763275 [0,2,0,1,0,0|0,1,0]=4 52876 B12R1.546 CC(C)(C)CCSCC1CCC1 62a_100000763275_100000755188 [0,2,0,1,0,0|0,1,0]=4 52877 B12R1.546 CC(C)(C)OCCOC1CCC1 34a_100000693234_100000749161 [0,2,0,1,0,0|1,0,0]=4 52878 B12R1.546 CC(C)(F)CCNCC1CCC1 2230a_100016253952_100000763275 [0,2,0,1,0,0|1,0,0]=4 52879 B12R1.546 CC(C)(F)CCNCC1CCC1 269862a_100016253952_100000753134 [0,2,0,1,0,0|1,0,0]=4 52880 B12R1.546 CC(C)(O)CCCNC1CCC1 2230a_100000749019_100009888830 [0,2,0,1,0,0|1,0,0]=4 52881 B12R1.546 CC(C)(O)CCCNC1CCC1 34a_100000749019_100009888830 [0,2,0,1,0,0|1,0,0]=4 52882 B12R1.546 CC(C)(O)CCCOC1CCC1 34a_100000748187_100009888830 [0,2,0,1,0,0|0,0,0]=3 52883 B12R1.546 CC(C)(O)CCCOC1CSC1 7a_100000072292_100009888830 [0,2,0,1,0,0|1,0,0]=4 52884 B12R1.546 CC(C)(O)CCCSC1CCC1 62a_100009888830_100000749161 [0,2,0,1,0,0|0,1,0]=4 52885 B12R1.546 CC(C)(O)CCNCC1CCC1 2230a_100000738700_100000702414 [0,2,0,1,0,0|1,0,0]=4 52886 B12R1.546 CC(C)(O)CCNCC1CCC1 269862a_100000707701_100000753134 [0,2,0,1,0,0|1,0,0]=4 52887 B12R1.546 CC(C)(O)CCNCC1CCC1 34a_100000738700_100000702414 [0,2,0,1,0,0|1,0,0]=4 52888 B12R1.546 CC(C)(O)CCOCC1CCC1 34a_100000760304_100000702414 [0,2,0,1,0,0|0,0,0]=3 52889 B12R1.546 CC(C)(O)CCOCC1CCO1 34a_100000039022_100000702414 [0,2,0,1,0,0|1,0,0]=4 52890 B12R1.546 CC(C)(O)CCOCC1CNC1 34a_100016987283_100000702414 [0,2,0,1,0,0|1,0,0]=4 52891 B12R1.546 CC(C)(O)CCOCC1COC1 34a_100000060846_100000702414 [0,2,0,1,0,0|1,0,0]=4 52892 B12R1.546 CC(C)(O)CCSCC1CCC1 62a_100000702414_100000763275 [0,2,0,1,0,0|0,1,0]=4 52893 B12R1.546 CC(C)(O)CCSCC1CCC1 62a_100000763275_100000702414 [0,2,0,1,0,0|0,1,0]=4 52894 B12R1.546 CS(=O)(=O)CCCOC1CCC1 34a_100000689940_100000749161 [0,2,0,1,0,0|1,0,0]=4 52895 B12R1.546 CS(=O)(=O)CCCOC1CCC1 34a_100000748187_100000754308 [0,2,0,1,0,0|1,0,0]=4 52896 B12R1.546 CS(=O)(=O)CCOCC1CCC1 34a_100000211924_100000763275 [0,2,0,1,0,0|1,0,0]=4 52897 B12R1.546 CS(=O)(=O)CCOCC1CCC1 34a_100000760304_100000731031 [0,2,0,1,0,0|1,0,0]=4 52898 B12R1.546 CS(=O)(=O)CCOCC1CCC1 7a_100000211924_100000763275 [0,2,0,1,0,0|1,0,0]=4 52899 B12R1.546 C[N+](C)(C)CCCOC1CCC1 34a_100000748187_100016990835 [0,2,0,1,0,0|1,0,0]=4 52900 B12R1.546 C[N+](C)(C)CCOCC1CCC1 34a_100000760304_100000085578 [0,2,0,1,0,0|1,0,0]=4 52901 B12R1.546 C[N+](C)(C)CCOCC1CCC1 7a_200020618287_100000763275 [0,2,0,1,0,0|1,0,0]=4 52902 B12R1.546 C[Si](C)(C)CCCOC1CCC1 34a_100000748187_100011219597 [0,2,0,1,0,0|0,1,0]=4 52903 B12R1.546 C[Si](C)(C)CCOCC1CCC1 34a_100000760304_200000733723 [0,2,0,1,0,0|0,1,0]=4 52904 B12R1.546 C[Si](C)(C)CCOCC1CCC1 7a_100000039746_100000763275 [0,2,0,1,0,0|0,1,0]=4 52905 B12R1.546 FC(F)(F)CCCOC1CCC1 34a_100000748187_100011215983 [0,2,0,1,0,0|1,0,0]=4 52906 B12R1.546 FC(F)(F)CCCOC1CCC1 34a_100000749235_100000749161 [0,2,0,1,0,0|1,0,0]=4 52907 B12R1.546 FC(F)(F)CCOCC1CCC1 34a_100000752437_100000763275 [0,2,0,1,0,0|1,0,0]=4 52908 B12R1.546 FC(F)(F)CCOCC1CCC1 34a_100000760304_100011219754 [0,2,0,1,0,0|1,0,0]=4 52909 B12R1.547 CC(C)(C)CCNCCC1CC1 2230a_100000738805_100000694398 [0,2,0,1,0,0|1,0,0]=4 52910 B12R1.547 CC(C)(C)CCNCCC1CC1 34a_100000764129_100000755188 [0,2,0,1,0,0|1,0,0]=4 52911 B12R1.547 CC(C)(C)CCOCCC1CC1 34a_100000754188_100000755188 [0,2,0,1,0,0|0,0,0]=3 52912 B12R1.547 CC(C)(C)CCOCCC1CC1 7a_100000754188_100000755188 [0,2,0,1,0,0|0,0,0]=3 52913 B12R1.547 CC(C)(C)CCOCCC1CC1 7a_100000765024_100000764125 [0,2,0,1,0,0|0,0,0]=3 52914 B12R1.547 CC(C)(C)CCOCCC1CO1 7a_100000765024_100000732470 [0,2,0,1,0,0|1,0,0]=4 52915 B12R1.547 CC(C)(C)CCOCC[C@@H]1CO1 34a_100009820653_100000755188 [0,2,0,1,0,0|1,0,0]=4 52916 B12R1.547 CC(C)(C)CCSCCC1CC1 62a_100000755188_100000764125 [0,2,0,1,0,0|0,1,0]=4 52917 B12R1.547 CC(C)(C)CCSCCC1CC1 62a_100000764125_100000755188 [0,2,0,1,0,0|0,1,0]=4 52918 B12R1.547 CC(C)(C)OCCOCC1CC1 34a_100000693234_100000742324 [0,2,0,1,0,0|1,0,0]=4 52919 B12R1.547 CC(C)(C)OCCOCC1CC1 7a_100000693234_100000742324 [0,2,0,1,0,0|1,0,0]=4 52920 B12R1.547 CC(C)(F)CCNCCC1CC1 2230a_100016253952_100000694398 [0,2,0,1,0,0|1,0,0]=4 52921 B12R1.547 CC(C)(O)CCCNCC1CC1 2230a_100000735609_100009888830 [0,2,0,1,0,0|1,0,0]=4 52922 B12R1.547 CC(C)(O)CCCNCC1CC1 34a_100000735609_100009888830 [0,2,0,1,0,0|1,0,0]=4 52923 B12R1.547 CC(C)(O)CCCOCC1CC1 34a_100000211283_100009888830 [0,2,0,1,0,0|0,0,0]=3 52924 B12R1.547 CC(C)(O)CCCOC[C@@H]1CO1 34a_100000757423_100009888830 [0,2,0,1,0,0|1,0,0]=4 52925 B12R1.547 CC(C)(O)CCCSCC1CC1 62a_100000756562_100009888830 [0,2,0,1,0,0|0,1,0]=4 52926 B12R1.547 CC(C)(O)CCCSCC1CC1 62a_100009888830_100000742324 [0,2,0,1,0,0|0,1,0]=4 52927 B12R1.547 CC(C)(O)CCNCCC1CC1 34a_100000764129_100000702414 [0,2,0,1,0,0|1,0,0]=4 52928 B12R1.547 CC(C)(O)CCOCCC1CC1 34a_100000754188_100000702414 [0,2,0,1,0,0|0,0,0]=3 52929 B12R1.547 CC(C)(O)CCOCCC1CC1 7a_100000754188_100000702414 [0,2,0,1,0,0|0,0,0]=3 52930 B12R1.547 CC(C)(O)CCOCC[C@@H]1CO1 34a_100009820653_100000702414 [0,2,0,1,0,0|1,0,0]=4 52931 B12R1.547 CC(C)(O)CCSCCC1CC1 62a_100000702414_100000764125 [0,2,0,1,0,0|0,1,0]=4 52932 B12R1.547 CC(C)(O)CCSCCC1CC1 62a_100000764125_100000702414 [0,2,0,1,0,0|0,1,0]=4 52933 B12R1.547 CS(=O)(=O)CCCOCC1CC1 34a_100000211283_100000754308 [0,2,0,1,0,0|1,0,0]=4 52934 B12R1.547 CS(=O)(=O)CCCOCC1CC1 34a_100000689940_100000742324 [0,2,0,1,0,0|1,0,0]=4 52935 B12R1.547 CS(=O)(=O)CCCOCC1CC1 7a_100000689940_100000742324 [0,2,0,1,0,0|1,0,0]=4 52936 B12R1.547 CS(=O)(=O)CCOCCC1CC1 34a_100000211924_100000694398 [0,2,0,1,0,0|1,0,0]=4 52937 B12R1.547 CS(=O)(=O)CCOCCC1CC1 34a_100000754188_100000731031 [0,2,0,1,0,0|1,0,0]=4 52938 B12R1.547 CS(=O)(=O)CCOCCC1CC1 7a_100000211924_100000764125 [0,2,0,1,0,0|1,0,0]=4 52939 B12R1.547 CS(=O)(=O)CCOCCC1CC1 7a_100000754188_100000230027 [0,2,0,1,0,0|1,0,0]=4 52940 B12R1.547 C[N+](C)(C)CCCOCC1CC1 34a_100000211283_100016990835 [0,2,0,1,0,0|1,0,0]=4 52941 B12R1.547 C[N+](C)(C)CCOCCC1CC1 34a_100000754188_100000085578 [0,2,0,1,0,0|1,0,0]=4 52942 B12R1.547 C[N+](C)(C)CCOCCC1CC1 7a_100000754188_100000085578 [0,2,0,1,0,0|1,0,0]=4 52943 B12R1.547 C[N+](C)(C)CCOCCC1CC1 7a_200020618287_100000764125 [0,2,0,1,0,0|1,0,0]=4 52944 B12R1.547 C[Si](C)(C)CCCOCC1CC1 34a_100000211283_100011219597 [0,2,0,1,0,0|0,1,0]=4 52945 B12R1.547 C[Si](C)(C)CCCOCC1CC1 7a_200011215415_100000742324 [0,2,0,1,0,0|0,1,0]=4 52946 B12R1.547 C[Si](C)(C)CCOCCC1CC1 34a_100000754188_200000733723 [0,2,0,1,0,0|0,1,0]=4 52947 B12R1.547 C[Si](C)(C)CCOCCC1CC1 7a_100000039746_100000764125 [0,2,0,1,0,0|0,1,0]=4 52948 B12R1.547 C[Si](C)(C)CCOCCC1CC1 7a_100000754188_200000733723 [0,2,0,1,0,0|0,1,0]=4 52949 B12R1.547 FC(F)(F)CCCOCC1CC1 34a_100000211283_100011215983 [0,2,0,1,0,0|1,0,0]=4 52950 B12R1.547 FC(F)(F)CCCOCC1CC1 34a_100000749235_100000742324 [0,2,0,1,0,0|1,0,0]=4 52951 B12R1.547 FC(F)(F)CCOCCC1CC1 34a_100000752437_100000694398 [0,2,0,1,0,0|1,0,0]=4 52952 B12R1.547 FC(F)(F)CCOCCC1CC1 34a_100000754188_100011219754 [0,2,0,1,0,0|1,0,0]=4 52953 B12R1.547 FC(F)(F)CCOCCC1CC1 7a_100000754188_100011219754 [0,2,0,1,0,0|1,0,0]=4 52954 B12R1.890 CC(C)(C)CCNC1CCCC1 2230a_100000211070_100000755188 [0,2,0,1,0,0|1,0,0]=4 52955 B12R1.890 CC(C)(C)CCNC1CCCC1 2230a_100000738805_100000179811 [0,2,0,1,0,0|1,0,0]=4 52956 B12R1.890 CC(C)(C)CCNC1CCCC1 270004a_100000738805_100000210133 [0,2,0,1,0,0|1,0,0]=4 52957 B12R1.890 CC(C)(C)CCNC1CCCC1 34a_100000211070_100000755188 [0,2,0,1,0,0|1,0,0]=4 52958 B12R1.890 CC(C)(C)CCOC1CCCC1 34a_100000210269_100000755188 [0,2,0,1,0,0|0,0,0]=3 52959 B12R1.890 CC(C)(C)CCOC1CCCC1 7a_100000210269_100000755188 [0,2,0,1,0,0|0,0,0]=3 52960 B12R1.890 CC(C)(C)CCOC1CCCC1 7a_100000765024_100000179811 [0,2,0,1,0,0|0,0,0]=3 52961 B12R1.890 CC(C)(C)CCOC1CCCO1 34a_100000085407_100000755188 [0,2,0,1,0,0|1,0,0]=4 52962 B12R1.890 CC(C)(C)CCOC1CCOC1 7a_100000765024_100000731011 [0,2,0,1,0,0|1,0,0]=4 52963 B12R1.890 CC(C)(C)CCOC1CCSC1 7a_100011232664_100000755188 [0,2,0,1,0,0|1,0,0]=4 52964 B12R1.890 CC(C)(C)CCO[C@H]1CCOC1 34a_100000717292_100000755188 [0,2,0,1,0,0|1,0,0]=4 52965 B12R1.890 CC(C)(C)CCSC1CCCC1 62a_100000755188_100000179811 [0,2,0,1,0,0|0,1,0]=4 52966 B12R1.890 CC(C)(C)CCSC1CCCC1 62a_100011217020_100000755188 [0,2,0,1,0,0|0,1,0]=4 52967 B12R1.890 CC(C)(F)CCNC1CCCC1 2230a_100016253952_100000179811 [0,2,0,1,0,0|1,0,0]=4 52968 B12R1.890 CC(C)(F)CCNC1CCCC1 270004a_100016253952_100000210133 [0,2,0,1,0,0|1,0,0]=4 52969 B12R1.890 CC(C)(O)CCCN1CCCC1 2230a_100000188435_100009888830 [0,2,0,1,0,0|1,0,0]=4 52970 B12R1.890 CC(C)(O)CCCN1CCCC1 269982a_100000188435_100009888830 [0,2,0,1,0,0|1,0,0]=4 52971 B12R1.890 CC(C)(O)CCNC1CCCC1 2230a_100000211070_100000702414 [0,2,0,1,0,0|1,0,0]=4 52972 B12R1.890 CC(C)(O)CCNC1CCCC1 270004a_100000707701_100000210133 [0,2,0,1,0,0|1,0,0]=4 52973 B12R1.890 CC(C)(O)CCNC1CCCC1 34a_100000211070_100000702414 [0,2,0,1,0,0|1,0,0]=4 52974 B12R1.890 CC(C)(O)CCOC1CCCC1 34a_100000210269_100000702414 [0,2,0,1,0,0|0,0,0]=3 52975 B12R1.890 CC(C)(O)CCOC1CCCC1 7a_100000210269_100000702414 [0,2,0,1,0,0|0,0,0]=3 52976 B12R1.890 CC(C)(O)CCOC1CCCO1 34a_100000085407_100000702414 [0,2,0,1,0,0|1,0,0]=4 52977 B12R1.890 CC(C)(O)CCOC1CCSC1 7a_100011232664_100000702414 [0,2,0,1,0,0|1,0,0]=4 52978 B12R1.890 CC(C)(O)CCO[C@H]1CCOC1 34a_100000717292_100000702414 [0,2,0,1,0,0|1,0,0]=4 52979 B12R1.890 CC(C)(O)CCSC1CCCC1 62a_100000702414_100000179811 [0,2,0,1,0,0|0,1,0]=4 52980 B12R1.890 CC(C)(O)CCSC1CCCC1 62a_100011217020_100000702414 [0,2,0,1,0,0|0,1,0]=4 52981 B12R1.890 CS(=O)(=O)CCOC1CCCC1 34a_100000210269_100000731031 [0,2,0,1,0,0|1,0,0]=4 52982 B12R1.890 CS(=O)(=O)CCOC1CCCC1 34a_100000211924_100000179811 [0,2,0,1,0,0|1,0,0]=4 52983 B12R1.890 CS(=O)(=O)CCOC1CCCC1 7a_100000210269_100000230027 [0,2,0,1,0,0|1,0,0]=4 52984 B12R1.890 CS(=O)(=O)CCOC1CCCC1 7a_100000211924_100000179811 [0,2,0,1,0,0|1,0,0]=4 52985 B12R1.890 C[N+](C)(C)CCOC1CCCC1 34a_100000210269_100000085578 [0,2,0,1,0,0|1,0,0]=4 52986 B12R1.890 C[N+](C)(C)CCOC1CCCC1 7a_100000210269_100000085578 [0,2,0,1,0,0|1,0,0]=4 52987 B12R1.890 C[N+](C)(C)CCOC1CCCC1 7a_200020618287_100000179811 [0,2,0,1,0,0|1,0,0]=4 52988 B12R1.890 C[Si](C)(C)CCOC1CCCC1 34a_100000210269_200000733723 [0,2,0,1,0,0|0,1,0]=4 52989 B12R1.890 C[Si](C)(C)CCOC1CCCC1 7a_100000039746_100000179811 [0,2,0,1,0,0|0,1,0]=4 52990 B12R1.890 C[Si](C)(C)CCOC1CCCC1 7a_100000210269_200000733723 [0,2,0,1,0,0|0,1,0]=4 52991 B12R1.890 FC(F)(F)CCOC1CCCC1 34a_100000210269_100011219754 [0,2,0,1,0,0|1,0,0]=4 52992 B12R1.890 FC(F)(F)CCOC1CCCC1 34a_100000752437_100000179811 [0,2,0,1,0,0|1,0,0]=4 52993 B12R1.890 FC(F)(F)CCOC1CCCC1 7a_100000210269_100011219754 [0,2,0,1,0,0|1,0,0]=4 52994 B12R1.891 CC(C)(C)COC1CCCCO1 34a_100000033831_100011219605 [0,2,0,1,0,0|1,0,0]=4 52995 B12R1.891 CC(C)(C)NCC1CCCCO1 2230a_100000715429_100000211543 [0,2,0,1,0,0|1,0,0]=4 52996 B12R1.891 CC(C)(C)NCC1CCCCO1 34a_100000174945_100000210625 [0,2,0,1,0,0|1,0,0]=4 52997 B12R1.891 CC(C)(C)OCC1CCCCO1 34a_100000211370_100000210625 [0,2,0,1,0,0|1,0,0]=4 52998 B12R1.891 CC(C)(C)OCC1CCCCO1 34a_100015890283_100000211543 [0,2,0,1,0,0|1,0,0]=4 52999 B12R1.891 CC(C)(C)OCC1CCCCO1 7a_100015890283_100000211543 [0,2,0,1,0,0|1,0,0]=4 53000 B12R1.891 CC(C)(C)SCC1CCCCO1 62a_100000211543_100000211941 [0,2,0,1,0,0|1,0,0]=4 53001 B12R1.891 CC(C)(C)SCC1CCCCO1 62a_100000211941_100000211543 [0,2,0,1,0,0|1,0,0]=4 53002 B12R1.891 CC(C)(F)COC1CCCCO1 34a_100000033831_100011997219 [0,2,0,1,0,0|1,0,0]=4 53003 B12R1.891 CC(C)(O)COC1CCCCO1 34a_100000033831_100000764493 [0,2,0,1,0,0|1,0,0]=4 53004 B12R1.18 CCCSC1CCCCCC1=O 62a_100000210303_100000243696 [0,2,0,1,0,0|1,0,0]=4 53005 B12R1.18 CCCSC1CCCCCC1=O 62a_100000243696_100000210303 [0,2,0,1,0,0|1,0,0]=4 53006 B12R1.121 C#CC1CCCCN1CCCC 2230a_200020621307_100000210211 [0,2,0,1,0,0|1,0,0]=4 53007 B12R1.121 C#CC1CCCCN1CCCC 269982a_200020621307_100000210211 [0,2,0,1,0,0|1,0,0]=4 53008 B12R1.121 C#CC1CCCCN1CCCC 34a_200020621307_100000210210 [0,2,0,1,0,0|1,0,0]=4 53009 B12R1.121 C#CCCN1CCOC[C@@H]1CC 2230a_100016988097_100000688953 [0,2,0,1,0,0|0,0,1]=4 53010 B12R1.121 C#CCCN1CCOC[C@@H]1CC 269982a_100016988097_100000730999 [0,2,0,1,0,0|0,0,1]=4 53011 B12R1.121 C#CCCN1CCOC[C@@H]1CC 34a_100016988097_100000688953 [0,2,0,1,0,0|0,0,1]=4 53012 B12R1.121 C/C=C/CN1CCOC[C@@H]1CC 269982a_100016988097_100102629194 [0,2,0,1,0,0|0,0,1]=4 53013 B12R1.121 C/C=C/CN1CCOC[C@@H]1CC 34a_100016988097_100102629194 [0,2,0,1,0,0|0,0,1]=4 53014 B12R1.121 C=CCCN1CCOC[C@@H]1CC 2230a_100016988097_100000754431 [0,2,0,1,0,0|0,0,1]=4 53015 B12R1.121 C=CCCN1CCOC[C@@H]1CC 269982a_100016988097_100000754431 [0,2,0,1,0,0|0,0,1]=4 53016 B12R1.121 C=CCCN1CCOC[C@@H]1CC 34a_100016988097_100000754431 [0,2,0,1,0,0|0,0,1]=4 53017 B12R1.121 CC#CCN1CCOC[C@@H]1CC 2230a_100016988097_100000748600 [0,2,0,1,0,0|0,0,1]=4 53018 B12R1.121 CC#CCN1CCOC[C@@H]1CC 34a_100016988097_100000748600 [0,2,0,1,0,0|0,0,1]=4 53019 B12R1.121 CC=CCN1CCOC[C@@H]1CC 2230a_100016988097_100000070051 [0,2,0,1,0,0|0,0,1]=4 53020 B12R1.121 CC=CCN1CCOC[C@@H]1CC 34a_100016988097_100000070051 [0,2,0,1,0,0|0,0,1]=4 53021 B12R1.121 CCC1CCCCC1NCCF 269862a_100000724931_100000757040 [0,2,0,1,0,0|1,0,0]=4 53022 B12R1.121 CCC1CCCCC1NCCO 269862a_100000210304_100000757040 [0,2,0,1,0,0|1,0,0]=4 53023 B12R1.121 CCC1CCCCC1NCCO 270004a_100000210304_100000757040 [0,2,0,1,0,0|1,0,0]=4 53024 B12R1.121 CCC1CCCCC1OCCF 34a_100000210738_100011217306 [0,2,0,1,0,0|1,0,0]=4 53025 B12R1.121 CCC1CCCCC1OCCF 7a_100000210738_100011217306 [0,2,0,1,0,0|1,0,0]=4 53026 B12R1.121 CCC1CCCCC1OCCO 34a_100000210738_100000211926 [0,2,0,1,0,0|1,0,0]=4 53027 B12R1.121 CCC1CCCCC1OCCO 7a_100000210738_100000211926 [0,2,0,1,0,0|1,0,0]=4 53028 B12R1.121 CCC1CCCCC1OCSC 34a_100000210738_100011218213 [0,2,0,1,0,0|1,0,0]=4 53029 B12R1.121 CCC1CCCCN1CCCF 2230a_100000210034_100011934791 [0,2,0,1,0,0|1,0,0]=4 53030 B12R1.121 CCC1CCCCN1CCCF 269982a_100000210034_100011934791 [0,2,0,1,0,0|1,0,0]=4 53031 B12R1.121 CCC1CCCCN1CCCF 34a_100000210034_100011934791 [0,2,0,1,0,0|1,0,0]=4 53032 B12R1.121 CCC1CCCCN1CCCO 2230a_100000210034_100000230001 [0,2,0,1,0,0|1,0,0]=4 53033 B12R1.121 CCC1CCCCN1CCCO 269982a_100000210034_100011215043 [0,2,0,1,0,0|1,0,0]=4 53034 B12R1.121 CCC1CCCCN1CCCO 34a_100000210034_100000230001 [0,2,0,1,0,0|1,0,0]=4 53035 B12R1.121 CCC1CCCCN1CCNC 2230a_100000755458_200000210301 [0,2,0,1,0,0|1,0,0]=4 53036 B12R1.121 CCC1CCCCN1CCNC 34a_100000755458_200000210301 [0,2,0,1,0,0|1,0,0]=4 53037 B12R1.121 CCC1CCCCN1CCN[13CH3] 2230a_100000755458_200025704644 [0,2,0,1,0,0|1,0,0]=4 53038 B12R1.121 CCC1CCCCN1CCN[13CH3] 34a_100000755458_200025704644 [0,2,0,1,0,0|1,0,0]=4 53039 B12R1.121 CCC1CCCCN1CCOC 2230a_100000210034_100011201679 [0,2,0,1,0,0|1,0,0]=4 53040 B12R1.121 CCC1CCCCN1CCOC 269982a_100000210034_100000233755 [0,2,0,1,0,0|1,0,0]=4 53041 B12R1.121 CCC1CCCCN1CCOC 34a_100000210034_100011201679 [0,2,0,1,0,0|1,0,0]=4 53042 B12R1.121 CCC1CCCCN1CCSC 2230a_100000210034_100000751147 [0,2,0,1,0,0|1,0,0]=4 53043 B12R1.121 CCC1CCCCN1CCSC 269982a_100000210034_100000212216 [0,2,0,1,0,0|1,0,0]=4 53044 B12R1.121 CCC1CCCCN1CCSC 34a_100000210034_100000212216 [0,2,0,1,0,0|1,0,0]=4 53045 B12R1.121 CCCCN1CCCCC1C#N 34a_100016989756_100000210210 [0,2,0,1,0,0|1,0,0]=4 53046 B12R1.121 CCCCN1CCCCC1CC 2230a_100000210034_100000210211 [0,2,0,1,0,0|1,0,0]=4 53047 B12R1.121 CCCCN1CCCCC1CC 269982a_100000210034_100000210211 [0,2,0,1,0,0|1,0,0]=4 53048 B12R1.121 CCCCN1CCCCC1CC 34a_100000210034_100000210210 [0,2,0,1,0,0|1,0,0]=4 53049 B12R1.121 CCCCN1CCCCC1CO 2230a_100000210821_100000210211 [0,2,0,1,0,0|1,0,0]=4 53050 B12R1.121 CCCCN1CCCCC1CO 269982a_100000210821_100000210211 [0,2,0,1,0,0|1,0,0]=4 53051 B12R1.121 CCCCN1CCCCC1CO 34a_100000210821_100000210210 [0,2,0,1,0,0|1,0,0]=4 53052 B12R1.121 CCCCN1CCOC[C@@H]1CC 2230a_100016988097_100000210211 [0,2,0,1,0,0|0,0,0]=3 53053 B12R1.121 CCCCN1CCOC[C@@H]1CC 269982a_100016988097_100000210211 [0,2,0,1,0,0|0,0,0]=3 53054 B12R1.121 CCCCN1CCOC[C@@H]1CC 34a_100016988097_100000210210 [0,2,0,1,0,0|0,0,0]=3 53055 B12R1.121 CCCCN1CCOC[C@H]1CO 2230a_100000717676_100000210211 [0,2,0,1,0,0|1,0,0]=4 53056 B12R1.121 CCCCN1CCOC[C@H]1CO 269982a_100000717676_100000210211 [0,2,0,1,0,0|1,0,0]=4 53057 B12R1.121 CCCCN1CCOC[C@H]1CO 34a_100000717676_100000210210 [0,2,0,1,0,0|1,0,0]=4 53058 B12R1.121 CCCNC1CCCCC1CC 269862a_100020643023_100000757040 [0,2,0,1,0,0|1,0,0]=4 53059 B12R1.121 CCCNC1CCCCC1CC 270004a_100020643023_100000757040 [0,2,0,1,0,0|1,0,0]=4 53060 B12R1.121 CCCNC1CCCCC1CO 270004a_100020643023_100009861125 [0,2,0,1,0,0|1,0,0]=4 53061 B12R1.121 CCCNC1CCCCC1OC 270004a_100020643023_100000740605 [0,2,0,1,0,0|1,0,0]=4 53062 B12R1.121 CCCNC1CCCCC1OC 34a_100011208099_100000210303 [0,2,0,1,0,0|1,0,0]=4 53063 B12R1.121 CCCNC1CCOCC1CO 2230a_214813039666_100000210303 [0,2,0,1,0,0|1,0,0]=4 53064 B12R1.121 CCCNC1CCOCC1CO 34a_214813039666_100000210303 [0,2,0,1,0,0|1,0,0]=4 53065 B12R1.121 CCCNC1CCOCC1OC 270004a_100020643023_100000095984 [0,2,0,1,0,0|1,0,0]=4 53066 B12R1.121 CCCOC1CCCCC1CC 34a_100000210738_100000210303 [0,2,0,1,0,0|1,0,0]=4 53067 B12R1.121 CCCOC1CCCCC1CC 7a_100000210738_100000210303 [0,2,0,1,0,0|1,0,0]=4 53068 B12R1.121 CCCOC1CCCCC1CN 34a_100011216029_100000210303 [0,2,0,1,0,0|1,0,0]=4 53069 B12R1.121 CCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210303 [0,2,0,1,0,0|1,0,0]=4 53070 B12R1.121 CCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210303 [0,2,0,1,0,0|1,0,0]=4 53071 B12R1.121 CCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210303 [0,2,0,1,0,0|1,0,0]=4 53072 B12R1.121 CCN1CCCCC1CCCO 2230a_100011934581_100000210202 [0,2,0,1,0,0|1,0,0]=4 53073 B12R1.121 CCN1CCCCC1CCCO 269982a_100011934581_100000204670 [0,2,0,1,0,0|1,0,0]=4 53074 B12R1.121 CCN1CCCCC1CCCO 34a_100011934581_100000210202 [0,2,0,1,0,0|1,0,0]=4 53075 B12R1.121 CCN1CCCCC1CCOC 2230a_100015186528_100000210202 [0,2,0,1,0,0|1,0,0]=4 53076 B12R1.121 CCN1CCCCC1CCOC 269982a_100015186528_100000204670 [0,2,0,1,0,0|1,0,0]=4 53077 B12R1.121 CCN1CCCCC1CCOC 34a_100015186528_100000210202 [0,2,0,1,0,0|1,0,0]=4 53078 B12R1.121 CCNCC1CCCCN1CC 2230a_100000754393_100000210202 [0,2,0,1,0,0|1,0,0]=4 53079 B12R1.121 CCNCC1CCCCN1CC 34a_100000754393_100000210202 [0,2,0,1,0,0|1,0,0]=4 53080 B12R1.121 CCOCC1CCCCN1CC 34a_100000225091_100000210202 [0,2,0,1,0,0|1,0,0]=4 53081 B12R1.121 CCOCC1CCCCN1CC 7a_100000225091_100000210202 [0,2,0,1,0,0|1,0,0]=4 53082 B12R1.121 CCOCN1CCCCC1CC 269982a_100000210034_100000739092 [0,2,0,1,0,0|1,0,0]=4 53083 B12R1.121 CCOCN1CCOC[C@@H]1CC 269982a_100016988097_100000739092 [0,2,0,1,0,0|0,0,0]=3 53084 B12R1.121 CCOCN1CCOC[C@H]1CO 269982a_100000717676_100000739092 [0,2,0,1,0,0|1,0,0]=4 53085 B12R1.121 CC[C@H]1COCCN1CCC#N 2230a_100016988097_100011215226 [0,2,0,1,0,0|0,0,1]=4 53086 B12R1.121 CC[C@H]1COCCN1CCC#N 269982a_100016988097_100011215226 [0,2,0,1,0,0|0,0,1]=4 53087 B12R1.121 CC[C@H]1COCCN1CCCF 2230a_100016988097_100011934791 [0,2,0,1,0,0|0,0,0]=3 53088 B12R1.121 CC[C@H]1COCCN1CCCF 269982a_100016988097_100011934791 [0,2,0,1,0,0|0,0,0]=3 53089 B12R1.121 CC[C@H]1COCCN1CCCF 34a_100016988097_100011934791 [0,2,0,1,0,0|0,0,0]=3 53090 B12R1.121 CC[C@H]1COCCN1CCCO 2230a_100016988097_100000230001 [0,2,0,1,0,0|0,0,0]=3 53091 B12R1.121 CC[C@H]1COCCN1CCCO 269982a_100016988097_100011215043 [0,2,0,1,0,0|0,0,0]=3 53092 B12R1.121 CC[C@H]1COCCN1CCCO 34a_100016988097_100000230001 [0,2,0,1,0,0|0,0,0]=3 53093 B12R1.121 CC[C@H]1COCCN1CCOC 2230a_100016988097_100011201679 [0,2,0,1,0,0|0,0,0]=3 53094 B12R1.121 CC[C@H]1COCCN1CCOC 269982a_100016988097_100000233755 [0,2,0,1,0,0|0,0,0]=3 53095 B12R1.121 CC[C@H]1COCCN1CCOC 34a_100016988097_100011201679 [0,2,0,1,0,0|0,0,0]=3 53096 B12R1.121 CC[C@H]1COCCN1CCSC 2230a_100016988097_100000751147 [0,2,0,1,0,0|0,0,0]=3 53097 B12R1.121 CC[C@H]1COCCN1CCSC 269982a_100016988097_100000212216 [0,2,0,1,0,0|0,0,0]=3 53098 B12R1.121 CC[C@H]1COCCN1CCSC 34a_100016988097_100000212216 [0,2,0,1,0,0|0,0,0]=3 53099 B12R1.121 COC1COCCC1NCCO 270004a_100000210304_100000095984 [0,2,0,1,0,0|1,0,0]=4 53100 B12R1.121 COCCN1CCOC[C@H]1CO 2230a_100000717676_100011201679 [0,2,0,1,0,0|1,0,0]=4 53101 B12R1.121 COCCN1CCOC[C@H]1CO 269982a_100000717676_100000233755 [0,2,0,1,0,0|1,0,0]=4 53102 B12R1.121 COCCN1CCOC[C@H]1CO 34a_100000717676_100011201679 [0,2,0,1,0,0|1,0,0]=4 53103 B12R1.121 COCNC1CCOCC1CO 2230a_214813039666_100000766300 [0,2,0,1,0,0|1,0,0]=4 53104 B12R1.121 CSCCN1CCOC[C@H]1CO 2230a_100000717676_100000751147 [0,2,0,1,0,0|1,0,0]=4 53105 B12R1.121 CSCCN1CCOC[C@H]1CO 269982a_100000717676_100000212216 [0,2,0,1,0,0|1,0,0]=4 53106 B12R1.121 CSCCN1CCOC[C@H]1CO 34a_100000717676_100000212216 [0,2,0,1,0,0|1,0,0]=4 53107 B12R1.121 CSCNC1CCOCC1CO 2230a_214813039666_100011218213 [0,2,0,1,0,0|1,0,0]=4 53108 B12R1.121 CSCNC1CCOCC1CO 34a_214813039666_100011218213 [0,2,0,1,0,0|1,0,0]=4 53109 B12R1.121 OCC1COCCC1NCCF 2230a_214813039666_100011217306 [0,2,0,1,0,0|1,0,0]=4 53110 B12R1.121 OCC1COCCC1NCCF 34a_214813039666_100011217306 [0,2,0,1,0,0|1,0,0]=4 53111 B12R1.121 OCCCN1CCOC[C@H]1CO 2230a_100000717676_100000230001 [0,2,0,1,0,0|1,0,0]=4 53112 B12R1.121 OCCCN1CCOC[C@H]1CO 269982a_100000717676_100011215043 [0,2,0,1,0,0|1,0,0]=4 53113 B12R1.121 OCCCN1CCOC[C@H]1CO 34a_100000717676_100000230001 [0,2,0,1,0,0|1,0,0]=4 53114 B12R1.121 OCCNC1CCOCC1CO 2230a_214813039666_100000211926 [0,2,0,1,0,0|1,0,0]=4 53115 B12R1.121 OCCNC1CCOCC1CO 34a_214813039666_100000211926 [0,2,0,1,0,0|1,0,0]=4 53116 B12R1.121 OC[C@@H]1COCCN1CCCF 2230a_100000717676_100011934791 [0,2,0,1,0,0|1,0,0]=4 53117 B12R1.121 OC[C@@H]1COCCN1CCCF 269982a_100000717676_100011934791 [0,2,0,1,0,0|1,0,0]=4 53118 B12R1.121 OC[C@@H]1COCCN1CCCF 34a_100000717676_100011934791 [0,2,0,1,0,0|1,0,0]=4 53119 B12R1.169 C#CCN1CCOCC1CCC 2230a_102495339903_100000038162 [0,2,0,1,0,0|0,0,1]=4 53120 B12R1.169 C#CCN1CCOCC1CCC 34a_102495339903_100000184674 [0,2,0,1,0,0|0,0,1]=4 53121 B12R1.169 C=CCN1CCOCC1CCC 2230a_102495339903_100000210623 [0,2,0,1,0,0|0,0,1]=4 53122 B12R1.169 C=CCN1CCOCC1CCC 269982a_102495339903_100000210623 [0,2,0,1,0,0|0,0,1]=4 53123 B12R1.169 C=CCN1CCOCC1CCC 34a_102495339903_100015514636 [0,2,0,1,0,0|0,0,1]=4 53124 B12R1.169 CCCC1CCCCC1NCC 269862a_100015525214_100011218038 [0,2,0,1,0,0|1,0,0]=4 53125 B12R1.169 CCCC1CCCCC1NCC 270004a_100015525214_100011218038 [0,2,0,1,0,0|1,0,0]=4 53126 B12R1.169 CCCC1CCCCC1OCC 34a_100011217265_100000210202 [0,2,0,1,0,0|1,0,0]=4 53127 B12R1.169 CCCC1CCCCC1OCC 7a_100011217265_100000210202 [0,2,0,1,0,0|1,0,0]=4 53128 B12R1.169 CCCC1CCCCC1OCF 34a_100011217265_100015361967 [0,2,0,1,0,0|1,0,0]=4 53129 B12R1.169 CCCC1CCCCC1OCF 7a_100011217265_100015361967 [0,2,0,1,0,0|1,0,0]=4 53130 B12R1.169 CCCC1CCCCN1CCC 2230a_100000701414_100000210303 [0,2,0,1,0,0|1,0,0]=4 53131 B12R1.169 CCCC1CCCCN1CCC 269982a_100000701414_100000210303 [0,2,0,1,0,0|1,0,0]=4 53132 B12R1.169 CCCC1CCCCN1CCC 34a_100000701414_100000210303 [0,2,0,1,0,0|1,0,0]=4 53133 B12R1.169 CCCC1CCCCN1CCF 2230a_100000701414_100011217306 [0,2,0,1,0,0|1,0,0]=4 53134 B12R1.169 CCCC1CCCCN1CCF 269982a_100000701414_100011217306 [0,2,0,1,0,0|1,0,0]=4 53135 B12R1.169 CCCC1CCCCN1CCF 34a_100000701414_100011217306 [0,2,0,1,0,0|1,0,0]=4 53136 B12R1.169 CCCC1CCCCN1CCO 2230a_100000701414_100000211926 [0,2,0,1,0,0|1,0,0]=4 53137 B12R1.169 CCCC1CCCCN1CCO 269982a_100000701414_100000211926 [0,2,0,1,0,0|1,0,0]=4 53138 B12R1.169 CCCC1CCCCN1CCO 34a_100000701414_100000211926 [0,2,0,1,0,0|1,0,0]=4 53139 B12R1.169 CCCC1CCCCN1COC 2230a_100000701414_100000766300 [0,2,0,1,0,0|1,0,0]=4 53140 B12R1.169 CCCC1CCCCN1COC 269982a_100000701414_100000766300 [0,2,0,1,0,0|1,0,0]=4 53141 B12R1.169 CCCC1CCCCN1CSC 2230a_100000701414_100011218213 [0,2,0,1,0,0|1,0,0]=4 53142 B12R1.169 CCCC1CCCCN1CSC 269982a_100000701414_100011218213 [0,2,0,1,0,0|1,0,0]=4 53143 B12R1.169 CCCC1CCCCN1CSC 34a_100000701414_100011218213 [0,2,0,1,0,0|1,0,0]=4 53144 B12R1.169 CCCC1COCCN1CC#N 2230a_102495339903_100011215382 [0,2,0,1,0,0|0,0,1]=4 53145 B12R1.169 CCCC1COCCN1CC#N 269982a_102495339903_100011214920 [0,2,0,1,0,0|0,0,1]=4 53146 B12R1.169 CCCC1COCCN1CC=O 2230a_102495339903_200015260668 [0,2,0,1,0,0|0,0,1]=4 53147 B12R1.169 CCCC1COCCN1CC=O 269982a_102495339903_200015260668 [0,2,0,1,0,0|0,0,1]=4 53148 B12R1.169 CCCC1COCCN1CC=O 34a_102495339903_200009817547 [0,2,0,1,0,0|0,0,1]=4 53149 B12R1.169 CCCC1COCCN1CCC 2230a_102495339903_100000210303 [0,2,0,1,0,0|0,0,0]=3 53150 B12R1.169 CCCC1COCCN1CCC 269982a_102495339903_100000210303 [0,2,0,1,0,0|0,0,0]=3 53151 B12R1.169 CCCC1COCCN1CCC 34a_102495339903_100000210303 [0,2,0,1,0,0|0,0,0]=3 53152 B12R1.169 CCCC1COCCN1CCF 2230a_102495339903_100011217306 [0,2,0,1,0,0|0,0,0]=3 53153 B12R1.169 CCCC1COCCN1CCF 269982a_102495339903_100011217306 [0,2,0,1,0,0|0,0,0]=3 53154 B12R1.169 CCCC1COCCN1CCF 34a_102495339903_100011217306 [0,2,0,1,0,0|0,0,0]=3 53155 B12R1.169 CCCC1COCCN1CCO 2230a_102495339903_100000211926 [0,2,0,1,0,0|0,0,0]=3 53156 B12R1.169 CCCC1COCCN1CCO 269982a_102495339903_100000211926 [0,2,0,1,0,0|0,0,0]=3 53157 B12R1.169 CCCC1COCCN1CCO 34a_102495339903_100000211926 [0,2,0,1,0,0|0,0,0]=3 53158 B12R1.169 CCCC1COCCN1COC 2230a_102495339903_100000766300 [0,2,0,1,0,0|0,0,0]=3 53159 B12R1.169 CCCC1COCCN1COC 269982a_102495339903_100000766300 [0,2,0,1,0,0|0,0,0]=3 53160 B12R1.169 CCCC1COCCN1CSC 2230a_102495339903_100011218213 [0,2,0,1,0,0|0,0,0]=3 53161 B12R1.169 CCCC1COCCN1CSC 269982a_102495339903_100011218213 [0,2,0,1,0,0|0,0,0]=3 53162 B12R1.169 CCCC1COCCN1CSC 34a_102495339903_100011218213 [0,2,0,1,0,0|0,0,0]=3 53163 B12R1.169 CCCN1CCCCC1CCO 2230a_100000211664_100000210303 [0,2,0,1,0,0|1,0,0]=4 53164 B12R1.169 CCCN1CCCCC1CCO 269982a_100000211664_100000210303 [0,2,0,1,0,0|1,0,0]=4 53165 B12R1.169 CCCN1CCCCC1CCO 34a_100000211664_100000210303 [0,2,0,1,0,0|1,0,0]=4 53166 B12R1.169 CCCN1CCCCC1COC 2230a_100015184032_100000210303 [0,2,0,1,0,0|1,0,0]=4 53167 B12R1.169 CCCN1CCCCC1COC 269982a_100015184032_100000210303 [0,2,0,1,0,0|1,0,0]=4 53168 B12R1.169 CCCN1CCCCC1COC 34a_100015184032_100000210303 [0,2,0,1,0,0|1,0,0]=4 53169 B12R1.169 CCCN1CCOC[C@@H]1COC 2230a_100016989928_100000210303 [0,2,0,1,0,0|0,0,0]=3 53170 B12R1.169 CCCN1CCOC[C@@H]1COC 269982a_100016989928_100000210303 [0,2,0,1,0,0|0,0,0]=3 53171 B12R1.169 CCCN1CCOC[C@@H]1COC 34a_100016989928_100000210303 [0,2,0,1,0,0|0,0,0]=3 53172 B12R1.169 CCNC1CCCCC1OCC 270004a_100015525214_200000031474 [0,2,0,1,0,0|1,0,0]=4 53173 B12R1.169 COC[C@H]1COCCN1CCF 2230a_100016989928_100011217306 [0,2,0,1,0,0|1,0,0]=4 53174 B12R1.169 COC[C@H]1COCCN1CCF 269982a_100016989928_100011217306 [0,2,0,1,0,0|1,0,0]=4 53175 B12R1.169 COC[C@H]1COCCN1CCF 34a_100016989928_100011217306 [0,2,0,1,0,0|1,0,0]=4 53176 B12R1.169 COC[C@H]1COCCN1CCO 2230a_100016989928_100000211926 [0,2,0,1,0,0|1,0,0]=4 53177 B12R1.169 COC[C@H]1COCCN1CCO 269982a_100016989928_100000211926 [0,2,0,1,0,0|1,0,0]=4 53178 B12R1.169 COC[C@H]1COCCN1CCO 34a_100016989928_100000211926 [0,2,0,1,0,0|1,0,0]=4 53179 B12R1.169 COC[C@H]1COCCN1COC 2230a_100016989928_100000766300 [0,2,0,1,0,0|1,0,0]=4 53180 B12R1.169 COC[C@H]1COCCN1COC 269982a_100016989928_100000766300 [0,2,0,1,0,0|1,0,0]=4 53181 B12R1.169 COC[C@H]1COCCN1CSC 2230a_100016989928_100011218213 [0,2,0,1,0,0|1,0,0]=4 53182 B12R1.169 COC[C@H]1COCCN1CSC 269982a_100016989928_100011218213 [0,2,0,1,0,0|1,0,0]=4 53183 B12R1.169 COC[C@H]1COCCN1CSC 34a_100016989928_100011218213 [0,2,0,1,0,0|1,0,0]=4 53184 B12R1.320 CCCC1CCCC1NCCF 269862a_100000724931_100000723119 [0,2,0,1,0,0|1,0,0]=4 53185 B12R1.320 CCCC1CCCC1NCCO 269862a_100000210304_100000723119 [0,2,0,1,0,0|1,0,0]=4 53186 B12R1.320 CCCC1CCCC1NCCO 270004a_100000210304_100000723119 [0,2,0,1,0,0|1,0,0]=4 53187 B12R1.320 CCCCC1C=CCN1CCC 2230a_100015184376_100000210303 [0,2,0,1,0,0|1,0,0]=4 53188 B12R1.320 CCCCC1C=CCN1CCC 269982a_100015184376_100000210303 [0,2,0,1,0,0|1,0,0]=4 53189 B12R1.320 CCCCC1C=CCN1CCC 34a_100015184376_100000210303 [0,2,0,1,0,0|1,0,0]=4 53190 B12R1.320 CCCCC1CCCC1NCC 269862a_100015525214_100000750825 [0,2,0,1,0,0|1,0,0]=4 53191 B12R1.320 CCCCC1CCCC1NCC 270004a_100015525214_100000750825 [0,2,0,1,0,0|1,0,0]=4 53192 B12R1.320 CCCCN1CCC[C@H]1COC 2230a_100020646714_100000210211 [0,2,0,1,0,0|1,0,0]=4 53193 B12R1.320 CCCCN1CCC[C@H]1COC 269982a_100020646714_100000210211 [0,2,0,1,0,0|1,0,0]=4 53194 B12R1.320 CCCCN1CCC[C@H]1COC 34a_100020646714_100000210210 [0,2,0,1,0,0|1,0,0]=4 53195 B12R1.320 CCCN1CCCC1COCC 34a_200000694710_100000210202 [0,2,0,1,0,0|1,0,0]=4 53196 B12R1.320 CCCN1CCCC1COCC 7a_200000694710_100000210202 [0,2,0,1,0,0|1,0,0]=4 53197 B12R1.320 CCCNC1CCCC1CCC 269862a_100020643023_100000723119 [0,2,0,1,0,0|1,0,0]=4 53198 B12R1.320 CCCNC1CCCC1CCC 270004a_100020643023_100000723119 [0,2,0,1,0,0|1,0,0]=4 53199 B12R1.1414 BrCCCOC1CCCCCC1 34a_100011217188_100011217769 [0,2,0,1,0,0|1,0,0]=4 53200 B12R1.1414 BrCCOCC1CCCCCC1 34a_100000211926_200000696569 [0,2,0,1,0,0|1,0,0]=4 53201 B12R1.1414 CCCCCN1CCCCCC1 2230a_100000185865_100000210326 [0,2,0,1,0,0|1,0,0]=4 53202 B12R1.1414 CCCCCN1CCCCCC1 269982a_100000185865_100000210215 [0,2,0,1,0,0|1,0,0]=4 53203 B12R1.1414 CCCCCN1CCCCCC1 34a_100000185865_100000718602 [0,2,0,1,0,0|1,0,0]=4 53204 B12R1.1414 CCCCCN1CCCOCC1 2230a_100000685342_100000210326 [0,2,0,1,0,0|1,0,0]=4 53205 B12R1.1414 CCCCCN1CCCOCC1 269982a_100000685342_100000210215 [0,2,0,1,0,0|1,0,0]=4 53206 B12R1.1414 CCCCCN1CCCOCC1 34a_100000685342_100000718602 [0,2,0,1,0,0|1,0,0]=4 53207 B12R1.1414 CCCCNC1CCCCCC1 2230a_100000210984_100000210211 [0,2,0,1,0,0|1,0,0]=4 53208 B12R1.1414 CCCCNC1CCCCCC1 270004a_100000102301_100000210131 [0,2,0,1,0,0|1,0,0]=4 53209 B12R1.1414 CCCCNC1CCCCCC1 34a_100000210984_100000210210 [0,2,0,1,0,0|1,0,0]=4 53210 B12R1.1414 CCCCNC1CCCNCC1 270004a_100000102301_100015187895 [0,2,0,1,0,0|1,0,0]=4 53211 B12R1.1414 CCCCNC1CSCCSC1 270004a_100000102301_100000068409 [0,2,0,1,0,0|1,0,0]=4 53212 B12R1.1414 CCCCOC1CCCCCC1 34a_100000210227_100011217769 [0,2,0,1,0,0|0,0,0]=3 53213 B12R1.1414 CCCCOC1CCCCCC1 34a_100000210887_100000210210 [0,2,0,1,0,0|0,0,0]=3 53214 B12R1.1414 CCCCOC1CCCCCC1 7a_100000210887_100000210211 [0,2,0,1,0,0|0,0,0]=3 53215 B12R1.1414 CCCCSC1CCCCCC1 62a_100000210211_100011217769 [0,2,0,1,0,0|0,1,0]=4 53216 B12R1.1414 CCCCSC1CCCCCC1 62a_100011217769_100000210210 [0,2,0,1,0,0|0,1,0]=4 53217 B12R1.1414 CCCNCC1CCCCCC1 2230a_100015204231_100000210303 [0,2,0,1,0,0|1,0,0]=4 53218 B12R1.1414 CCCNCC1CCCCCC1 269862a_100020643023_200000763224 [0,2,0,1,0,0|1,0,0]=4 53219 B12R1.1414 CCCNCC1CCCCCC1 34a_100015204231_100000210303 [0,2,0,1,0,0|1,0,0]=4 53220 B12R1.1414 CCCOCC1CCCCCC1 34a_100000210258_200000696569 [0,2,0,1,0,0|1,0,0]=4 53221 B12R1.1414 CCCOCC1CCCCCC1 34a_100000699130_100000210303 [0,2,0,1,0,0|1,0,0]=4 53222 B12R1.1414 CCCOCC1CCCCCC1 7a_100000699130_100000210303 [0,2,0,1,0,0|1,0,0]=4 53223 B12R1.1414 CCCOCC1CNCCOC1 34a_100103147999_100000210303 [0,2,0,1,0,0|1,0,0]=4 53224 B12R1.1414 CCCSCC1CCCCCC1 62a_100000210303_200000696569 [0,2,0,1,0,0|1,0,0]=4 53225 B12R1.1414 CCCSCC1CCCCCC1 62a_200000696569_100000210303 [0,2,0,1,0,0|1,0,0]=4 53226 B12R1.1414 CCNCCC1CCCCCC1 2230a_100011532351_100000210202 [0,2,0,1,0,0|1,0,0]=4 53227 B12R1.1414 CCNCCC1CCCCCC1 34a_100011532351_100000210202 [0,2,0,1,0,0|1,0,0]=4 53228 B12R1.1414 CCOCCN1CCCCCC1 2230a_100000185865_100011215890 [0,2,0,1,0,0|1,0,0]=4 53229 B12R1.1414 CCOCCN1CCCCCC1 269982a_100000185865_100011215890 [0,2,0,1,0,0|1,0,0]=4 53230 B12R1.1414 CCOCCN1CCCCCC1 34a_100000185865_100000210147 [0,2,0,1,0,0|1,0,0]=4 53231 B12R1.1414 CCOCCN1CCCCCC1 34a_100000238007_100000210202 [0,2,0,1,0,0|1,0,0]=4 53232 B12R1.1414 CCOCCN1CCCOCC1 2230a_100000685342_100011215890 [0,2,0,1,0,0|1,0,0]=4 53233 B12R1.1414 CCOCCN1CCCOCC1 269982a_100000685342_100011215890 [0,2,0,1,0,0|1,0,0]=4 53234 B12R1.1414 CCOCCN1CCCOCC1 34a_100000685342_100000210147 [0,2,0,1,0,0|1,0,0]=4 53235 B12R1.1414 CCOCSC1CCCCCC1 62a_100000739092_100011217769 [0,2,0,1,0,0|1,0,0]=4 53236 B12R1.1414 CCOCSC1CCCCCC1 62a_100011217769_100000739092 [0,2,0,1,0,0|1,0,0]=4 53237 B12R1.1414 CCSCCN1CCCCCC1 2230a_100000185865_100000757381 [0,2,0,1,0,0|1,0,0]=4 53238 B12R1.1414 CCSCCN1CCCCCC1 269982a_100000185865_100000757381 [0,2,0,1,0,0|1,0,0]=4 53239 B12R1.1414 CCSCCN1CCCCCC1 34a_100000185865_100000757381 [0,2,0,1,0,0|1,0,0]=4 53240 B12R1.1414 CCSCCN1CCCCCC1 62a_100000210202_100000722644 [0,2,0,1,0,0|1,0,0]=4 53241 B12R1.1414 CCSCCN1CCCCCC1 62a_100000722644_100000210202 [0,2,0,1,0,0|1,0,0]=4 53242 B12R1.1414 CCSCCN1CCCOCC1 2230a_100000685342_100000757381 [0,2,0,1,0,0|1,0,0]=4 53243 B12R1.1414 CCSCCN1CCCOCC1 269982a_100000685342_100000757381 [0,2,0,1,0,0|1,0,0]=4 53244 B12R1.1414 CCSCCN1CCCOCC1 34a_100000685342_100000757381 [0,2,0,1,0,0|1,0,0]=4 53245 B12R1.1414 COCCCN1CCCCCC1 2230a_100000185865_100000740836 [0,2,0,1,0,0|1,0,0]=4 53246 B12R1.1414 COCCCN1CCCCCC1 269982a_100000185865_100000740836 [0,2,0,1,0,0|1,0,0]=4 53247 B12R1.1414 COCCCN1CCCCCC1 34a_100000185865_100000740836 [0,2,0,1,0,0|1,0,0]=4 53248 B12R1.1414 COCCCN1CCCCCC1 34a_100102886287_200000210301 [0,2,0,1,0,0|1,0,0]=4 53249 B12R1.1414 COCCCN1CCCCCC1 7a_100102886287_200000210301 [0,2,0,1,0,0|1,0,0]=4 53250 B12R1.1414 COCCCN1CCCOCC1 2230a_100000685342_100000740836 [0,2,0,1,0,0|1,0,0]=4 53251 B12R1.1414 COCCCN1CCCOCC1 269982a_100000685342_100000740836 [0,2,0,1,0,0|1,0,0]=4 53252 B12R1.1414 COCCCN1CCCOCC1 34a_100000685342_100000740836 [0,2,0,1,0,0|1,0,0]=4 53253 B12R1.1414 COCCNC1CCCCCC1 2230a_100000210984_100011201679 [0,2,0,1,0,0|1,0,0]=4 53254 B12R1.1414 COCCNC1CCCCCC1 270004a_100000209980_100000210131 [0,2,0,1,0,0|1,0,0]=4 53255 B12R1.1414 COCCNC1CCCCCC1 34a_100000210984_100011201679 [0,2,0,1,0,0|1,0,0]=4 53256 B12R1.1414 COCCOC1CCCCCC1 34a_100000210237_100011217769 [0,2,0,1,0,0|1,0,0]=4 53257 B12R1.1414 COCCOC1CCCCCC1 34a_100000210887_100011201679 [0,2,0,1,0,0|1,0,0]=4 53258 B12R1.1414 COCCOC1CCCCCC1 7a_100000210887_100000233755 [0,2,0,1,0,0|1,0,0]=4 53259 B12R1.1414 COCCSC1CCCCCC1 62a_100000233755_100011217769 [0,2,0,1,0,0|1,0,0]=4 53260 B12R1.1414 COCCSC1CCCCCC1 62a_100011217769_100000233755 [0,2,0,1,0,0|1,0,0]=4 53261 B12R1.1414 COCNCC1CCCCCC1 2230a_100015204231_100000766300 [0,2,0,1,0,0|1,0,0]=4 53262 B12R1.1414 COCSCC1CCCCCC1 62a_100000766300_200000696569 [0,2,0,1,0,0|1,0,0]=4 53263 B12R1.1414 COCSCC1CCCCCC1 62a_200000696569_100000766300 [0,2,0,1,0,0|1,0,0]=4 53264 B12R1.1414 CSCCNC1CCCCCC1 2230a_100000210984_100000751147 [0,2,0,1,0,0|1,0,0]=4 53265 B12R1.1414 CSCCNC1CCCCCC1 270004a_100020590264_100000210131 [0,2,0,1,0,0|1,0,0]=4 53266 B12R1.1414 CSCCNC1CCCCCC1 34a_100000210984_100000212216 [0,2,0,1,0,0|1,0,0]=4 53267 B12R1.1414 CSCCOC1CCCCCC1 34a_100000210887_100000212216 [0,2,0,1,0,0|1,0,0]=4 53268 B12R1.1414 CSCCOC1CCCCCC1 34a_100000230434_100011217769 [0,2,0,1,0,0|1,0,0]=4 53269 B12R1.1414 CSCCOC1CCCCCC1 7a_100000210887_100000212216 [0,2,0,1,0,0|1,0,0]=4 53270 B12R1.1414 CSCCSC1CCCCCC1 62a_100000212216_100011217769 [0,2,0,1,0,0|1,0,0]=4 53271 B12R1.1414 CSCCSC1CCCCCC1 62a_100011217769_100000751147 [0,2,0,1,0,0|1,0,0]=4 53272 B12R1.1414 CSCNCC1CCCCCC1 2230a_100015204231_100011218213 [0,2,0,1,0,0|1,0,0]=4 53273 B12R1.1414 CSCNCC1CCCCCC1 34a_100015204231_100011218213 [0,2,0,1,0,0|1,0,0]=4 53274 B12R1.1414 CSCOCC1CCCCCC1 34a_100000699130_100011218213 [0,2,0,1,0,0|1,0,0]=4 53275 B12R1.1414 CSCOCC1CNCCOC1 34a_100103147999_100011218213 [0,2,0,1,0,0|1,0,0]=4 53276 B12R1.1414 CSCSCC1CCCCCC1 62a_100011218213_200000696569 [0,2,0,1,0,0|1,0,0]=4 53277 B12R1.1414 CSCSCC1CCCCCC1 62a_200000696569_100011218213 [0,2,0,1,0,0|1,0,0]=4 53278 B12R1.1414 ClCCCOC1CCCCCC1 34a_100000230001_100011217769 [0,2,0,1,0,0|1,0,0]=4 53279 B12R1.1414 FCCCCN1CCCCCC1 2230a_100000185865_100000729493 [0,2,0,1,0,0|1,0,0]=4 53280 B12R1.1414 FCCCCN1CCCCCC1 269982a_100000185865_100000729493 [0,2,0,1,0,0|1,0,0]=4 53281 B12R1.1414 FCCCCN1CCCCCC1 34a_100000185865_100000729493 [0,2,0,1,0,0|1,0,0]=4 53282 B12R1.1414 FCCCCN1CCCOCC1 2230a_100000685342_100000729493 [0,2,0,1,0,0|1,0,0]=4 53283 B12R1.1414 FCCCCN1CCCOCC1 269982a_100000685342_100000729493 [0,2,0,1,0,0|1,0,0]=4 53284 B12R1.1414 FCCCCN1CCCOCC1 34a_100000685342_100000729493 [0,2,0,1,0,0|1,0,0]=4 53285 B12R1.1414 FCCCNC1CCCCCC1 2230a_100000210984_100011934791 [0,2,0,1,0,0|1,0,0]=4 53286 B12R1.1414 FCCCNC1CCCCCC1 270004a_100015189416_100000210131 [0,2,0,1,0,0|1,0,0]=4 53287 B12R1.1414 FCCCNC1CCCCCC1 34a_100000210984_100011934791 [0,2,0,1,0,0|1,0,0]=4 53288 B12R1.1414 FCCCNC1CCCCCC1 34a_100015189416_100011217769 [0,2,0,1,0,0|1,0,0]=4 53289 B12R1.1414 FCCCOC1CCCCCC1 34a_100000210887_100011934791 [0,2,0,1,0,0|1,0,0]=4 53290 B12R1.1414 FCCCOC1CCCCCC1 34a_100000759539_100011217769 [0,2,0,1,0,0|1,0,0]=4 53291 B12R1.1414 FCCCOC1CCCCCC1 7a_100000210887_100011934791 [0,2,0,1,0,0|1,0,0]=4 53292 B12R1.1414 FCCCSC1CCCCCC1 62a_100011217769_100011934791 [0,2,0,1,0,0|1,0,0]=4 53293 B12R1.1414 FCCCSC1CCCCCC1 62a_100011934791_100011217769 [0,2,0,1,0,0|1,0,0]=4 53294 B12R1.1414 FCCNCC1CCCCCC1 2230a_100015204231_100011217306 [0,2,0,1,0,0|1,0,0]=4 53295 B12R1.1414 FCCNCC1CCCCCC1 269862a_100000724931_200000763224 [0,2,0,1,0,0|1,0,0]=4 53296 B12R1.1414 FCCNCC1CCCCCC1 34a_100000724931_200000696569 [0,2,0,1,0,0|1,0,0]=4 53297 B12R1.1414 FCCNCC1CCCCCC1 34a_100015204231_100011217306 [0,2,0,1,0,0|1,0,0]=4 53298 B12R1.1414 FCCOCC1CCCCCC1 34a_100000699130_100011217306 [0,2,0,1,0,0|1,0,0]=4 53299 B12R1.1414 FCCOCC1CCCCCC1 7a_100000699130_100011217306 [0,2,0,1,0,0|1,0,0]=4 53300 B12R1.1414 FCCOCC1CNCCOC1 34a_100103147999_100011217306 [0,2,0,1,0,0|1,0,0]=4 53301 B12R1.1414 FCCSCC1CCCCCC1 62a_100011217306_200000696569 [0,2,0,1,0,0|1,0,0]=4 53302 B12R1.1414 FCCSCC1CCCCCC1 62a_200000696569_100011217306 [0,2,0,1,0,0|1,0,0]=4 53303 B12R1.1414 FCNCCC1CCCCCC1 34a_100011532351_100015361967 [0,2,0,1,0,0|1,0,0]=4 53304 B12R1.1414 NCCCOC1CCCCCC1 34a_100000182051_100011217769 [0,2,0,1,0,0|1,0,0]=4 53305 B12R1.1414 NCCOCC1CCCCCC1 34a_100000210304_200000696569 [0,2,0,1,0,0|1,0,0]=4 53306 B12R1.1414 OCCCCN1CCCCCC1 2230a_100000185865_100000210776 [0,2,0,1,0,0|1,0,0]=4 53307 B12R1.1414 OCCCCN1CCCCCC1 269982a_100000185865_100000210776 [0,2,0,1,0,0|1,0,0]=4 53308 B12R1.1414 OCCCCN1CCCCCC1 34a_100000185865_100011216708 [0,2,0,1,0,0|1,0,0]=4 53309 B12R1.1414 OCCCCN1CCCOCC1 2230a_100000685342_100000210776 [0,2,0,1,0,0|1,0,0]=4 53310 B12R1.1414 OCCCCN1CCCOCC1 269982a_100000685342_100000210776 [0,2,0,1,0,0|1,0,0]=4 53311 B12R1.1414 OCCCCN1CCCOCC1 34a_100000685342_100011216708 [0,2,0,1,0,0|1,0,0]=4 53312 B12R1.1414 OCCCNC1CCCCCC1 2230a_100000210984_100000230001 [0,2,0,1,0,0|1,0,0]=4 53313 B12R1.1414 OCCCNC1CCCCCC1 270004a_100000182051_100000210131 [0,2,0,1,0,0|1,0,0]=4 53314 B12R1.1414 OCCCNC1CCCCCC1 34a_100000210984_100000230001 [0,2,0,1,0,0|1,0,0]=4 53315 B12R1.1414 OCCCOC1CCCCCC1 34a_100000210887_100000230001 [0,2,0,1,0,0|1,0,0]=4 53316 B12R1.1414 OCCCOC1CCCCCC1 7a_100000210887_100011215043 [0,2,0,1,0,0|1,0,0]=4 53317 B12R1.1414 OCCCSC1CCCCCC1 62a_100011215043_100011217769 [0,2,0,1,0,0|1,0,0]=4 53318 B12R1.1414 OCCCSC1CCCCCC1 62a_100011217769_100011215043 [0,2,0,1,0,0|1,0,0]=4 53319 B12R1.1414 OCCNCC1CCCCCC1 2230a_100015204231_100000211926 [0,2,0,1,0,0|1,0,0]=4 53320 B12R1.1414 OCCNCC1CCCCCC1 2230a_100016997473_200000696569 [0,2,0,1,0,0|1,0,0]=4 53321 B12R1.1414 OCCNCC1CCCCCC1 269862a_100000210304_200000763224 [0,2,0,1,0,0|1,0,0]=4 53322 B12R1.1414 OCCNCC1CCCCCC1 34a_100015204231_100000211926 [0,2,0,1,0,0|1,0,0]=4 53323 B12R1.1414 OCCNCC1CCCCCC1 34a_100016990907_200000696569 [0,2,0,1,0,0|1,0,0]=4 53324 B12R1.1414 OCCOCC1CCCCCC1 34a_100000699130_100000211926 [0,2,0,1,0,0|1,0,0]=4 53325 B12R1.1414 OCCOCC1CCCCCC1 7a_100000699130_100000211926 [0,2,0,1,0,0|1,0,0]=4 53326 B12R1.1414 OCCOCC1CNCCOC1 34a_100103147999_100000211926 [0,2,0,1,0,0|1,0,0]=4 53327 B12R1.1414 OCCSCC1CCCCCC1 62a_100000211926_200000696569 [0,2,0,1,0,0|1,0,0]=4 53328 B12R1.1414 OCCSCC1CCCCCC1 62a_200000696569_100000211926 [0,2,0,1,0,0|1,0,0]=4 53329 B12R1.1414 [13CH3]OCCCN1CCCCCC1 34a_100102886287_200025704644 [0,2,0,1,0,0|1,0,0]=4 53330 B12R1.1414 [13CH3]OCCCN1CCCCCC1 7a_100102886287_200025704644 [0,2,0,1,0,0|1,0,0]=4 53331 B12R1.483 CCC#CCC(C)OC1CCC1 34a_200000035118_100000749161 [0,2,0,1,0,0|0,0,1]=4 53332 B12R1.483 CCCCCC(=O)CC1CCC1 1458a_100000212188_100000763275 [0,2,0,1,0,0|1,0,0]=4 53333 B12R1.483 CCCCCC(=O)CC1CCC1 1458a_100000763092_100000210326 [0,2,0,1,0,0|1,0,0]=4 53334 B12R1.483 CCCCCC(=O)CC1CCO1 1458a_100000212188_100000103362 [0,2,0,1,0,0|1,0,0]=4 53335 B12R1.483 CCCCCC(=O)CC1COC1 1458a_100000212188_100010264016 [0,2,0,1,0,0|1,0,0]=4 53336 B12R1.483 CCCCCC(=O)CC1COC1 1458a_100000687760_100000210326 [0,2,0,1,0,0|1,0,0]=4 53337 B12R1.483 CCCCCC(=O)CN1CCC1 269982a_100000754969_200012276598 [0,2,0,1,0,0|1,0,0]=4 53338 B12R1.483 CCCCCC(=O)NC1CCC1 11a_100000749019_100000212188 [0,2,0,1,0,0|1,0,0]=4 53339 B12R1.483 CCCCCC(=O)NC1CCC1 1626a_100000749019_100000212188 [0,2,0,1,0,0|1,0,0]=4 53340 B12R1.483 CCCCCC(=O)NC1CCC1 240690a_100000749019_100000212188 [0,2,0,1,0,0|1,0,0]=4 53341 B12R1.483 CCCCCC(=O)NC1CCC1 527a_100000749019_100000212188 [0,2,0,1,0,0|1,0,0]=4 53342 B12R1.483 CCCCCC(C)NC1CCC1 2230a_100000749019_200011218191 [0,2,0,1,0,0|1,0,0]=4 53343 B12R1.483 CCCCCC(C)NC1CCC1 270004a_100000211957_100000241760 [0,2,0,1,0,0|1,0,0]=4 53344 B12R1.483 CCCCCC(C)NC1CCC1 34a_100000749019_200011218191 [0,2,0,1,0,0|1,0,0]=4 53345 B12R1.483 CCCCCC(C)OC1CCC1 34a_100000748187_200011218191 [0,2,0,1,0,0|0,0,0]=3 53346 B12R1.483 CCCCCC(C)OC1CCC1 34a_100011215632_100000749161 [0,2,0,1,0,0|0,0,0]=3 53347 B12R1.483 CCCCCC(C)OC1COC1 34a_100011215632_100009818527 [0,2,0,1,0,0|1,0,0]=4 53348 B12R1.483 CCCCCC(C)OC1COC1 7a_100011215632_100009818527 [0,2,0,1,0,0|1,0,0]=4 53349 B12R1.483 CCCCCC(C)OC1CSC1 7a_100000072292_200011218191 [0,2,0,1,0,0|1,0,0]=4 53350 B12R1.483 CCCCCC(C)SC1CCC1 62a_200011218191_100000749161 [0,2,0,1,0,0|0,1,0]=4 53351 B12R1.483 CCCCCN(C)CC1CCC1 2230a_100000223495_100000763275 [0,2,0,1,0,0|1,0,0]=4 53352 B12R1.483 CCCCCN(C)CC1CCC1 2230a_200000750244_100000210326 [0,2,0,1,0,0|1,0,0]=4 53353 B12R1.483 CCCCCN(C)CC1CCC1 269982a_100000223495_100000763275 [0,2,0,1,0,0|1,0,0]=4 53354 B12R1.483 CCCCCN(C)CC1CCC1 269982a_200000750244_100000210215 [0,2,0,1,0,0|1,0,0]=4 53355 B12R1.483 CCCCCN(C)CC1CCC1 34a_200000750244_100000718602 [0,2,0,1,0,0|1,0,0]=4 53356 B12R1.483 CCCCCN(C)CC1CCO1 2230a_100000223495_100000103362 [0,2,0,1,0,0|1,0,0]=4 53357 B12R1.483 CCCCCN(C)CC1CCO1 269982a_100000223495_100000103362 [0,2,0,1,0,0|1,0,0]=4 53358 B12R1.483 CCCCCN(C)CC1COC1 2230a_100000223495_100010264016 [0,2,0,1,0,0|1,0,0]=4 53359 B12R1.483 CCCCCN(C)CC1COC1 269982a_100000223495_100010264016 [0,2,0,1,0,0|1,0,0]=4 53360 B12R1.483 CCCCNC(=O)CC1CCC1 11a_100000102301_100000763092 [0,2,0,1,0,0|1,0,0]=4 53361 B12R1.483 CCCCNC(=O)CC1CCC1 1626a_100000102301_100000763092 [0,2,0,1,0,0|1,0,0]=4 53362 B12R1.483 CCCCNC(=O)CC1CCC1 240690a_100000102301_100000763092 [0,2,0,1,0,0|1,0,0]=4 53363 B12R1.483 CCCCNC(=O)CC1CCC1 527a_100000102301_100000763092 [0,2,0,1,0,0|1,0,0]=4 53364 B12R1.483 CCCCOC(=O)CN1CCC1 269982a_100000754969_100000211628 [0,2,0,1,0,0|0,0,1]=4 53365 B12R1.483 CCCOCC(=O)CC1CCC1 1458a_100000745993_100000763275 [0,2,0,1,0,0|1,0,0]=4 53366 B12R1.483 CCCSCC(=O)CC1CCC1 1458a_100000217233_100000763275 [0,2,0,1,0,0|1,0,0]=4 53367 B12R1.483 CCOCCC(=O)CC1CCC1 1458a_100000749530_100000763275 [0,2,0,1,0,0|1,0,0]=4 53368 B12R1.483 CCOCCC(=O)CC1CCC1 1458a_100000763092_100011215890 [0,2,0,1,0,0|1,0,0]=4 53369 B12R1.483 CCOCCN(C)CC1CCC1 2230a_200000750244_100011215890 [0,2,0,1,0,0|1,0,0]=4 53370 B12R1.483 CCOCCN(C)CC1CCC1 269982a_200000750244_100011215890 [0,2,0,1,0,0|1,0,0]=4 53371 B12R1.483 CCOCCN(C)CC1CCC1 34a_200000750244_100000210147 [0,2,0,1,0,0|1,0,0]=4 53372 B12R1.483 CCSCCC(=O)CC1CCC1 1458a_100000230768_100000763275 [0,2,0,1,0,0|1,0,0]=4 53373 B12R1.483 CCSCCC(=O)CC1CCC1 1458a_100000763092_100000757381 [0,2,0,1,0,0|1,0,0]=4 53374 B12R1.483 CCSCCN(C)CC1CCC1 2230a_200000750244_100000757381 [0,2,0,1,0,0|1,0,0]=4 53375 B12R1.483 CCSCCN(C)CC1CCC1 269982a_200000750244_100000757381 [0,2,0,1,0,0|1,0,0]=4 53376 B12R1.483 CCSCCN(C)CC1CCC1 34a_200000750244_100000757381 [0,2,0,1,0,0|1,0,0]=4 53377 B12R1.483 CN(CCCCF)CC1CCC1 2230a_200000750244_100000729493 [0,2,0,1,0,0|1,0,0]=4 53378 B12R1.483 CN(CCCCF)CC1CCC1 269982a_200000750244_100000729493 [0,2,0,1,0,0|1,0,0]=4 53379 B12R1.483 CN(CCCCF)CC1CCC1 34a_200000750244_100000729493 [0,2,0,1,0,0|1,0,0]=4 53380 B12R1.483 CN(CCCCO)CC1CCC1 2230a_100000717598_100000763275 [0,2,0,1,0,0|1,0,0]=4 53381 B12R1.483 CN(CCCCO)CC1CCC1 2230a_200000750244_100000210776 [0,2,0,1,0,0|1,0,0]=4 53382 B12R1.483 CN(CCCCO)CC1CCC1 269982a_100000717598_100000763275 [0,2,0,1,0,0|1,0,0]=4 53383 B12R1.483 CN(CCCCO)CC1CCC1 269982a_200000750244_100000210776 [0,2,0,1,0,0|1,0,0]=4 53384 B12R1.483 CN(CCCCO)CC1CCC1 34a_200000750244_100011216708 [0,2,0,1,0,0|1,0,0]=4 53385 B12R1.483 COCCCC(=O)CC1CCC1 1458a_100000741012_100000763275 [0,2,0,1,0,0|1,0,0]=4 53386 B12R1.483 COCCCC(=O)CC1CCC1 1458a_100000763092_100000740836 [0,2,0,1,0,0|1,0,0]=4 53387 B12R1.483 COCCCC(C)OC1CCC1 34a_200011539412_100000749161 [0,2,0,1,0,0|0,0,0]=3 53388 B12R1.483 COCCCC(C)OC1COC1 34a_200011539412_100009818527 [0,2,0,1,0,0|1,0,0]=4 53389 B12R1.483 COCCCC(C)OC1COC1 7a_200011539412_100009818527 [0,2,0,1,0,0|1,0,0]=4 53390 B12R1.483 COCCCN(C)CC1CCC1 2230a_100000224831_100000763275 [0,2,0,1,0,0|1,0,0]=4 53391 B12R1.483 COCCCN(C)CC1CCC1 2230a_200000750244_100000740836 [0,2,0,1,0,0|1,0,0]=4 53392 B12R1.483 COCCCN(C)CC1CCC1 269982a_100000224831_100000763275 [0,2,0,1,0,0|1,0,0]=4 53393 B12R1.483 COCCCN(C)CC1CCC1 269982a_200000750244_100000740836 [0,2,0,1,0,0|1,0,0]=4 53394 B12R1.483 COCCCN(C)CC1CCC1 34a_200000750244_100000740836 [0,2,0,1,0,0|1,0,0]=4 53395 B12R1.483 CSCCCC(=O)CC1CCC1 1458a_100000173376_100000763275 [0,2,0,1,0,0|1,0,0]=4 53396 B12R1.483 O=C(CCCCF)CC1CCC1 1458a_100000763092_100000729493 [0,2,0,1,0,0|1,0,0]=4 53397 B12R1.483 O=C(CCCCO)CC1CCC1 1458a_100000695505_100000763275 [0,2,0,1,0,0|1,0,0]=4 53398 B12R1.483 O=C(CCCCO)CC1CCC1 1458a_100000763092_100000210776 [0,2,0,1,0,0|1,0,0]=4 53399 B12R1.485 CCCCCC(=O)N1CCC1C 11a_100000755817_100000212188 [0,2,0,1,0,0|1,0,0]=4 53400 B12R1.485 CCCCCC(=O)N1CCC1C 240690a_100000755817_100000212188 [0,2,0,1,0,0|1,0,0]=4 53401 B12R1.485 CCCCCC(=O)N1CCC1C 527a_100000755817_100000212188 [0,2,0,1,0,0|1,0,0]=4 53402 B12R1.485 CCCCCC(C)N1CCC1C 269982a_100000755817_200011218191 [0,2,0,1,0,0|1,0,0]=4 53403 B12R1.485 CCCCCC(C)N1CCC1C 34a_100000755817_200011218191 [0,2,0,1,0,0|1,0,0]=4 53404 B12R1.1631 CCCCN1C(CCCC1C)C 2230a_100000210447_100000210211 [0,2,0,1,0,0|1,0,0]=4 53405 B12R1.1631 CCCCN1C(CCCC1C)C 269982a_100000210447_100000210211 [0,2,0,1,0,0|1,0,0]=4 53406 B12R1.1631 CCCCN1C(CCCC1C)C 34a_100000210447_100000210210 [0,2,0,1,0,0|1,0,0]=4 53407 B12R1.1631 CCCCN1[C@@H](COC[C@@H]1C)C 2230a_100103153222_100000210211 [0,2,0,1,0,0|1,0,0]=4 53408 B12R1.1631 CCCCN1[C@@H](COC[C@@H]1C)C 269982a_100103153222_100000210211 [0,2,0,1,0,0|1,0,0]=4 53409 B12R1.1631 CCCCN1[C@@H](COC[C@@H]1C)C 34a_100103153222_100000210210 [0,2,0,1,0,0|1,0,0]=4 53410 B12R1.1631 CCCNC1C(CCCC1C)C 269862a_100020643023_100000211995 [0,2,0,1,0,0|1,0,0]=4 53411 B12R1.1631 CCCOC1C(CCCC1C)C 34a_100011218088_100000210303 [0,2,0,1,0,0|1,0,0]=4 53412 B12R1.1631 CCCOC1C(CCCC1C)C 7a_100011218088_100000210303 [0,2,0,1,0,0|1,0,0]=4 53413 B12R1.1997 CC1(CCCCC1)OCCCF 34a_100011215885_100011934791 [0,2,0,1,0,0|1,0,0]=4 53414 B12R1.1997 CC1(CCCCC1)OCCCF 7a_100011215885_100011934791 [0,2,0,1,0,0|1,0,0]=4 53415 B12R1.1997 CC1(CCCCC1)OCCCO 34a_100011215885_100000230001 [0,2,0,1,0,0|1,0,0]=4 53416 B12R1.1997 CC1(CCCCC1)OCCCO 7a_100011215885_100011215043 [0,2,0,1,0,0|1,0,0]=4 53417 B12R1.1997 CC1(CCOCC1)OCCCF 34a_100011827762_100011934791 [0,2,0,1,0,0|1,0,0]=4 53418 B12R1.1997 CC1(CCOCC1)OCCCF 7a_100011827762_100011934791 [0,2,0,1,0,0|1,0,0]=4 53419 B12R1.1997 CC1(CCOCC1)OCCCO 34a_100011827762_100000230001 [0,2,0,1,0,0|1,0,0]=4 53420 B12R1.1997 CC1(CCOCC1)OCCCO 7a_100011827762_100011215043 [0,2,0,1,0,0|1,0,0]=4 53421 B12R1.1997 CC1(CCSCC1)OCCCF 34a_200011004327_100011934791 [0,2,0,1,0,0|1,0,0]=4 53422 B12R1.1997 CC1(CCSCC1)OCCCF 7a_200011004327_100011934791 [0,2,0,1,0,0|1,0,0]=4 53423 B12R1.1997 CC1(CCSCC1)OCCCO 34a_200011004327_100000230001 [0,2,0,1,0,0|1,0,0]=4 53424 B12R1.1997 CC1(CCSCC1)OCCCO 7a_200011004327_100011215043 [0,2,0,1,0,0|1,0,0]=4 53425 B12R1.1997 CCCCNC1(CCCCC1)C 2230a_100000741114_100000210211 [0,2,0,1,0,0|1,0,0]=4 53426 B12R1.1997 CCCCNC1(CCCCC1)C 34a_100000741114_100000210210 [0,2,0,1,0,0|1,0,0]=4 53427 B12R1.1997 CCCCNC1(CCOCC1)C 2230a_100000692449_100000210211 [0,2,0,1,0,0|1,0,0]=4 53428 B12R1.1997 CCCCNC1(CCOCC1)C 34a_100000692449_100000210210 [0,2,0,1,0,0|1,0,0]=4 53429 B12R1.1997 CCCCOC1(CCCCC1)C 34a_100011215885_100000210210 [0,2,0,1,0,0|0,0,0]=3 53430 B12R1.1997 CCCCOC1(CCCCC1)C 7a_100011215885_100000210211 [0,2,0,1,0,0|0,0,0]=3 53431 B12R1.1997 CCCCOC1(CCOCC1)C 34a_100011827762_100000210210 [0,2,0,1,0,0|0,0,0]=3 53432 B12R1.1997 CCCCOC1(CCOCC1)C 7a_100011827762_100000210211 [0,2,0,1,0,0|0,0,0]=3 53433 B12R1.1997 CCCCOC1(CCSCC1)C 34a_200011004327_100000210210 [0,2,0,1,0,0|0,0,0]=3 53434 B12R1.1997 CCCCOC1(CCSCC1)C 7a_200011004327_100000210211 [0,2,0,1,0,0|0,0,0]=3 53435 B12R1.1997 CCCNCC1(CCCCC1)C 2230a_100000706052_100000210303 [0,2,0,1,0,0|1,0,0]=4 53436 B12R1.1997 CCCNCC1(CCCCC1)C 269862a_100020643023_100011935227 [0,2,0,1,0,0|1,0,0]=4 53437 B12R1.1997 CCCNCC1(CCCCC1)C 34a_100000706052_100000210303 [0,2,0,1,0,0|1,0,0]=4 53438 B12R1.1997 CCCNCC1(CCCCC1)O 2230a_100000748649_100000210303 [0,2,0,1,0,0|1,0,0]=4 53439 B12R1.1997 CCCNCC1(CCCCC1)O 34a_100000748649_100000210303 [0,2,0,1,0,0|1,0,0]=4 53440 B12R1.1997 CCCOCC1(CCCCC1)C 34a_100000688186_100000210303 [0,2,0,1,0,0|1,0,0]=4 53441 B12R1.1997 CCCOCC1(CCCCC1)C 7a_100000688186_100000210303 [0,2,0,1,0,0|1,0,0]=4 53442 B12R1.1997 CCCOCC1(CCCCC1)F 34a_100000090305_100000210303 [0,2,0,1,0,0|1,0,0]=4 53443 B12R1.1997 CCCOCC1(CCCCC1)F 7a_100000090305_100000210303 [0,2,0,1,0,0|1,0,0]=4 53444 B12R1.1997 CCCOCC1(CCCCC1)N 34a_100000740034_100000210303 [0,2,0,1,0,0|1,0,0]=4 53445 B12R1.1997 CCNCCC1(CCCCC1)O 2230a_100102740465_100000210202 [0,2,0,1,0,0|1,0,0]=4 53446 B12R1.1997 CCNCCC1(CCCCC1)O 34a_100102740465_100000210202 [0,2,0,1,0,0|1,0,0]=4 53447 B12R1.1997 COCCOC1(CCCCC1)C 34a_100011215885_100011201679 [0,2,0,1,0,0|1,0,0]=4 53448 B12R1.1997 COCCOC1(CCCCC1)C 7a_100011215885_100000233755 [0,2,0,1,0,0|1,0,0]=4 53449 B12R1.1997 COCCOC1(CCOCC1)C 34a_100011827762_100011201679 [0,2,0,1,0,0|1,0,0]=4 53450 B12R1.1997 COCCOC1(CCOCC1)C 7a_100011827762_100000233755 [0,2,0,1,0,0|1,0,0]=4 53451 B12R1.1997 COCCOC1(CCSCC1)C 34a_200011004327_100011201679 [0,2,0,1,0,0|1,0,0]=4 53452 B12R1.1997 COCCOC1(CCSCC1)C 7a_200011004327_100000233755 [0,2,0,1,0,0|1,0,0]=4 53453 B12R1.1997 CSCCOC1(CCCCC1)C 34a_100011215885_100000212216 [0,2,0,1,0,0|1,0,0]=4 53454 B12R1.1997 CSCCOC1(CCCCC1)C 7a_100011215885_100000212216 [0,2,0,1,0,0|1,0,0]=4 53455 B12R1.1997 CSCCOC1(CCOCC1)C 34a_100011827762_100000212216 [0,2,0,1,0,0|1,0,0]=4 53456 B12R1.1997 CSCCOC1(CCOCC1)C 7a_100011827762_100000212216 [0,2,0,1,0,0|1,0,0]=4 53457 B12R1.1997 CSCCOC1(CCSCC1)C 34a_200011004327_100000212216 [0,2,0,1,0,0|1,0,0]=4 53458 B12R1.1997 CSCCOC1(CCSCC1)C 7a_200011004327_100000212216 [0,2,0,1,0,0|1,0,0]=4 53459 B12R1.70 CCCCN1CCC(CC1)(C)C 2230a_100000750138_100000210211 [0,2,0,1,0,0|1,0,0]=4 53460 B12R1.70 CCCCN1CCC(CC1)(C)C 269982a_100000750138_100000210211 [0,2,0,1,0,0|1,0,0]=4 53461 B12R1.70 CCCCN1CCC(CC1)(C)O 2230a_100000690209_100000210211 [0,2,0,1,0,0|1,0,0]=4 53462 B12R1.70 CCCCN1CCC(CC1)(C)O 269982a_100000690209_100000210211 [0,2,0,1,0,0|1,0,0]=4 53463 B12R1.70 CCCCN1CCC(CC1)(F)F 2230a_100000724815_100000210211 [0,2,0,1,0,0|1,0,0]=4 53464 B12R1.70 CCCCN1CCC(CC1)(F)F 269982a_100000724815_100000210211 [0,2,0,1,0,0|1,0,0]=4 53465 B12R1.70 CCCCN1CCC(CC1)(F)F 34a_100000724815_100000210210 [0,2,0,1,0,0|1,0,0]=4 53466 B12R1.70 CCCCN1CCC(CC1)(O)O 269982a_100016987284_100000210211 [0,2,0,1,0,0|1,0,0]=4 53467 B12R1.196 CC(C)(CCl)COC1CCCC1 7a_100011217199_100000179811 [0,2,0,1,0,0|1,0,0]=4 53468 B12R1.196 CC(C)(CO)COC1CCCC1 34a_100000210269_100009813988 [0,2,0,1,0,0|1,0,0]=4 53469 B12R1.196 CC(C)(CO)COC1CCCC1 7a_100000210269_100009813988 [0,2,0,1,0,0|1,0,0]=4 53470 B12R1.196 CCC(C)(C)COC1CCCC1 7a_100000765029_100000179811 [0,2,0,1,0,0|0,0,0]=3 53471 B12R1.196 CCC(C)(C)COC1CCOC1 7a_100000765029_100000731011 [0,2,0,1,0,0|1,0,0]=4 53472 B12R1.196 COC(C)(C)COC1CCCC1 34a_100000210269_100000701081 [0,2,0,1,0,0|1,0,0]=4 53473 B12R1.196 NCC(F)(F)COC1CCCC1 34a_100000703232_100000179811 [0,2,0,1,0,0|1,0,0]=4 53474 B12R1.197 CC(C)(CCl)COCCC1CC1 7a_100011217199_100000764125 [0,2,0,1,0,0|1,0,0]=4 53475 B12R1.197 CC(C)(CO)COCCC1CC1 34a_100000754188_100009813988 [0,2,0,1,0,0|1,0,0]=4 53476 B12R1.197 CC(C)(CO)COCCC1CC1 7a_100000754188_100009813988 [0,2,0,1,0,0|1,0,0]=4 53477 B12R1.197 CCC(C)(C)COCCC1CC1 7a_100000765029_100000764125 [0,2,0,1,0,0|0,0,0]=3 53478 B12R1.197 CCC(C)(C)COCCC1CO1 7a_100000765029_100000732470 [0,2,0,1,0,0|1,0,0]=4 53479 B12R1.197 CCS(=O)(=O)CCOCC1CC1 34a_100000211283_100000756660 [0,2,0,1,0,0|1,0,0]=4 53480 B12R1.197 CCS(=O)(=O)CCOCC1CC1 34a_200011216379_100000742324 [0,2,0,1,0,0|1,0,0]=4 53481 B12R1.197 CCS(=O)(=O)CCOCC1CC1 7a_200011216379_100000742324 [0,2,0,1,0,0|1,0,0]=4 53482 B12R1.197 COC(C)(C)CCOCC1CC1 7a_100000699976_100000742324 [0,2,0,1,0,0|1,0,0]=4 53483 B12R1.197 COC(C)(C)COCCC1CC1 34a_100000754188_100000701081 [0,2,0,1,0,0|1,0,0]=4 53484 B12R1.197 NCC(F)(F)COCCC1CC1 34a_100000703232_100000694398 [0,2,0,1,0,0|1,0,0]=4 53485 B12R1.203 CC(C)(CCl)COCC1CCC1 7a_100011217199_100000763275 [0,2,0,1,0,0|1,0,0]=4 53486 B12R1.203 CC(C)(CO)COCC1CCC1 34a_100000760304_100009813988 [0,2,0,1,0,0|1,0,0]=4 53487 B12R1.203 CCC(C)(C)COCC1CCC1 7a_100000765029_100000763275 [0,2,0,1,0,0|0,0,0]=3 53488 B12R1.203 CCC(C)(C)COCC1CCO1 7a_100000765029_100000103362 [0,2,0,1,0,0|1,0,0]=4 53489 B12R1.203 CCC(C)(C)COCC1COC1 7a_100000765029_100010264016 [0,2,0,1,0,0|1,0,0]=4 53490 B12R1.203 CCS(=O)(=O)CCOC1CCC1 34a_100000748187_100000756660 [0,2,0,1,0,0|1,0,0]=4 53491 B12R1.203 CCS(=O)(=O)CCOC1CCC1 34a_200011216379_100000749161 [0,2,0,1,0,0|1,0,0]=4 53492 B12R1.203 COC(C)(C)COCC1CCC1 34a_100000760304_100000701081 [0,2,0,1,0,0|1,0,0]=4 53493 B12R1.203 NCC(F)(F)COCC1CCC1 34a_100000703232_100000763275 [0,2,0,1,0,0|1,0,0]=4 53494 B12R1.1170 CC1CC1COCC(C)(C)CO 34a_100000744939_100009813988 [0,2,0,1,0,0|1,0,0]=4 53495 B12R1.1170 CC1CC1COCC(C)(C)CO 7a_100000744939_100009813988 [0,2,0,1,0,0|1,0,0]=4 53496 B12R1.1170 COC(C)(C)COCC1CC1C 34a_100000744939_100000701081 [0,2,0,1,0,0|1,0,0]=4 53497 B12R1.1763 CCCCN1CCC(C1C)(C)C 2230a_100102837566_100000210211 [0,2,0,1,0,0|1,0,0]=4 53498 B12R1.1763 CCCCN1CCC(C1C)(C)C 269982a_100102837566_100000210211 [0,2,0,1,0,0|1,0,0]=4 53499 B12R1.1763 CCCCN1CCC(C1C)(C)C 34a_100102837566_100000210210 [0,2,0,1,0,0|1,0,0]=4 53500 B12R1.3209 CCCCCN1CC(C1)(O)CC 2230a_100015191684_100000210326 [0,2,0,1,0,0|1,0,0]=4 53501 B12R1.3209 CCCCCN1CC(C1)(O)CC 269982a_100015191684_100000210215 [0,2,0,1,0,0|1,0,0]=4 53502 B12R1.3670 C#CC1(CC1)NCOCCCC 34a_100020639468_100011995733 [0,2,0,1,0,0|1,0,0]=4 53503 B12R1.3670 CCC1(CO1)COCCCCBr 34a_100011216708_200000139556 [0,2,0,1,0,0|1,0,0]=4 53504 B12R1.3670 CCC1(CO1)COCCCCCl 34a_100000210776_200000139556 [0,2,0,1,0,0|1,0,0]=4 53505 B12R1.3670 CCC1(CO1)COCCCCCl 7a_100000210776_200000139556 [0,2,0,1,0,0|1,0,0]=4 53506 B12R1.3670 CCC1(CO1)COCCCCF 34a_100011995726_200000139556 [0,2,0,1,0,0|1,0,0]=4 53507 B12R1.3670 CCC1(CO1)COCCCCF 7a_100011995726_200000139556 [0,2,0,1,0,0|1,0,0]=4 53508 B12R1.3670 CCC1(CO1)COCCCCI 34a_200012148704_200000139556 [0,2,0,1,0,0|1,0,0]=4 53509 B12R1.3670 CCC1(CO1)COCCCCN 34a_100000750430_200000139556 [0,2,0,1,0,0|1,0,0]=4 53510 B12R1.3670 CCC1(CO1)COCCCNC 34a_100000213112_200000139556 [0,2,0,1,0,0|1,0,0]=4 53511 B12R1.3670 CCC1(CO1)COCCCOC 34a_100000740835_200000139556 [0,2,0,1,0,0|1,0,0]=4 53512 B12R1.3670 CCC1(CO1)COCCCSC 34a_100000690336_200000139556 [0,2,0,1,0,0|1,0,0]=4 53513 B12R1.3670 CCC1(CO1)COCCCSC 7a_100000690336_200000139556 [0,2,0,1,0,0|1,0,0]=4 53514 B12R1.3670 CCCCCNCC1(CC1)C#N 2230a_100000209983_100000695377 [0,2,0,1,0,0|1,0,0]=4 53515 B12R1.3670 CCCCCNCC1(CC1)C#N 2230a_100000725504_100000210326 [0,2,0,1,0,0|1,0,0]=4 53516 B12R1.3670 CCCCCNCC1(CC1)CO 2230a_100000757901_100000210326 [0,2,0,1,0,0|1,0,0]=4 53517 B12R1.3670 CCCCCOCC1(CC1)C#N 34a_100000210253_100000695377 [0,2,0,1,0,0|0,0,0]=3 53518 B12R1.3670 CCCCCOCC1(CC1)C#N 34a_100000688837_100000718602 [0,2,0,1,0,0|0,0,0]=3 53519 B12R1.3670 CCCCCOCC1(CC1)C#N 7a_100000210253_100000695377 [0,2,0,1,0,0|0,0,0]=3 53520 B12R1.3670 CCCCCOCC1(CC1)C#N 7a_100000688837_100000210326 [0,2,0,1,0,0|0,0,0]=3 53521 B12R1.3670 CCCCCOCC1(CO1)CC 34a_100000210253_200000139556 [0,2,0,1,0,0|0,0,0]=3 53522 B12R1.3670 CCCCCOCC1(CO1)CC 7a_100000210253_200000139556 [0,2,0,1,0,0|0,0,0]=3 53523 B12R1.3670 CCCCCSCC1(CC1)C#N 62a_100000210326_100000695377 [0,2,0,1,0,0|0,1,0]=4 53524 B12R1.3670 CCCCCSCC1(CC1)C#N 62a_100000695377_100000210326 [0,2,0,1,0,0|0,1,0]=4 53525 B12R1.3670 CCCCCSCC1(CO1)CC 62a_100000210326_200000139556 [0,2,0,1,0,0|0,1,0]=4 53526 B12R1.3670 CCCCCSCC1(CO1)CC 62a_200000139556_100000210326 [0,2,0,1,0,0|0,1,0]=4 53527 B12R1.3670 CCCCOCNC1(CC1)C#N 2230a_100000756336_100011995733 [0,2,0,1,0,0|1,0,0]=4 53528 B12R1.3670 CCCCOCNC1(CC1)C#N 34a_100000756336_100011995733 [0,2,0,1,0,0|1,0,0]=4 53529 B12R1.3670 CCCCOCNC1(CC1)CC 2230a_100000732774_100011995733 [0,2,0,1,0,0|1,0,0]=4 53530 B12R1.3670 CCCCOCNC1(CC1)CF 2230a_100000054953_100011995733 [0,2,0,1,0,0|1,0,0]=4 53531 B12R1.3670 CCCCOCNC1(CC1)CF 34a_100000054953_100011995733 [0,2,0,1,0,0|1,0,0]=4 53532 B12R1.3670 CCCCOCSC1(CC1)C#N 62a_100009889376_100011995733 [0,2,0,1,0,0|1,0,0]=4 53533 B12R1.3670 CCCCOCSC1(CC1)C#N 62a_100011995733_100009889376 [0,2,0,1,0,0|1,0,0]=4 53534 B12R1.3670 CCOCCOCC1(CC1)C#N 34a_100000210136_100000695377 [0,2,0,1,0,0|1,0,0]=4 53535 B12R1.3670 CCOCCOCC1(CC1)C#N 34a_100000688837_100000210147 [0,2,0,1,0,0|1,0,0]=4 53536 B12R1.3670 CCOCCOCC1(CC1)C#N 7a_100000210136_100000695377 [0,2,0,1,0,0|1,0,0]=4 53537 B12R1.3670 CCOCCOCC1(CC1)C#N 7a_100000688837_100011215890 [0,2,0,1,0,0|1,0,0]=4 53538 B12R1.3670 CCOCCOCC1(CO1)CC 34a_100000210136_200000139556 [0,2,0,1,0,0|1,0,0]=4 53539 B12R1.3670 CCOCCOCC1(CO1)CC 7a_100000210136_200000139556 [0,2,0,1,0,0|1,0,0]=4 53540 B12R1.3670 CCSCCOCC1(CC1)C#N 34a_100000212035_100000695377 [0,2,0,1,0,0|1,0,0]=4 53541 B12R1.3670 CCSCCOCC1(CC1)C#N 34a_100000688837_100000757381 [0,2,0,1,0,0|1,0,0]=4 53542 B12R1.3670 CCSCCOCC1(CC1)C#N 7a_100000212035_100000695377 [0,2,0,1,0,0|1,0,0]=4 53543 B12R1.3670 CCSCCOCC1(CC1)C#N 7a_100000688837_100000757381 [0,2,0,1,0,0|1,0,0]=4 53544 B12R1.3670 CCSCCOCC1(CO1)CC 34a_100000212035_200000139556 [0,2,0,1,0,0|1,0,0]=4 53545 B12R1.3670 CCSCCOCC1(CO1)CC 7a_100000212035_200000139556 [0,2,0,1,0,0|1,0,0]=4 53546 B12R1.3670 CNCCCOCC1(CC1)C#N 34a_100000213112_100000695377 [0,2,0,1,0,0|1,0,0]=4 53547 B12R1.3670 COCCCOCC1(CC1)C#N 34a_100000688837_100000740836 [0,2,0,1,0,0|1,0,0]=4 53548 B12R1.3670 COCCCOCC1(CC1)C#N 34a_100000740835_100000695377 [0,2,0,1,0,0|1,0,0]=4 53549 B12R1.3670 COCCCOCC1(CC1)C#N 7a_100000688837_100000740836 [0,2,0,1,0,0|1,0,0]=4 53550 B12R1.3670 CSCCCOCC1(CC1)C#N 34a_100000690336_100000695377 [0,2,0,1,0,0|1,0,0]=4 53551 B12R1.3670 CSCCCOCC1(CC1)C#N 7a_100000690336_100000695377 [0,2,0,1,0,0|1,0,0]=4 53552 B12R1.3670 N#CC1(CC1)COCCCCBr 34a_100011216708_100000695377 [0,2,0,1,0,0|1,0,0]=4 53553 B12R1.3670 N#CC1(CC1)COCCCCCl 34a_100000210776_100000695377 [0,2,0,1,0,0|1,0,0]=4 53554 B12R1.3670 N#CC1(CC1)COCCCCCl 7a_100000210776_100000695377 [0,2,0,1,0,0|1,0,0]=4 53555 B12R1.3670 N#CC1(CC1)COCCCCF 34a_100000688837_100000729493 [0,2,0,1,0,0|1,0,0]=4 53556 B12R1.3670 N#CC1(CC1)COCCCCF 34a_100011995726_100000695377 [0,2,0,1,0,0|1,0,0]=4 53557 B12R1.3670 N#CC1(CC1)COCCCCF 7a_100000688837_100000729493 [0,2,0,1,0,0|1,0,0]=4 53558 B12R1.3670 N#CC1(CC1)COCCCCF 7a_100011995726_100000695377 [0,2,0,1,0,0|1,0,0]=4 53559 B12R1.3670 N#CC1(CC1)COCCCCI 34a_200012148704_100000695377 [0,2,0,1,0,0|1,0,0]=4 53560 B12R1.3670 N#CC1(CC1)COCCCCN 34a_100000750430_100000695377 [0,2,0,1,0,0|1,0,0]=4 53561 B12R1.3670 N#CC1(CC1)COCCCCO 34a_100000688837_100011216708 [0,2,0,1,0,0|1,0,0]=4 53562 B12R1.3670 N#CC1(CC1)COCCCCO 7a_100000688837_100000210776 [0,2,0,1,0,0|1,0,0]=4 53563 B12R1.71 C#CC1CCN(CC1)CCCC 2230a_100016991398_100000210211 [0,2,0,1,0,0|1,0,0]=4 53564 B12R1.71 C#CC1CCN(CC1)CCCC 269982a_100016991398_100000210211 [0,2,0,1,0,0|1,0,0]=4 53565 B12R1.71 C#CC1CCN(CC1)CCCC 34a_100016991398_100000210210 [0,2,0,1,0,0|1,0,0]=4 53566 B12R1.71 CCCCC1CCC(CC1)NC 2230a_100000745173_200000210301 [0,2,0,1,0,0|1,0,0]=4 53567 B12R1.71 CCCCC1CCC(CC1)NC 34a_100000745173_200000210301 [0,2,0,1,0,0|1,0,0]=4 53568 B12R1.71 CCCCC1CCC(CC1)N[13CH3] 2230a_100000745173_200025704644 [0,2,0,1,0,0|1,0,0]=4 53569 B12R1.71 CCCCC1CCC(CC1)N[13CH3] 34a_100000745173_200025704644 [0,2,0,1,0,0|1,0,0]=4 53570 B12R1.71 CCCCC1CCC(CC1)OC 34a_200000035503_200000210301 [0,2,0,1,0,0|1,0,0]=4 53571 B12R1.71 CCCCC1CCC(CC1)OC 7a_200000035503_200000210301 [0,2,0,1,0,0|1,0,0]=4 53572 B12R1.71 CCCCC1CCC(CC1)O[13CH3] 34a_200000035503_200025704644 [0,2,0,1,0,0|1,0,0]=4 53573 B12R1.71 CCCCC1CCC(CC1)O[13CH3] 7a_200000035503_200025704644 [0,2,0,1,0,0|1,0,0]=4 53574 B12R1.71 CCCCN1CCC(CC1)C#N 2230a_100000747632_100000210211 [0,2,0,1,0,0|1,0,0]=4 53575 B12R1.71 CCCCN1CCC(CC1)CC 2230a_100000754474_100000210211 [0,2,0,1,0,0|1,0,0]=4 53576 B12R1.71 CCCCN1CCC(CC1)CC 269982a_100000754474_100000210211 [0,2,0,1,0,0|1,0,0]=4 53577 B12R1.71 CCCCN1CCC(CC1)CC 34a_100000754474_100000210210 [0,2,0,1,0,0|1,0,0]=4 53578 B12R1.71 CCCCN1CCC(CC1)CF 2230a_100015203933_100000210211 [0,2,0,1,0,0|1,0,0]=4 53579 B12R1.71 CCCCN1CCC(CC1)CF 269982a_100015203933_100000210211 [0,2,0,1,0,0|1,0,0]=4 53580 B12R1.71 CCCCN1CCC(CC1)CF 34a_100015203933_100000210210 [0,2,0,1,0,0|1,0,0]=4 53581 B12R1.71 CCCCN1CCC(CC1)CO 2230a_100000738675_100000210211 [0,2,0,1,0,0|1,0,0]=4 53582 B12R1.71 CCCCN1CCC(CC1)CO 269982a_100000738675_100000210211 [0,2,0,1,0,0|1,0,0]=4 53583 B12R1.71 CCCCN1CCC(CC1)CO 34a_100000738675_100000210210 [0,2,0,1,0,0|1,0,0]=4 53584 B12R1.71 CCCCN1CCC(CC1)NC 2230a_100000746687_200000210301 [0,2,0,1,0,0|1,0,0]=4 53585 B12R1.71 CCCCN1CCC(CC1)NC 270004a_106832991635_100000228144 [0,2,0,1,0,0|1,0,0]=4 53586 B12R1.71 CCCCN1CCC(CC1)N[13CH3] 2230a_100000746687_200025704644 [0,2,0,1,0,0|1,0,0]=4 53587 B12R1.71 CCCCN1CCC(CC1)OC 2230a_100000234800_100000210211 [0,2,0,1,0,0|1,0,0]=4 53588 B12R1.71 CCCCN1CCC(CC1)OC 269982a_100000234800_100000210211 [0,2,0,1,0,0|1,0,0]=4 53589 B12R1.71 CCCCN1CCC(CC1)OC 34a_100000234800_100000210210 [0,2,0,1,0,0|1,0,0]=4 53590 B12R1.71 CCCCN1CCC(CC1)SC 2230a_100015202541_100000210211 [0,2,0,1,0,0|1,0,0]=4 53591 B12R1.71 CCCCN1CCC(CC1)SC 269982a_100015202541_100000210211 [0,2,0,1,0,0|1,0,0]=4 53592 B12R1.71 CCCCN1CCC(CC1)SC 34a_100015202541_100000210210 [0,2,0,1,0,0|1,0,0]=4 53593 B12R1.882 CCCCC(C)NCC1(CC1)C 2230a_100000766693_200011215066 [0,2,0,1,0,0|1,0,0]=4 53594 B12R1.882 CCCCC(C)NCC1(CC1)C 270004a_100000766693_100000210087 [0,2,0,1,0,0|1,0,0]=4 53595 B12R1.882 CCCCC(C)NCC1(CC1)O 2230a_100011936951_200011215066 [0,2,0,1,0,0|1,0,0]=4 53596 B12R1.882 CCCCC(C)NCC1(CC1)O 270004a_100011936951_100000210087 [0,2,0,1,0,0|1,0,0]=4 53597 B12R1.882 CCCCC(C)OCC1(CC1)C 7a_100000698024_200011215066 [0,2,0,1,0,0|0,0,0]=3 53598 B12R1.882 CCCCC(C)OCC1(CC1)F 34a_200000703853_200011215066 [0,2,0,1,0,0|0,0,0]=3 53599 B12R1.882 CCCCC(C)OCC1(CC1)F 7a_200000703853_200011215066 [0,2,0,1,0,0|0,0,0]=3 53600 B12R1.882 CCCCC(C)OCC1(CO1)C 34a_100000687866_100000760498 [0,2,0,1,0,0|1,0,0]=4 53601 B12R1.908 CC(OCC(O)CO)C1CCC1 34a_100000766398_100011219619 [0,2,0,1,0,0|1,0,0]=4 53602 B12R1.908 CC(OCC(O)CO)C1CCC1 7a_100000766398_100011219619 [0,2,0,1,0,0|1,0,0]=4 53603 B12R1.908 CC(OC[C@@H](C)CO)C1CCC1 34a_100000766398_100000059175 [0,2,0,1,0,0|1,0,0]=4 53604 B12R1.908 CC(OC[C@@H](C)CO)C1CCC1 7a_100000766398_100000059175 [0,2,0,1,0,0|1,0,0]=4 53605 B12R1.908 CC(OC[C@@H](O)CF)C1CCC1 34a_100000766398_100015614560 [0,2,0,1,0,0|1,0,0]=4 53606 B12R1.908 CC(OC[C@@H](O)CF)C1CCC1 7a_100000766398_100015614560 [0,2,0,1,0,0|1,0,0]=4 53607 B12R1.908 CC(OC[C@@H](O)CO)C1CCC1 34a_100000766398_100009815848 [0,2,0,1,0,0|1,0,0]=4 53608 B12R1.908 CC(OC[C@@H](O)CO)C1CCC1 7a_100000766398_100009815848 [0,2,0,1,0,0|1,0,0]=4 53609 B12R1.908 CCC(=O)COC(C)C1CCC1 7a_100000766398_100000747405 [0,2,0,1,0,0|0,0,1]=4 53610 B12R1.908 CCC(C)CCC(=O)C1CCC1 1458a_100000701222_100000749161 [0,2,0,1,0,0|1,0,0]=4 53611 B12R1.908 CCC(C)CNC(C)C1CCC1 2230a_100016994624_100000748023 [0,2,0,1,0,0|1,0,0]=4 53612 B12R1.908 CCC(C)CNC(C)C1CCC1 269862a_100020588543_100000760154 [0,2,0,1,0,0|1,0,0]=4 53613 B12R1.908 CCC(C)CNC(C)C1CCC1 270004a_100016994624_100000243153 [0,2,0,1,0,0|1,0,0]=4 53614 B12R1.908 CCC(C)CNC(C)C1CCC1 34a_100016994624_100000748023 [0,2,0,1,0,0|1,0,0]=4 53615 B12R1.908 CCC(C)COC(C)C1CCC1 34a_100000766398_100000748023 [0,2,0,1,0,0|0,0,0]=3 53616 B12R1.908 CCC(C)COC(C)C1CCC1 7a_100000766398_100000748023 [0,2,0,1,0,0|0,0,0]=3 53617 B12R1.908 CCC(O)CNC(C)C1CCC1 2230a_100016994624_100011218378 [0,2,0,1,0,0|1,0,0]=4 53618 B12R1.908 CCC(O)CNC(C)C1CCC1 269862a_100011218483_100000760154 [0,2,0,1,0,0|1,0,0]=4 53619 B12R1.908 CCC(O)CNC(C)C1CCC1 34a_100016994624_100011218378 [0,2,0,1,0,0|1,0,0]=4 53620 B12R1.908 CCC(O)COC(C)C1CCC1 34a_100000766398_100011218378 [0,2,0,1,0,0|0,0,0]=3 53621 B12R1.908 CCC(O)COC(C)C1CCC1 7a_100000766398_100011218378 [0,2,0,1,0,0|0,0,0]=3 53622 B12R1.908 CC[C@H](C)CNC(C)C1CCC1 2230a_100016994624_100009816398 [0,2,0,1,0,0|1,0,0]=4 53623 B12R1.908 CC[C@H](C)CNC(C)C1CCC1 34a_100016994624_100009816398 [0,2,0,1,0,0|1,0,0]=4 53624 B12R1.908 CC[C@H](C)COC(C)C1CCC1 34a_100000766398_100009816398 [0,2,0,1,0,0|0,0,0]=3 53625 B12R1.908 CC[C@H](C)COC(C)C1CCC1 7a_100000766398_100009816398 [0,2,0,1,0,0|0,0,0]=3 53626 B12R1.910 CCC(C)CCC(=O)CC1CC1 1458a_100000701222_100000742324 [0,2,0,1,0,0|1,0,0]=4 53627 B12R1.910 CCC(C)CNC(C)CC1CC1 270004a_100020588543_200000686933 [0,2,0,1,0,0|1,0,0]=4 53628 B12R1.910 CCC(O)CNC(C)CC1CC1 270004a_100011218483_200000686933 [0,2,0,1,0,0|1,0,0]=4 53629 B12R1.1677 CC1(CCCC1)OCC(O)CO 34a_100000751722_100011219619 [0,2,0,1,0,0|1,0,0]=4 53630 B12R1.1677 CC1(CCCC1)OCC(O)CO 7a_100000751722_100011219619 [0,2,0,1,0,0|1,0,0]=4 53631 B12R1.1677 CC1(CCCC1)OC[C@@H](O)CF 34a_100000751722_100015614560 [0,2,0,1,0,0|1,0,0]=4 53632 B12R1.1677 CC1(CCCC1)OC[C@@H](O)CF 7a_100000751722_100015614560 [0,2,0,1,0,0|1,0,0]=4 53633 B12R1.1677 CC1(CCCC1)OC[C@@H](O)CO 34a_100000751722_100009815848 [0,2,0,1,0,0|1,0,0]=4 53634 B12R1.1677 CC1(CCCC1)OC[C@@H](O)CO 7a_100000751722_100009815848 [0,2,0,1,0,0|1,0,0]=4 53635 B12R1.1677 CCC(=O)COC1(CCCC1)C 7a_100000751722_100000747405 [0,2,0,1,0,0|0,0,1]=4 53636 B12R1.1677 CCC(C)COC1(CCCC1)C 34a_100000751722_100000748023 [0,2,0,1,0,0|0,0,0]=3 53637 B12R1.1677 CCC(C)COC1(CCCC1)C 7a_100000751722_100000748023 [0,2,0,1,0,0|0,0,0]=3 53638 B12R1.1677 CCC(O)COC1(CCCC1)C 34a_100000751722_100011218378 [0,2,0,1,0,0|0,0,0]=3 53639 B12R1.1677 CCC(O)COC1(CCCC1)C 7a_100000751722_100011218378 [0,2,0,1,0,0|0,0,0]=3 53640 B12R1.1677 CC[C@H](C)COC1(CCCC1)C 34a_100000751722_100009816398 [0,2,0,1,0,0|0,0,0]=3 53641 B12R1.1677 CC[C@H](C)COC1(CCCC1)C 7a_100000751722_100009816398 [0,2,0,1,0,0|0,0,0]=3 53642 B12R1.1677 C[C@@H](CO)COC1(CCCC1)C 34a_100000751722_100000059175 [0,2,0,1,0,0|1,0,0]=4 53643 B12R1.1677 C[C@@H](CO)COC1(CCCC1)C 7a_100000751722_100000059175 [0,2,0,1,0,0|1,0,0]=4 53644 B12R1.2023 CCCCC(C)N1C[C@@H]([C@@H]1C)O 2230a_206633788156_200011215066 [0,2,0,1,0,0|1,0,0]=4 53645 B12R1.2023 CCCCC(C)N1C[C@@H]([C@@H]1C)O 269982a_206633788156_200011215066 [0,2,0,1,0,0|1,0,0]=4 53646 B12R1.2023 CCCCC(C)N1C[C@@H]([C@@H]1C)O 270004a_206633788156_100000210087 [0,2,0,1,0,0|1,0,0]=4 53647 B12R1.2025 CCCCC(C)N1CC(C1)CC 2230a_100015205115_200011215066 [0,2,0,1,0,0|1,0,0]=4 53648 B12R1.2025 CCCCC(C)N1CC(C1)CC 269982a_100015205115_200011215066 [0,2,0,1,0,0|1,0,0]=4 53649 B12R1.2025 CCCCC(C)N1CC(C1)CC 270004a_100015205115_100000210087 [0,2,0,1,0,0|1,0,0]=4 53650 B12R1.2217 CCC(C)CN1C(CCC1C)C 2230a_100000687148_100000748023 [0,2,0,1,0,0|1,0,0]=4 53651 B12R1.2217 CCC(C)CN1C(CCC1C)C 269982a_100000687148_100000748023 [0,2,0,1,0,0|1,0,0]=4 53652 B12R1.2217 CCC(C)CN1C(CCC1C)C 34a_100000687148_100000748023 [0,2,0,1,0,0|1,0,0]=4 53653 B12R1.2217 CCC(O)CN1C(CCC1C)C 2230a_100000687148_100011218378 [0,2,0,1,0,0|1,0,0]=4 53654 B12R1.2217 CCC(O)CN1C(CCC1C)C 269982a_100000687148_100011218378 [0,2,0,1,0,0|1,0,0]=4 53655 B12R1.2217 CCC(O)CN1C(CCC1C)C 34a_100000687148_100011218378 [0,2,0,1,0,0|1,0,0]=4 53656 B12R1.2217 CC[C@H](C)CN1C(CCC1C)C 2230a_100000687148_100009816398 [0,2,0,1,0,0|1,0,0]=4 53657 B12R1.2217 CC[C@H](C)CN1C(CCC1C)C 269982a_100000687148_100009816398 [0,2,0,1,0,0|1,0,0]=4 53658 B12R1.2217 CC[C@H](C)CN1C(CCC1C)C 34a_100000687148_100009816398 [0,2,0,1,0,0|1,0,0]=4 53659 B12R1.49 CCC(C)CN1CCC(CC1)C 2230a_100000188429_100000748023 [0,2,0,1,0,0|1,0,0]=4 53660 B12R1.49 CCC(C)CN1CCC(CC1)C 269982a_100000188429_100000748023 [0,2,0,1,0,0|1,0,0]=4 53661 B12R1.49 CCC(C)CN1CCC(CC1)C 270004a_100000188429_100000243153 [0,2,0,1,0,0|1,0,0]=4 53662 B12R1.49 CCC(C)CN1CCC(CC1)C 34a_100000188429_100000748023 [0,2,0,1,0,0|1,0,0]=4 53663 B12R1.49 CCC(C)CN1CCC(CC1)F 2230a_100015193889_100000748023 [0,2,0,1,0,0|1,0,0]=4 53664 B12R1.49 CCC(C)CN1CCC(CC1)F 269982a_100015193889_100000748023 [0,2,0,1,0,0|1,0,0]=4 53665 B12R1.49 CCC(C)CN1CCC(CC1)F 270004a_100015193889_100000243153 [0,2,0,1,0,0|1,0,0]=4 53666 B12R1.49 CCC(C)CN1CCC(CC1)F 34a_100015193889_100000748023 [0,2,0,1,0,0|1,0,0]=4 53667 B12R1.49 CCC(C)CN1CCC(CC1)O 2230a_100025773856_100000748023 [0,2,0,1,0,0|1,0,0]=4 53668 B12R1.49 CCC(C)CN1CCC(CC1)O 269982a_100025773856_100000748023 [0,2,0,1,0,0|1,0,0]=4 53669 B12R1.49 CCC(C)CN1CCC(CC1)O 270004a_100025773856_100000243153 [0,2,0,1,0,0|1,0,0]=4 53670 B12R1.49 CCC(O)CN1CCC(CC1)C 2230a_100000188429_100011218378 [0,2,0,1,0,0|1,0,0]=4 53671 B12R1.49 CCC(O)CN1CCC(CC1)C 269982a_100000188429_100011218378 [0,2,0,1,0,0|1,0,0]=4 53672 B12R1.49 CCC(O)CN1CCC(CC1)C 34a_100000188429_100011218378 [0,2,0,1,0,0|1,0,0]=4 53673 B12R1.49 CCC(O)CN1CCC(CC1)F 2230a_100015193889_100011218378 [0,2,0,1,0,0|1,0,0]=4 53674 B12R1.49 CCC(O)CN1CCC(CC1)F 269982a_100015193889_100011218378 [0,2,0,1,0,0|1,0,0]=4 53675 B12R1.49 CCC(O)CN1CCC(CC1)F 34a_100015193889_100011218378 [0,2,0,1,0,0|1,0,0]=4 53676 B12R1.49 CCC(O)CN1CCC(CC1)O 2230a_100025773856_100011218378 [0,2,0,1,0,0|1,0,0]=4 53677 B12R1.49 CCC(O)CN1CCC(CC1)O 269982a_100025773856_100011218378 [0,2,0,1,0,0|1,0,0]=4 53678 B12R1.49 CC[C@H](C)CN1CCC(CC1)C 2230a_100000188429_100009816398 [0,2,0,1,0,0|1,0,0]=4 53679 B12R1.49 CC[C@H](C)CN1CCC(CC1)C 269982a_100000188429_100009816398 [0,2,0,1,0,0|1,0,0]=4 53680 B12R1.49 CC[C@H](C)CN1CCC(CC1)C 34a_100000188429_100009816398 [0,2,0,1,0,0|1,0,0]=4 53681 B12R1.49 CC[C@H](C)CN1CCC(CC1)F 2230a_100015193889_100009816398 [0,2,0,1,0,0|1,0,0]=4 53682 B12R1.49 CC[C@H](C)CN1CCC(CC1)F 269982a_100015193889_100009816398 [0,2,0,1,0,0|1,0,0]=4 53683 B12R1.49 CC[C@H](C)CN1CCC(CC1)F 34a_100015193889_100009816398 [0,2,0,1,0,0|1,0,0]=4 53684 B12R1.49 CC[C@H](C)CN1CCC(CC1)O 2230a_100025773856_100009816398 [0,2,0,1,0,0|1,0,0]=4 53685 B12R1.49 CC[C@H](C)CN1CCC(CC1)O 269982a_100025773856_100009816398 [0,2,0,1,0,0|1,0,0]=4 53686 B12R1.118 CCN(CC)CC1CCCCO1 2230a_100000724800_100000211543 [0,2,0,1,0,0|1,0,0]=4 53687 B12R1.118 CCN(CC)CC1CCCCO1 2230a_100015185122_100000210202 [0,2,0,1,0,0|1,0,0]=4 53688 B12R1.118 CCN(CC)CC1CCCCO1 269956a_100000042499_100000211543 [0,2,0,1,0,0|1,0,0]=4 53689 B12R1.118 CCN(CC)CC1CCCCO1 269982a_100000724800_100000211543 [0,2,0,1,0,0|1,0,0]=4 53690 B12R1.118 CCN(CC)CC1CCCCO1 269982a_100015185122_100000204670 [0,2,0,1,0,0|1,0,0]=4 53691 B12R1.118 CCN(CC)CC1CCCCO1 34a_100015185122_100000210202 [0,2,0,1,0,0|1,0,0]=4 53692 B12R1.118 CCN(CF)CC1CCCCO1 269982a_100015185122_100015361967 [0,2,0,1,0,0|1,0,0]=4 53693 B12R1.118 CCN(CF)CC1CCCCO1 34a_100015185122_100015361967 [0,2,0,1,0,0|1,0,0]=4 53694 B12R1.244 CCC(CC)CNCCC1CC1 2230a_100102946423_100000694398 [0,2,0,1,0,0|1,0,0]=4 53695 B12R1.244 CCC(CC)CNCCC1CC1 269862a_100000764129_100000211137 [0,2,0,1,0,0|1,0,0]=4 53696 B12R1.244 CCC(CC)CNCCC1CC1 270004a_100000764129_100000211137 [0,2,0,1,0,0|1,0,0]=4 53697 B12R1.244 CCC(CC)CNCCC1CC1 34a_100000764129_100011215472 [0,2,0,1,0,0|1,0,0]=4 53698 B12R1.244 CCC(CC)COCCC1CC1 34a_100000754188_100011215472 [0,2,0,1,0,0|0,0,0]=3 53699 B12R1.244 CCC(CC)COCCC1CC1 7a_100000703878_100000764125 [0,2,0,1,0,0|0,0,0]=3 53700 B12R1.244 CCC(CC)COCCC1CC1 7a_100000754188_100011215472 [0,2,0,1,0,0|0,0,0]=3 53701 B12R1.244 CCC(CC)COCCC1CO1 7a_100000703878_100000732470 [0,2,0,1,0,0|1,0,0]=4 53702 B12R1.244 CCC(CC)COCC[C@@H]1CO1 34a_100009820653_100011215472 [0,2,0,1,0,0|1,0,0]=4 53703 B12R1.244 CCC(CC)CSCCC1CC1 62a_100000764125_100011215472 [0,2,0,1,0,0|0,1,0]=4 53704 B12R1.244 CCC(CC)CSCCC1CC1 62a_100011215472_100000764125 [0,2,0,1,0,0|0,1,0]=4 53705 B12R1.244 CCC(COCCC1CC1)OC 34a_100011934954_100000694398 [0,2,0,1,0,0|0,0,0]=3 53706 B12R1.244 CCC(COCCC1CC1)OC 7a_100011934954_100000764125 [0,2,0,1,0,0|0,0,0]=3 53707 B12R1.244 CCC(COCCC1CO1)OC 34a_100011934954_100000732470 [0,2,0,1,0,0|1,0,0]=4 53708 B12R1.244 CCC(COCCC1CO1)OC 7a_100011934954_100000732470 [0,2,0,1,0,0|1,0,0]=4 53709 B12R1.244 CCN(CC)CCOCC1CC1 7a_100016990331_100000742324 [0,2,0,1,0,0|1,0,0]=4 53710 B12R1.244 CCN(CC)COCCC1CC1 7a_200015374951_100000764125 [0,2,0,1,0,0|1,0,0]=4 53711 B12R1.244 COC(CCOCC1CC1)OC 34a_100000211283_100000139399 [0,2,0,1,0,0|1,0,0]=4 53712 B12R1.244 COC(COCCC1CC1)OC 34a_100000754188_100000211822 [0,2,0,1,0,0|1,0,0]=4 53713 B12R1.244 COC(COCCC1CC1)OC 34a_100011216393_100000694398 [0,2,0,1,0,0|1,0,0]=4 53714 B12R1.244 COC(COCCC1CC1)OC 7a_100000754188_100000751394 [0,2,0,1,0,0|1,0,0]=4 53715 B12R1.249 CCC(CC)CNCC1CCC1 2230a_100000738700_100011215472 [0,2,0,1,0,0|1,0,0]=4 53716 B12R1.249 CCC(CC)CNCC1CCC1 2230a_100102946423_100000763275 [0,2,0,1,0,0|1,0,0]=4 53717 B12R1.249 CCC(CC)CNCC1CCC1 269862a_100000738700_100000211137 [0,2,0,1,0,0|1,0,0]=4 53718 B12R1.249 CCC(CC)CNCC1CCC1 269862a_100102946423_100000753134 [0,2,0,1,0,0|1,0,0]=4 53719 B12R1.249 CCC(CC)CNCC1CCC1 270004a_100000738700_100000211137 [0,2,0,1,0,0|1,0,0]=4 53720 B12R1.249 CCC(CC)CNCC1CCC1 34a_100000738700_100011215472 [0,2,0,1,0,0|1,0,0]=4 53721 B12R1.249 CCC(CC)COCC1CCC1 34a_100000760304_100011215472 [0,2,0,1,0,0|0,0,0]=3 53722 B12R1.249 CCC(CC)COCC1CCC1 7a_100000703878_100000763275 [0,2,0,1,0,0|0,0,0]=3 53723 B12R1.249 CCC(CC)COCC1CCO1 34a_100000039022_100011215472 [0,2,0,1,0,0|1,0,0]=4 53724 B12R1.249 CCC(CC)COCC1CCO1 7a_100000703878_100000103362 [0,2,0,1,0,0|1,0,0]=4 53725 B12R1.249 CCC(CC)COCC1CNC1 34a_100016987283_100011215472 [0,2,0,1,0,0|1,0,0]=4 53726 B12R1.249 CCC(CC)COCC1COC1 34a_100000060846_100011215472 [0,2,0,1,0,0|1,0,0]=4 53727 B12R1.249 CCC(CC)COCC1COC1 7a_100000703878_100010264016 [0,2,0,1,0,0|1,0,0]=4 53728 B12R1.249 CCC(CC)CSCC1CCC1 62a_100000763275_100011215472 [0,2,0,1,0,0|0,1,0]=4 53729 B12R1.249 CCC(CC)CSCC1CCC1 62a_100011215472_100000763275 [0,2,0,1,0,0|0,1,0]=4 53730 B12R1.249 CCC(CNCC1CCC1)OC 269862a_100000731041_100000753134 [0,2,0,1,0,0|1,0,0]=4 53731 B12R1.249 CCC(COCC1CCC1)OC 34a_100011934954_100000763275 [0,2,0,1,0,0|0,0,0]=3 53732 B12R1.249 CCC(COCC1CCC1)OC 7a_100011934954_100000763275 [0,2,0,1,0,0|0,0,0]=3 53733 B12R1.249 CCC(COCC1CCO1)OC 34a_100011934954_100000103362 [0,2,0,1,0,0|1,0,0]=4 53734 B12R1.249 CCC(COCC1CCO1)OC 7a_100011934954_100000103362 [0,2,0,1,0,0|1,0,0]=4 53735 B12R1.249 CCC(COCC1COC1)OC 34a_100011934954_100010264016 [0,2,0,1,0,0|1,0,0]=4 53736 B12R1.249 CCC(COCC1COC1)OC 7a_100011934954_100010264016 [0,2,0,1,0,0|1,0,0]=4 53737 B12R1.249 CCN(CC)COCC1CCC1 7a_200015374951_100000763275 [0,2,0,1,0,0|1,0,0]=4 53738 B12R1.249 COC(CCOC1CCC1)OC 34a_100000748187_100000139399 [0,2,0,1,0,0|1,0,0]=4 53739 B12R1.249 COC(COCC1CCC1)OC 34a_100000760304_100000211822 [0,2,0,1,0,0|1,0,0]=4 53740 B12R1.249 COC(COCC1CCC1)OC 34a_100011216393_100000763275 [0,2,0,1,0,0|1,0,0]=4 53741 B12R1.251 CCC(CC)CN1CCC[C@@H]1C 2230a_100020605311_100011215472 [0,2,0,1,0,0|1,0,0]=4 53742 B12R1.251 CCC(CC)CN1CCC[C@@H]1C 269982a_100020605311_100011215472 [0,2,0,1,0,0|1,0,0]=4 53743 B12R1.251 CCC(CC)CN1CCC[C@@H]1C 270004a_100020605311_100000211137 [0,2,0,1,0,0|1,0,0]=4 53744 B12R1.251 CCC(CC)CN1CCC[C@H]1C 2230a_100015189458_100011215472 [0,2,0,1,0,0|1,0,0]=4 53745 B12R1.251 CCC(CC)CN1CCC[C@H]1C 269982a_100015189458_100011215472 [0,2,0,1,0,0|1,0,0]=4 53746 B12R1.251 CCC(CC)CN1CCC[C@H]1C 270004a_100015189458_100000211137 [0,2,0,1,0,0|1,0,0]=4 53747 B12R1.251 CCC(CC)CN1CCC[C@H]1C 34a_100015189458_100011215472 [0,2,0,1,0,0|1,0,0]=4 53748 B12R1.297 CCC(CC)CNC1CCCC1 2230a_100000211070_100011215472 [0,2,0,1,0,0|1,0,0]=4 53749 B12R1.297 CCC(CC)CNC1CCCC1 2230a_100102946423_100000179811 [0,2,0,1,0,0|1,0,0]=4 53750 B12R1.297 CCC(CC)CNC1CCCC1 269862a_100000211070_100000211137 [0,2,0,1,0,0|1,0,0]=4 53751 B12R1.297 CCC(CC)CNC1CCCC1 270004a_100000211070_100000211137 [0,2,0,1,0,0|1,0,0]=4 53752 B12R1.297 CCC(CC)CNC1CCCC1 270004a_100102946423_100000210133 [0,2,0,1,0,0|1,0,0]=4 53753 B12R1.297 CCC(CC)CNC1CCCC1 34a_100000211070_100011215472 [0,2,0,1,0,0|1,0,0]=4 53754 B12R1.297 CCC(CC)COC1CCCC1 34a_100000210269_100011215472 [0,2,0,1,0,0|0,0,0]=3 53755 B12R1.297 CCC(CC)COC1CCCC1 7a_100000210269_100011215472 [0,2,0,1,0,0|0,0,0]=3 53756 B12R1.297 CCC(CC)COC1CCCC1 7a_100000703878_100000179811 [0,2,0,1,0,0|0,0,0]=3 53757 B12R1.297 CCC(CC)COC1CCCO1 34a_100000085407_100011215472 [0,2,0,1,0,0|1,0,0]=4 53758 B12R1.297 CCC(CC)COC1CCOC1 7a_100000703878_100000731011 [0,2,0,1,0,0|1,0,0]=4 53759 B12R1.297 CCC(CC)COC1CCSC1 7a_100011232664_100011215472 [0,2,0,1,0,0|1,0,0]=4 53760 B12R1.297 CCC(CC)CO[C@H]1CCOC1 34a_100000717292_100011215472 [0,2,0,1,0,0|1,0,0]=4 53761 B12R1.297 CCC(CC)CSC1CCCC1 62a_100011215472_100000179811 [0,2,0,1,0,0|0,1,0]=4 53762 B12R1.297 CCC(CC)CSC1CCCC1 62a_100011217020_100011215472 [0,2,0,1,0,0|0,1,0]=4 53763 B12R1.297 CCC(CNC1CCCC1)OC 270004a_100000731041_100000210133 [0,2,0,1,0,0|1,0,0]=4 53764 B12R1.297 CCC(COC1CCCC1)OC 34a_100011934954_100000179811 [0,2,0,1,0,0|0,0,0]=3 53765 B12R1.297 CCC(COC1CCCC1)OC 7a_100011934954_100000179811 [0,2,0,1,0,0|0,0,0]=3 53766 B12R1.297 CCC(COC1CCOC1)OC 34a_100011934954_100000690089 [0,2,0,1,0,0|1,0,0]=4 53767 B12R1.297 CCC(COC1CCOC1)OC 7a_100011934954_100000731011 [0,2,0,1,0,0|1,0,0]=4 53768 B12R1.297 CCN(CC)COC1CCCC1 7a_200015374951_100000179811 [0,2,0,1,0,0|1,0,0]=4 53769 B12R1.297 COC(COC1CCCC1)OC 34a_100000210269_100000211822 [0,2,0,1,0,0|1,0,0]=4 53770 B12R1.297 COC(COC1CCCC1)OC 34a_100011216393_100000179811 [0,2,0,1,0,0|1,0,0]=4 53771 B12R1.297 COC(COC1CCCC1)OC 7a_100000210269_100000751394 [0,2,0,1,0,0|1,0,0]=4 53772 B12R1.1533 CCC(CC)COCC1CC1C 34a_100000744939_100011215472 [0,2,0,1,0,0|0,0,0]=3 53773 B12R1.1533 CCC(CC)COCC1CC1C 7a_100000744939_100011215472 [0,2,0,1,0,0|0,0,0]=3 53774 B12R1.1533 COC(COCC1CC1C)OC 34a_100000744939_100000211822 [0,2,0,1,0,0|1,0,0]=4 53775 B12R1.1533 COC(COCC1CC1C)OC 7a_100000744939_100000751394 [0,2,0,1,0,0|1,0,0]=4 53776 B12R1.15 CCC(C)CC(=O)C1CCCC1 1458a_100000210718_100000748023 [0,2,0,1,0,0|1,0,0]=4 53777 B12R1.15 CCC(C)CC(=O)C1CCCC1 1458a_100000708755_100000179811 [0,2,0,1,0,0|1,0,0]=4 53778 B12R1.15 CCC(C)CC(C)N1CCCC1 270004a_100000188435_100011710205 [0,2,0,1,0,0|1,0,0]=4 53779 B12R1.15 CCC(C)CN(C)C1CCCC1 2230a_100000207505_100000748023 [0,2,0,1,0,0|1,0,0]=4 53780 B12R1.15 CCC(C)CN(C)C1CCCC1 2230a_100000753921_100000179811 [0,2,0,1,0,0|1,0,0]=4 53781 B12R1.15 CCC(C)CN(C)C1CCCC1 269982a_100000207505_100000748023 [0,2,0,1,0,0|1,0,0]=4 53782 B12R1.15 CCC(C)CN(C)C1CCCC1 269982a_100000753921_100000179811 [0,2,0,1,0,0|1,0,0]=4 53783 B12R1.15 CCC(C)CN(C)C1CCCC1 270004a_100000207505_100000243153 [0,2,0,1,0,0|1,0,0]=4 53784 B12R1.15 CCC(C)CN(C)C1CCCC1 270004a_100000753921_100000210133 [0,2,0,1,0,0|1,0,0]=4 53785 B12R1.15 CCC(C)CN(C)C1CCCC1 34a_100000207505_100000748023 [0,2,0,1,0,0|1,0,0]=4 53786 B12R1.15 CCC(O)CC(=O)C1CCCC1 1458a_100000210718_100011218378 [0,2,0,1,0,0|1,0,0]=4 53787 B12R1.15 CCC(O)CC(=O)C1CCCC1 1458a_100011667805_100000179811 [0,2,0,1,0,0|1,0,0]=4 53788 B12R1.15 CCC(O)CN(C)C1CCCC1 2230a_100000207505_100011218378 [0,2,0,1,0,0|1,0,0]=4 53789 B12R1.15 CCC(O)CN(C)C1CCCC1 269982a_100000207505_100011218378 [0,2,0,1,0,0|1,0,0]=4 53790 B12R1.15 CCC(O)CN(C)C1CCCC1 34a_100000207505_100011218378 [0,2,0,1,0,0|1,0,0]=4 53791 B12R1.15 CC[C@H](C)CC(=O)C1CCCC1 1458a_100000210718_100009816398 [0,2,0,1,0,0|1,0,0]=4 53792 B12R1.15 CC[C@H](C)CN(C)C1CCCC1 2230a_100000207505_100009816398 [0,2,0,1,0,0|1,0,0]=4 53793 B12R1.15 CC[C@H](C)CN(C)C1CCCC1 269982a_100000207505_100009816398 [0,2,0,1,0,0|1,0,0]=4 53794 B12R1.15 CC[C@H](C)CN(C)C1CCCC1 34a_100000207505_100009816398 [0,2,0,1,0,0|1,0,0]=4 53795 B12R1.304 CCC(C)CC(=O)CC1CCC1 1458a_100000708755_100000763275 [0,2,0,1,0,0|1,0,0]=4 53796 B12R1.304 CCC(C)CC(=O)CC1CCC1 1458a_100000763092_100000748023 [0,2,0,1,0,0|1,0,0]=4 53797 B12R1.304 CCC(C)CC(C)NC1CCC1 270004a_100000763565_100000241760 [0,2,0,1,0,0|1,0,0]=4 53798 B12R1.304 CCC(C)CN(C)CC1CCC1 2230a_100000753921_100000763275 [0,2,0,1,0,0|1,0,0]=4 53799 B12R1.304 CCC(C)CN(C)CC1CCC1 2230a_200000750244_100000748023 [0,2,0,1,0,0|1,0,0]=4 53800 B12R1.304 CCC(C)CN(C)CC1CCC1 269982a_100000753921_100000763275 [0,2,0,1,0,0|1,0,0]=4 53801 B12R1.304 CCC(C)CN(C)CC1CCC1 269982a_200000750244_100000748023 [0,2,0,1,0,0|1,0,0]=4 53802 B12R1.304 CCC(C)CN(C)CC1CCC1 270004a_200000750244_100000243153 [0,2,0,1,0,0|1,0,0]=4 53803 B12R1.304 CCC(C)CN(C)CC1CCC1 34a_200000750244_100000748023 [0,2,0,1,0,0|1,0,0]=4 53804 B12R1.304 CCC(O)CC(=O)CC1CCC1 1458a_100000763092_100011218378 [0,2,0,1,0,0|1,0,0]=4 53805 B12R1.304 CCC(O)CC(=O)CC1CCC1 1458a_100011667805_100000763275 [0,2,0,1,0,0|1,0,0]=4 53806 B12R1.304 CCC(O)CN(C)CC1CCC1 2230a_200000750244_100011218378 [0,2,0,1,0,0|1,0,0]=4 53807 B12R1.304 CCC(O)CN(C)CC1CCC1 269982a_200000750244_100011218378 [0,2,0,1,0,0|1,0,0]=4 53808 B12R1.304 CCC(O)CN(C)CC1CCC1 34a_200000750244_100011218378 [0,2,0,1,0,0|1,0,0]=4 53809 B12R1.304 CC[C@H](C)CC(=O)CC1CCC1 1458a_100000763092_100009816398 [0,2,0,1,0,0|1,0,0]=4 53810 B12R1.304 CC[C@H](C)CN(C)CC1CCC1 2230a_200000750244_100009816398 [0,2,0,1,0,0|1,0,0]=4 53811 B12R1.304 CC[C@H](C)CN(C)CC1CCC1 269982a_200000750244_100009816398 [0,2,0,1,0,0|1,0,0]=4 53812 B12R1.304 CC[C@H](C)CN(C)CC1CCC1 34a_200000750244_100009816398 [0,2,0,1,0,0|1,0,0]=4 53813 B12R1.305 CCC(C)CC(=O)CCC1CC1 1458a_100000708755_100000694398 [0,2,0,1,0,0|1,0,0]=4 53814 B12R1.305 CCC(C)CC(=O)CCC1CC1 1458a_100000756386_100000748023 [0,2,0,1,0,0|1,0,0]=4 53815 B12R1.305 CCC(C)CC(C)NCC1CC1 2230a_100000763565_100000742324 [0,2,0,1,0,0|1,0,0]=4 53816 B12R1.305 CCC(C)CC(C)NCC1CC1 269862a_100000763565_100000741477 [0,2,0,1,0,0|1,0,0]=4 53817 B12R1.305 CCC(C)CC(C)NCC1CC1 270004a_100000735609_100011710205 [0,2,0,1,0,0|1,0,0]=4 53818 B12R1.305 CCC(C)CN(C)CCC1CC1 2230a_100000753921_100000694398 [0,2,0,1,0,0|1,0,0]=4 53819 B12R1.305 CCC(C)CN(C)CCC1CC1 269982a_100000753921_100000694398 [0,2,0,1,0,0|1,0,0]=4 53820 B12R1.305 CCC(O)CC(=O)CCC1CC1 1458a_100000756386_100011218378 [0,2,0,1,0,0|1,0,0]=4 53821 B12R1.305 CCC(O)CC(=O)CCC1CC1 1458a_100011667805_100000694398 [0,2,0,1,0,0|1,0,0]=4 53822 B12R1.305 CC[C@H](C)CC(=O)CCC1CC1 1458a_100000756386_100009816398 [0,2,0,1,0,0|1,0,0]=4 53823 B12R1.900 CCCCCC(=O)CC1(CC1)C 1458a_100000112800_100000210326 [0,2,0,1,0,0|1,0,0]=4 53824 B12R1.1940 CCC(C)CC(=O)C1CC1CC 1458a_200011661523_100000748023 [0,2,0,1,0,0|1,0,0]=4 53825 B12R1.1940 CCC(O)CC(=O)C1CC1CC 1458a_200011661523_100011218378 [0,2,0,1,0,0|1,0,0]=4 53826 B12R1.1940 CCC1CC1C(=O)C[C@@H](C)CC 1458a_200011661523_100009816398 [0,2,0,1,0,0|1,0,0]=4 53827 B12R1.912 CCCCC(C)C(=O)C1CCC1 1458a_100000209988_200011215066 [0,2,0,1,0,0|1,0,0]=4 53828 B12R1.912 CCCCC(C)C(=O)C1CCC1 1458a_100000725509_100000749161 [0,2,0,1,0,0|1,0,0]=4 53829 B12R1.912 CCCCC(C)N(C)C1CCC1 2230a_100000758072_200011215066 [0,2,0,1,0,0|1,0,0]=4 53830 B12R1.912 CCCCC(C)N(C)C1CCC1 269982a_100000758072_200011215066 [0,2,0,1,0,0|1,0,0]=4 53831 B12R1.912 CCCCC(C)N(C)C1CCC1 270004a_100000758072_100000210087 [0,2,0,1,0,0|1,0,0]=4 53832 B12R1.912 CCCCC(C)N(C)C1CCC1 34a_100000758072_200011215066 [0,2,0,1,0,0|1,0,0]=4 53833 B12R1.912 CCCCC(O)C(=O)C1CCC1 1458a_100000720857_100000749161 [0,2,0,1,0,0|1,0,0]=4 53834 B12R1.914 CCCCC(C)C(=O)CC1CC1 1458a_100000725509_100000742324 [0,2,0,1,0,0|1,0,0]=4 53835 B12R1.914 CCCCC(C)C(=O)CC1CC1 1458a_100000738066_200011215066 [0,2,0,1,0,0|1,0,0]=4 53836 B12R1.914 CCCCC(C)N(C)CC1CC1 2230a_100000741881_200011215066 [0,2,0,1,0,0|1,0,0]=4 53837 B12R1.914 CCCCC(C)N(C)CC1CC1 269982a_100000741881_200011215066 [0,2,0,1,0,0|1,0,0]=4 53838 B12R1.914 CCCCC(C)N(C)CC1CC1 270004a_100000741881_100000210087 [0,2,0,1,0,0|1,0,0]=4 53839 B12R1.914 CCCCC(O)C(=O)CC1CC1 1458a_100000720857_100000742324 [0,2,0,1,0,0|1,0,0]=4 53840 B12R1.914 CCCCN(C)C(C)CC1CC1 270004a_100000207549_200000686933 [0,2,0,1,0,0|1,0,0]=4 53841 B12R1.2022 CCCCC(=O)C1(CCCC1)C 1458a_100000239728_100000210211 [0,2,0,1,0,0|1,0,0]=4 53842 B12R1.2022 CCCCC(=O)C1(CCCC1)O 1458a_100000242637_100000210211 [0,2,0,1,0,0|1,0,0]=4 53843 B12R1.2804 CCCCC(C)C(=O)C1CC1C 1458a_100000211227_200011215066 [0,2,0,1,0,0|1,0,0]=4 53844 B12R1.36 CCCCC(CC)N1CCCC1 269982a_100000188435_200011216223 [0,2,0,1,0,0|1,0,0]=4 53845 B12R1.36 CCCCC(CC)N1CCCC1 270004a_100000188435_100000753412 [0,2,0,1,0,0|1,0,0]=4 53846 B12R1.36 CCCCN(CC)C1CCCC1 2230a_100000207695_100000179811 [0,2,0,1,0,0|1,0,0]=4 53847 B12R1.36 CCCCN(CC)C1CCCC1 2230a_100015187791_100000210202 [0,2,0,1,0,0|1,0,0]=4 53848 B12R1.36 CCCCN(CC)C1CCCC1 269982a_100000207695_100000179811 [0,2,0,1,0,0|1,0,0]=4 53849 B12R1.36 CCCCN(CC)C1CCCC1 269982a_100015187791_100000204670 [0,2,0,1,0,0|1,0,0]=4 53850 B12R1.36 CCCCN(CC)C1CCCC1 270004a_100000207695_100000210133 [0,2,0,1,0,0|1,0,0]=4 53851 B12R1.36 CCCCN(CC)C1CCCC1 34a_100015187791_100000210202 [0,2,0,1,0,0|1,0,0]=4 53852 B12R1.36 CCCCN(CF)C1CCCC1 269982a_100015187791_100015361967 [0,2,0,1,0,0|1,0,0]=4 53853 B12R1.36 CCCCN(CF)C1CCCC1 34a_100015187791_100015361967 [0,2,0,1,0,0|1,0,0]=4 53854 B12R1.501 C#CC(CCCC)OC1CCC1 34a_200011217967_100000749161 [0,2,0,1,0,0|0,0,0]=3 53855 B12R1.501 C#CC(CCCC)OC1COC1 34a_200011217967_100009818527 [0,2,0,1,0,0|1,0,0]=4 53856 B12R1.501 C#CC(CCCC)OC1COC1 7a_200011217967_100009818527 [0,2,0,1,0,0|1,0,0]=4 53857 B12R1.501 C=CC(CCCC)OC1CCC1 34a_200011215037_100000749161 [0,2,0,1,0,0|0,0,0]=3 53858 B12R1.501 C=CC(CCCC)OC1COC1 34a_200011215037_100009818527 [0,2,0,1,0,0|1,0,0]=4 53859 B12R1.501 C=CC(CCCC)OC1COC1 7a_200011215037_100009818527 [0,2,0,1,0,0|1,0,0]=4 53860 B12R1.501 CCCCC(CC)NC1CCC1 34a_100000749019_200011216223 [0,2,0,1,0,0|1,0,0]=4 53861 B12R1.501 CCCCC(CC)OC1CCC1 34a_100000748187_200011216223 [0,2,0,1,0,0|0,0,0]=3 53862 B12R1.501 CCCCC(CC)OC1CCC1 34a_100011215227_100000749161 [0,2,0,1,0,0|0,0,0]=3 53863 B12R1.501 CCCCC(CC)OC1COC1 34a_100011215227_100009818527 [0,2,0,1,0,0|1,0,0]=4 53864 B12R1.501 CCCCC(CC)OC1COC1 7a_100011215227_100009818527 [0,2,0,1,0,0|1,0,0]=4 53865 B12R1.501 CCCCC(CC)OC1CSC1 7a_100000072292_200011216223 [0,2,0,1,0,0|1,0,0]=4 53866 B12R1.501 CCCCC(CC)SC1CCC1 62a_200011216223_100000749161 [0,2,0,1,0,0|0,1,0]=4 53867 B12R1.501 CCCCN(CC)CC1CCC1 2230a_100000207695_100000763275 [0,2,0,1,0,0|1,0,0]=4 53868 B12R1.501 CCCCN(CC)CC1CCC1 269982a_100000207695_100000763275 [0,2,0,1,0,0|1,0,0]=4 53869 B12R1.501 CCCC[C@@H](CO)NC1CCC1 270004a_100011934283_100000241760 [0,2,0,1,0,0|1,0,0]=4 53870 B12R1.501 CCCC[C@@H](CO)NC1CCC1 34a_100011934283_100000749161 [0,2,0,1,0,0|1,0,0]=4 53871 B12R1.501 CCOCC(CN)OC1CCC1 34a_102515437182_100000749161 [0,2,0,1,0,0|1,0,0]=4 53872 B12R1.502 C#CC(CCCC)OCC1CC1 34a_200011217967_100000742324 [0,2,0,1,0,0|0,0,0]=3 53873 B12R1.502 C#CC(CCCC)OCC1CC1 7a_200011217967_100000742324 [0,2,0,1,0,0|0,0,0]=3 53874 B12R1.502 C#CC(CCCC)OCC1CO1 34a_200011217967_102125554688 [0,2,0,1,0,0|1,0,0]=4 53875 B12R1.502 C#CC(CCCC)OCC1CO1 7a_200011217967_102125554688 [0,2,0,1,0,0|1,0,0]=4 53876 B12R1.502 C#CC(CCCC)OCC1CS1 7a_200011217967_100000031435 [0,2,0,1,0,0|1,0,0]=4 53877 B12R1.502 C#CC(CCCC)OC[C@@H]1CO1 7a_200011217967_100000745022 [0,2,0,1,0,0|1,0,0]=4 53878 B12R1.502 C=CC(CCCC)OCC1CC1 34a_200011215037_100000742324 [0,2,0,1,0,0|0,0,0]=3 53879 B12R1.502 C=CC(CCCC)OCC1CC1 7a_200011215037_100000742324 [0,2,0,1,0,0|0,0,0]=3 53880 B12R1.502 C=CC(CCCC)OCC1CO1 34a_200011215037_102125554688 [0,2,0,1,0,0|1,0,0]=4 53881 B12R1.502 C=CC(CCCC)OCC1CO1 7a_200011215037_102125554688 [0,2,0,1,0,0|1,0,0]=4 53882 B12R1.502 C=CC(CCCC)OCC1CS1 7a_200011215037_100000031435 [0,2,0,1,0,0|1,0,0]=4 53883 B12R1.502 C=CC(CCCC)OC[C@@H]1CO1 7a_200011215037_100000745022 [0,2,0,1,0,0|1,0,0]=4 53884 B12R1.502 CCCCC(CC)NCC1CC1 270004a_100000735609_100000753412 [0,2,0,1,0,0|1,0,0]=4 53885 B12R1.502 CCCCC(CC)NCC1CC1 34a_100000735609_200011216223 [0,2,0,1,0,0|1,0,0]=4 53886 B12R1.502 CCCCC(CC)OCC1CC1 34a_100000211283_200011216223 [0,2,0,1,0,0|0,0,0]=3 53887 B12R1.502 CCCCC(CC)OCC1CC1 34a_100011215227_100000742324 [0,2,0,1,0,0|0,0,0]=3 53888 B12R1.502 CCCCC(CC)OCC1CC1 7a_100011215227_100000742324 [0,2,0,1,0,0|0,0,0]=3 53889 B12R1.502 CCCCC(CC)OCC1CO1 34a_100011215227_102125554688 [0,2,0,1,0,0|1,0,0]=4 53890 B12R1.502 CCCCC(CC)OCC1CO1 7a_100011215227_102125554688 [0,2,0,1,0,0|1,0,0]=4 53891 B12R1.502 CCCCC(CC)OCC1CS1 7a_100011215227_100000031435 [0,2,0,1,0,0|1,0,0]=4 53892 B12R1.502 CCCCC(CC)OC[C@@H]1CO1 34a_100000757423_200011216223 [0,2,0,1,0,0|1,0,0]=4 53893 B12R1.502 CCCCC(CC)OC[C@@H]1CO1 7a_100011215227_100000745022 [0,2,0,1,0,0|1,0,0]=4 53894 B12R1.502 CCCCC(CC)SCC1CC1 62a_100000756562_200011216223 [0,2,0,1,0,0|0,1,0]=4 53895 B12R1.502 CCCCC(CC)SCC1CC1 62a_200011216223_100000742324 [0,2,0,1,0,0|0,1,0]=4 53896 B12R1.502 CCCCN(CC)CCC1CC1 2230a_100000207695_100000694398 [0,2,0,1,0,0|1,0,0]=4 53897 B12R1.502 CCCCN(CC)CCC1CC1 269982a_100000207695_100000694398 [0,2,0,1,0,0|1,0,0]=4 53898 B12R1.502 CCCC[C@@H](CO)NCC1CC1 2230a_100011934283_100000742324 [0,2,0,1,0,0|1,0,0]=4 53899 B12R1.502 CCCC[C@@H](CO)NCC1CC1 269862a_100011934283_100000741477 [0,2,0,1,0,0|1,0,0]=4 53900 B12R1.502 CCCC[C@@H](CO)NCC1CC1 34a_100011934283_100000742324 [0,2,0,1,0,0|1,0,0]=4 53901 B12R1.502 CCOCC(CN)OCC1CC1 34a_102515437182_100000742324 [0,2,0,1,0,0|1,0,0]=4 53902 B12R1.503 CCCCC(CC)N1CCC1C 269982a_100000755817_200011216223 [0,2,0,1,0,0|1,0,0]=4 53903 B12R1.503 CCCCC(CC)N1CCC1C 34a_100000755817_200011216223 [0,2,0,1,0,0|1,0,0]=4 53904 B12R1.2139 CCCCCN(CC)C1CCC1 2230a_100000758130_100000210326 [0,2,0,1,0,0|1,0,0]=4 53905 B12R1.2139 CCCCCN(CC)C1CCC1 269982a_100000758130_100000210215 [0,2,0,1,0,0|1,0,0]=4 53906 B12R1.2279 CCCCC1(CCCCC1)OC 34a_200011218111_200000210301 [0,2,0,1,0,0|1,0,0]=4 53907 B12R1.2279 CCCCC1(CCCCC1)OC 7a_200011218111_200000210301 [0,2,0,1,0,0|1,0,0]=4 53908 B12R1.2279 CCCCC1(CCCCC1)O[13CH3] 34a_200011218111_200025704644 [0,2,0,1,0,0|1,0,0]=4 53909 B12R1.2279 CCCCC1(CCCCC1)O[13CH3] 7a_200011218111_200025704644 [0,2,0,1,0,0|1,0,0]=4 53910 B12R1.3206 C#CC1(CCCC1)OCCCC 34a_100000189447_100000210210 [0,2,0,1,0,0|0,0,0]=3 53911 B12R1.3206 C#CC1(CCCC1)OCCCC 7a_100000189447_100000210211 [0,2,0,1,0,0|0,0,0]=3 53912 B12R1.3206 C#CC1(CCCC1)OCCCF 34a_100000189447_100011934791 [0,2,0,1,0,0|1,0,0]=4 53913 B12R1.3206 C#CC1(CCCC1)OCCCF 7a_100000189447_100011934791 [0,2,0,1,0,0|1,0,0]=4 53914 B12R1.3206 C#CC1(CCCC1)OCCCO 34a_100000189447_100000230001 [0,2,0,1,0,0|1,0,0]=4 53915 B12R1.3206 C#CC1(CCCC1)OCCCO 7a_100000189447_100011215043 [0,2,0,1,0,0|1,0,0]=4 53916 B12R1.3206 C#CC1(CCCC1)OCCOC 34a_100000189447_100011201679 [0,2,0,1,0,0|1,0,0]=4 53917 B12R1.3206 C#CC1(CCCC1)OCCOC 7a_100000189447_100000233755 [0,2,0,1,0,0|1,0,0]=4 53918 B12R1.3206 C#CC1(CCCC1)OCCSC 34a_100000189447_100000212216 [0,2,0,1,0,0|1,0,0]=4 53919 B12R1.3206 C#CC1(CCCC1)OCCSC 7a_100000189447_100000212216 [0,2,0,1,0,0|1,0,0]=4 53920 B12R1.3206 CCC1(CCCC1)OCCCF 7a_100000752416_100011934791 [0,2,0,1,0,0|1,0,0]=4 53921 B12R1.3206 CCC1(CCCC1)OCCCO 7a_100000752416_100011215043 [0,2,0,1,0,0|1,0,0]=4 53922 B12R1.3206 CCC1(CCCC1)OCCOC 7a_100000752416_100000233755 [0,2,0,1,0,0|1,0,0]=4 53923 B12R1.3206 CCC1(CCCC1)OCCSC 7a_100000752416_100000212216 [0,2,0,1,0,0|1,0,0]=4 53924 B12R1.3206 CCCCCC1(CCCC1)OC 34a_200011216134_200000210301 [0,2,0,1,0,0|1,0,0]=4 53925 B12R1.3206 CCCCCC1(CCCC1)OC 7a_200011216134_200000210301 [0,2,0,1,0,0|1,0,0]=4 53926 B12R1.3206 CCCCCC1(CCCC1)O[13CH3] 34a_200011216134_200025704644 [0,2,0,1,0,0|1,0,0]=4 53927 B12R1.3206 CCCCCC1(CCCC1)O[13CH3] 7a_200011216134_200025704644 [0,2,0,1,0,0|1,0,0]=4 53928 B12R1.3206 CCCCNC1(CCCC1)C#N 34a_100000738132_100000210210 [0,2,0,1,0,0|1,0,0]=4 53929 B12R1.3206 CCCCNC1(CCCC1)CC 2230a_100015183760_100000210211 [0,2,0,1,0,0|1,0,0]=4 53930 B12R1.3206 CCCCNC1(CCCC1)CO 2230a_100000749328_100000210211 [0,2,0,1,0,0|1,0,0]=4 53931 B12R1.3206 CCCCNC1(CCCC1)CO 34a_100000749328_100000210210 [0,2,0,1,0,0|1,0,0]=4 53932 B12R1.3206 CCCCOC1(CCCC1)C#N 34a_100000744759_100000210210 [0,2,0,1,0,0|0,0,0]=3 53933 B12R1.3206 CCCCOC1(CCCC1)C#N 7a_100000744759_100000210211 [0,2,0,1,0,0|0,0,0]=3 53934 B12R1.3206 CCCCOC1(CCCC1)CC 7a_100000752416_100000210211 [0,2,0,1,0,0|0,0,0]=3 53935 B12R1.3206 CCCCOC1(CCCC1)CN 34a_100000737848_100000210210 [0,2,0,1,0,0|0,0,0]=3 53936 B12R1.3206 COCCOC1(CCCC1)C#N 34a_100000744759_100011201679 [0,2,0,1,0,0|1,0,0]=4 53937 B12R1.3206 COCCOC1(CCCC1)C#N 7a_100000744759_100000233755 [0,2,0,1,0,0|1,0,0]=4 53938 B12R1.3206 COCCOC1(CCCC1)CN 34a_100000737848_100011201679 [0,2,0,1,0,0|1,0,0]=4 53939 B12R1.3206 CSCCOC1(CCCC1)C#N 34a_100000744759_100000212216 [0,2,0,1,0,0|1,0,0]=4 53940 B12R1.3206 CSCCOC1(CCCC1)C#N 7a_100000744759_100000212216 [0,2,0,1,0,0|1,0,0]=4 53941 B12R1.3206 CSCCOC1(CCCC1)CN 34a_100000737848_100000212216 [0,2,0,1,0,0|1,0,0]=4 53942 B12R1.3206 N#CC1(CCCC1)OCCCF 34a_100000744759_100011934791 [0,2,0,1,0,0|1,0,0]=4 53943 B12R1.3206 N#CC1(CCCC1)OCCCF 7a_100000744759_100011934791 [0,2,0,1,0,0|1,0,0]=4 53944 B12R1.3206 N#CC1(CCCC1)OCCCO 34a_100000744759_100000230001 [0,2,0,1,0,0|1,0,0]=4 53945 B12R1.3206 N#CC1(CCCC1)OCCCO 7a_100000744759_100011215043 [0,2,0,1,0,0|1,0,0]=4 53946 B12R1.3206 NCC1(CCCC1)OCCCF 34a_100000737848_100011934791 [0,2,0,1,0,0|1,0,0]=4 53947 B12R1.3206 NCC1(CCCC1)OCCCO 34a_100000737848_100000230001 [0,2,0,1,0,0|1,0,0]=4 53948 B12R1.832 CCCCC(C)(C)OC1COC1 7a_100011219641_100009818527 [0,2,0,1,0,0|1,0,0]=4 53949 B12R1.833 CC(C)(CCCBr)OCC1CC1 7a_100009888830_100000742324 [0,2,0,1,0,0|1,0,0]=4 53950 B12R1.833 CCCCC(C)(C)OCC1CC1 7a_100011219641_100000742324 [0,2,0,1,0,0|0,0,0]=3 53951 B12R1.833 CCCCC(C)(C)OCC1CO1 7a_100011219641_102125554688 [0,2,0,1,0,0|1,0,0]=4 53952 B12R1.833 CCCCC(C)(C)OCC1CS1 7a_100011219641_100000031435 [0,2,0,1,0,0|1,0,0]=4 53953 B12R1.833 CCCCC(C)(C)OC[C@@H]1CO1 7a_100011219641_100000745022 [0,2,0,1,0,0|1,0,0]=4 53954 B12R2.2 C1CCC(C1)N2CCCOC2 2230a_100000131196_100000179811 [0,1,0,2,0,0|1,0,0]=4 53955 B12R2.2 C1CCC(C1)N2CCCOC2 269982a_100000131196_100000179811 [0,1,0,2,0,0|1,0,0]=4 53956 B12R2.2 C1CCC(C1)N2CCCOC2 270004a_100000131196_100000210133 [0,1,0,2,0,0|1,0,0]=4 53957 B12R2.2 C1CCC(C1)N2CCCOC2 34a_100000131196_100000179811 [0,1,0,2,0,0|1,0,0]=4 53958 B12R2.2 C1CCC(C1)N2CCOCC2 2230a_100015191051_100000179811 [0,1,0,2,0,0|1,0,0]=4 53959 B12R2.2 C1CCC(C1)N2CCOCC2 269982a_100015191051_100000179811 [0,1,0,2,0,0|1,0,0]=4 53960 B12R2.2 C1CCC(C1)N2CCOCC2 270004a_100015191051_100000210133 [0,1,0,2,0,0|1,0,0]=4 53961 B12R2.2 C1CCC(C1)N2CCOCC2 34a_100015191051_100000179811 [0,1,0,2,0,0|1,0,0]=4 53962 B12R2.2 C1CCC(C1)N2CCSCC2 2230a_100000737611_100000179811 [0,1,0,2,0,0|1,0,0]=4 53963 B12R2.2 C1CCC(C1)N2CCSCC2 269982a_100000737611_100000179811 [0,1,0,2,0,0|1,0,0]=4 53964 B12R2.2 C1CCC(C1)N2CCSCC2 270004a_100000737611_100000210133 [0,1,0,2,0,0|1,0,0]=4 53965 B12R2.2 C1CCC(CC1)N2CCCC2 269982a_100000188435_100000210327 [0,1,0,2,0,0|1,0,0]=4 53966 B12R2.2 C1CCC(CC1)N2CCCC2 270004a_100000188435_100000210434 [0,1,0,2,0,0|1,0,0]=4 53967 B12R2.2 C1CCN(C1)C2CCNCC2 270004a_100000188435_100015192401 [0,1,0,2,0,0|1,0,0]=4 53968 B12R2.2 C1CCN(C1)C2CCOCC2 269982a_100000188435_100011324220 [0,1,0,2,0,0|1,0,0]=4 53969 B12R2.2 C1CCN(C1)C2CCOCC2 270004a_100000188435_100011217826 [0,1,0,2,0,0|1,0,0]=4 53970 B12R2.2 C1CCN(C1)C2CCSCC2 269982a_100000188435_100000069128 [0,1,0,2,0,0|1,0,0]=4 53971 B12R2.2 C1CCN(C1)C2CCSCC2 270004a_100000188435_100000203788 [0,1,0,2,0,0|1,0,0]=4 53972 B12R2.2 C1COCC(C1)N2CCCC2 269982a_100000188435_100000693364 [0,1,0,2,0,0|1,0,0]=4 53973 B12R2.2 C1COCC(C1)N2CCCC2 270004a_100000188435_100000753404 [0,1,0,2,0,0|1,0,0]=4 53974 B12R2.2 C1CSCC(C1)N2CCCC2 270004a_100000188435_100000057913 [0,1,0,2,0,0|1,0,0]=4 53975 B12R2.10 CC1OCCC1N2CCCC2 270004a_100000188435_100000691750 [0,1,0,2,0,0|1,0,0]=4 53976 B12R2.10 CC1SCCN1C2CCCC2 2230a_200011216479_100000179811 [0,1,0,2,0,0|1,0,0]=4 53977 B12R2.10 CC1SCCN1C2CCCC2 269982a_200011216479_100000179811 [0,1,0,2,0,0|1,0,0]=4 53978 B12R2.10 CC1SCCN1C2CCCC2 270004a_200011216479_100000210133 [0,1,0,2,0,0|1,0,0]=4 53979 B12R2.10 CC1SCCN1C2CCCC2 34a_200011216479_100000179811 [0,1,0,2,0,0|1,0,0]=4 53980 B12R2.10 CN1CCCC1C2CCCC2 2230a_100000743374_200000210301 [0,1,0,2,0,0|1,0,0]=4 53981 B12R2.10 CN1CCCC1C2CCCC2 269982a_100000743374_200000210301 [0,1,0,2,0,0|1,0,0]=4 53982 B12R2.10 CN1CCCC1C2CCCC2 34a_100000743374_200000210301 [0,1,0,2,0,0|1,0,0]=4 53983 B12R2.10 C[C@@H]1CCCN1C2CCCC2 2230a_100015189458_100000179811 [0,1,0,2,0,0|1,0,0]=4 53984 B12R2.10 C[C@@H]1CCCN1C2CCCC2 269982a_100015189458_100000179811 [0,1,0,2,0,0|1,0,0]=4 53985 B12R2.10 C[C@@H]1CCCN1C2CCCC2 270004a_100015189458_100000210133 [0,1,0,2,0,0|1,0,0]=4 53986 B12R2.10 C[C@@H]1CCCN1C2CCCC2 34a_100015189458_100000179811 [0,1,0,2,0,0|1,0,0]=4 53987 B12R2.10 C[C@@H]1CCCN1C2CCOC2 2230a_100015189458_100000731011 [0,1,0,2,0,0|1,0,0]=4 53988 B12R2.10 C[C@@H]1CCCN1C2CCOC2 269982a_100015189458_100000731011 [0,1,0,2,0,0|1,0,0]=4 53989 B12R2.10 C[C@@H]1CCCN1C2CCOC2 270004a_100015189458_100000752484 [0,1,0,2,0,0|1,0,0]=4 53990 B12R2.10 C[C@@H]1CCCN1C2CCOC2 34a_100015189458_100000690089 [0,1,0,2,0,0|1,0,0]=4 53991 B12R2.10 C[C@@H]1CCCN1C2CCSC2 270004a_100015189458_100000212027 [0,1,0,2,0,0|1,0,0]=4 53992 B12R2.10 C[C@H]1CCCN1C2CCCC2 2230a_100020605311_100000179811 [0,1,0,2,0,0|1,0,0]=4 53993 B12R2.10 C[C@H]1CCCN1C2CCCC2 269982a_100020605311_100000179811 [0,1,0,2,0,0|1,0,0]=4 53994 B12R2.10 C[C@H]1CCCN1C2CCCC2 270004a_100020605311_100000210133 [0,1,0,2,0,0|1,0,0]=4 53995 B12R2.10 C[C@H]1CCCN1C2CCOC2 2230a_100020605311_100000731011 [0,1,0,2,0,0|1,0,0]=4 53996 B12R2.10 C[C@H]1CCCN1C2CCOC2 269982a_100020605311_100000731011 [0,1,0,2,0,0|1,0,0]=4 53997 B12R2.10 C[C@H]1CCCN1C2CCOC2 270004a_100020605311_100000752484 [0,1,0,2,0,0|1,0,0]=4 53998 B12R2.10 C[C@H]1CCCN1C2CCSC2 270004a_100020605311_100000212027 [0,1,0,2,0,0|1,0,0]=4 53999 B12R2.10 O[C@@H]1CCC[C@H]1N2CCCC2 269982a_100000188435_200016002552 [0,1,0,2,0,0|1,0,0]=4 54000 B12R2.10 [13CH3]N1CCCC1C2CCCC2 2230a_100000743374_200025704644 [0,1,0,2,0,0|1,0,0]=4 54001 B12R2.10 [13CH3]N1CCCC1C2CCCC2 269982a_100000743374_200025704644 [0,1,0,2,0,0|1,0,0]=4 54002 B12R2.10 [13CH3]N1CCCC1C2CCCC2 34a_100000743374_200025704644 [0,1,0,2,0,0|1,0,0]=4 54003 B12R2.12 CC1CCN1CC2CCCC2 269982a_100000755817_100000740388 [0,1,0,2,0,0|1,0,0]=4 54004 B12R2.12 CC1CCN1CC2CCCC2 34a_100000755817_100000740388 [0,1,0,2,0,0|1,0,0]=4 54005 B12R2.12 CC1CCN1CC2CCCO2 269982a_100000755817_100000183445 [0,1,0,2,0,0|1,0,0]=4 54006 B12R2.12 CC1CCN1CC2CCOC2 269982a_100000755817_100000702531 [0,1,0,2,0,0|1,0,0]=4 54007 B12R2.12 CC1CCN1CC2CCOC2 34a_100000755817_100011261433 [0,1,0,2,0,0|1,0,0]=4 54008 B12R2.12 O=C1CCC1OC2CCCC2 34a_100000210269_100009892977 [0,1,0,2,0,0|0,0,1]=4 54009 B12R2.12 O=C1CCC1OC2CCCC2 7a_100000210269_100009892977 [0,1,0,2,0,0|0,0,1]=4 54010 B12R2.20 CC1CC1COC2CCCC2 34a_100000744939_100000179811 [0,1,0,2,0,0|0,0,0]=3 54011 B12R2.20 CC1CC1COC2CCCC2 7a_100000744939_100000179811 [0,1,0,2,0,0|0,0,0]=3 54012 B12R2.20 CC1CC1COC2CCOC2 34a_100000744939_100000690089 [0,1,0,2,0,0|0,0,0]=3 54013 B12R2.20 CC1CC1COC2CCOC2 7a_100000744939_100000731011 [0,1,0,2,0,0|0,0,0]=3 54014 B12R2.98 C1CC(CO1)OC2CCSC2 7a_100011232664_100000731011 [0,1,0,2,0,0|1,0,0]=4 54015 B12R2.98 C1CC(CO1)O[C@H]2CCOC2 34a_100000717292_100000690089 [0,1,0,2,0,0|1,0,0]=4 54016 B12R2.98 C1CCC(C1)CN2CCCC2 2230a_100000188435_100000740388 [0,1,0,2,0,0|1,0,0]=4 54017 B12R2.98 C1CCC(C1)CN2CCCC2 269982a_100000188435_100000740388 [0,1,0,2,0,0|1,0,0]=4 54018 B12R2.98 C1CCC(C1)NC2CCCC2 2230a_100000211070_100000179811 [0,1,0,2,0,0|1,0,0]=4 54019 B12R2.98 C1CCC(C1)NC2CCCC2 270004a_100000211070_100000210133 [0,1,0,2,0,0|1,0,0]=4 54020 B12R2.98 C1CCC(C1)NC2CCCC2 34a_100000211070_100000179811 [0,1,0,2,0,0|1,0,0]=4 54021 B12R2.98 C1CCC(C1)NC2CCOC2 2230a_100000211070_100000731011 [0,1,0,2,0,0|1,0,0]=4 54022 B12R2.98 C1CCC(C1)NC2CCOC2 270004a_100000211070_100000752484 [0,1,0,2,0,0|1,0,0]=4 54023 B12R2.98 C1CCC(C1)NC2CCOC2 34a_100000211070_100000690089 [0,1,0,2,0,0|1,0,0]=4 54024 B12R2.98 C1CCC(C1)NC2CCSC2 270004a_100000211070_100000212027 [0,1,0,2,0,0|1,0,0]=4 54025 B12R2.98 C1CCC(C1)N[C@@H]2CCOC2 2230a_200015188469_100000179811 [0,1,0,2,0,0|1,0,0]=4 54026 B12R2.98 C1CCC(C1)N[C@@H]2CCOC2 270004a_200015188469_100000210133 [0,1,0,2,0,0|1,0,0]=4 54027 B12R2.98 C1CCC(C1)N[C@H]2CCOC2 2230a_100015188467_100000179811 [0,1,0,2,0,0|1,0,0]=4 54028 B12R2.98 C1CCC(C1)N[C@H]2CCOC2 270004a_100015188467_100000210133 [0,1,0,2,0,0|1,0,0]=4 54029 B12R2.98 C1CCC(C1)N[C@H]2CCOC2 34a_100015188467_100000179811 [0,1,0,2,0,0|1,0,0]=4 54030 B12R2.98 C1CCC(C1)OC2CCCC2 34a_100000210269_100000179811 [0,1,0,2,0,0|0,0,0]=3 54031 B12R2.98 C1CCC(C1)OC2CCCC2 7a_100000210269_100000179811 [0,1,0,2,0,0|0,0,0]=3 54032 B12R2.98 C1CCC(C1)OC2CCCO2 34a_100000085407_100000179811 [0,1,0,2,0,0|0,0,0]=3 54033 B12R2.98 C1CCC(C1)OC2CCOC2 34a_100000210269_100000690089 [0,1,0,2,0,0|0,0,0]=3 54034 B12R2.98 C1CCC(C1)OC2CCOC2 7a_100000210269_100000731011 [0,1,0,2,0,0|0,0,0]=3 54035 B12R2.98 C1CCC(C1)OC2CCSC2 7a_100011232664_100000179811 [0,1,0,2,0,0|0,0,0]=3 54036 B12R2.98 C1CCC(C1)O[C@H]2CCOC2 34a_100000717292_100000179811 [0,1,0,2,0,0|0,0,0]=3 54037 B12R2.98 C1CCC(C1)SC2CCCC2 62a_100011217020_100000179811 [0,1,0,2,0,0|0,1,0]=4 54038 B12R2.98 C1CCC(C1)SC2CCOC2 62a_100011217020_100000690089 [0,1,0,2,0,0|0,1,0]=4 54039 B12R2.98 C1CCN(C1)CC2CCOC2 2230a_100000188435_100000702531 [0,1,0,2,0,0|1,0,0]=4 54040 B12R2.98 C1CCN(C1)CC2CCOC2 269982a_100000188435_100000702531 [0,1,0,2,0,0|1,0,0]=4 54041 B12R2.98 C1COC(C1)CN2CCCC2 2230a_100000188435_100000203698 [0,1,0,2,0,0|1,0,0]=4 54042 B12R2.98 C1COC(C1)CN2CCCC2 269982a_100000188435_100000183445 [0,1,0,2,0,0|1,0,0]=4 54043 B12R2.98 C1COC(C1)OC2CCOC2 34a_100000085407_100000690089 [0,1,0,2,0,0|1,0,0]=4 54044 B12R2.144 CCO[C@H]1CO[C@@H]2[C@H]1CCO2 34a_100015698664_100000210202 [0,1,0,2,0,0|1,0,0]=4 54045 B12R2.144 CCO[C@H]1CO[C@@H]2[C@H]1CCO2 7a_100015698664_100000210202 [0,1,0,2,0,0|1,0,0]=4 54046 B12R2.1435 CCCCNC1C2C1COC2 2230a_100000702821_100000210211 [0,1,0,2,0,0|1,0,0]=4 54047 B12R2.1435 CCCCNC1C2C1COC2 34a_100000702821_100000210210 [0,1,0,2,0,0|1,0,0]=4 54048 B12R2.2056 C1=CCC(C1)COC2CCC2 34a_100000688395_100000749161 [0,1,0,2,0,0|0,0,1]=4 54049 B12R2.2056 C1CC(C1)CNC2CCCC2 2230a_100000211070_100000763275 [0,1,0,2,0,0|1,0,0]=4 54050 B12R2.2056 C1CC(C1)CNC2CCCC2 2230a_100000738700_100000179811 [0,1,0,2,0,0|1,0,0]=4 54051 B12R2.2056 C1CC(C1)CNC2CCCC2 269862a_100000211070_100000753134 [0,1,0,2,0,0|1,0,0]=4 54052 B12R2.2056 C1CC(C1)CNC2CCCC2 270004a_100000738700_100000210133 [0,1,0,2,0,0|1,0,0]=4 54053 B12R2.2056 C1CC(C1)CNC2CCCC2 34a_100000211070_100000763275 [0,1,0,2,0,0|1,0,0]=4 54054 B12R2.2056 C1CC(C1)CNC2CCCC2 34a_100000738700_100000179811 [0,1,0,2,0,0|1,0,0]=4 54055 B12R2.2056 C1CC(C1)CNC2CCOC2 2230a_100000738700_100000731011 [0,1,0,2,0,0|1,0,0]=4 54056 B12R2.2056 C1CC(C1)CNC2CCOC2 270004a_100000738700_100000752484 [0,1,0,2,0,0|1,0,0]=4 54057 B12R2.2056 C1CC(C1)CNC2CCOC2 34a_100000738700_100000690089 [0,1,0,2,0,0|1,0,0]=4 54058 B12R2.2056 C1CC(C1)CNC2CCSC2 270004a_100000738700_100000212027 [0,1,0,2,0,0|1,0,0]=4 54059 B12R2.2056 C1CC(C1)CN[C@@H]2CCOC2 2230a_200015188469_100000763275 [0,1,0,2,0,0|1,0,0]=4 54060 B12R2.2056 C1CC(C1)CN[C@@H]2CCOC2 269862a_200015188469_100000753134 [0,1,0,2,0,0|1,0,0]=4 54061 B12R2.2056 C1CC(C1)CN[C@H]2CCOC2 2230a_100015188467_100000763275 [0,1,0,2,0,0|1,0,0]=4 54062 B12R2.2056 C1CC(C1)CN[C@H]2CCOC2 269862a_100015188467_100000753134 [0,1,0,2,0,0|1,0,0]=4 54063 B12R2.2056 C1CC(C1)CN[C@H]2CCOC2 34a_100015188467_100000763275 [0,1,0,2,0,0|1,0,0]=4 54064 B12R2.2056 C1CC(C1)COC2CCCC2 34a_100000210269_100000763275 [0,1,0,2,0,0|0,0,0]=3 54065 B12R2.2056 C1CC(C1)COC2CCCC2 34a_100000760304_100000179811 [0,1,0,2,0,0|0,0,0]=3 54066 B12R2.2056 C1CC(C1)COC2CCCC2 7a_100000210269_100000763275 [0,1,0,2,0,0|0,0,0]=3 54067 B12R2.2056 C1CC(C1)COC2CCCO2 34a_100000085407_100000763275 [0,1,0,2,0,0|0,0,0]=3 54068 B12R2.2056 C1CC(C1)COC2CCOC2 34a_100000760304_100000690089 [0,1,0,2,0,0|0,0,0]=3 54069 B12R2.2056 C1CC(C1)COC2CCSC2 7a_100011232664_100000763275 [0,1,0,2,0,0|0,0,0]=3 54070 B12R2.2056 C1CC(C1)CO[C@H]2CCOC2 34a_100000717292_100000763275 [0,1,0,2,0,0|0,0,0]=3 54071 B12R2.2056 C1CC(C1)CSC2CCCC2 62a_100000763275_100000179811 [0,1,0,2,0,0|0,1,0]=4 54072 B12R2.2056 C1CC(C1)CSC2CCCC2 62a_100011217020_100000763275 [0,1,0,2,0,0|0,1,0]=4 54073 B12R2.2056 C1CC(C1)CSC2CCOC2 62a_100000763275_100000690089 [0,1,0,2,0,0|0,1,0]=4 54074 B12R2.2056 C1CC(C1)NCC2CCCO2 2230a_100000749019_100000203698 [0,1,0,2,0,0|1,0,0]=4 54075 B12R2.2056 C1CC(C1)NCC2CCOC2 2230a_100000749019_100000702531 [0,1,0,2,0,0|1,0,0]=4 54076 B12R2.2056 C1CC(C1)NCC2CCOC2 270004a_100000737293_100000241760 [0,1,0,2,0,0|1,0,0]=4 54077 B12R2.2056 C1CC(C1)NCC2CCOC2 34a_100000737293_100000749161 [0,1,0,2,0,0|1,0,0]=4 54078 B12R2.2056 C1CC(C1)NCC2CCOC2 34a_100000749019_100011261433 [0,1,0,2,0,0|1,0,0]=4 54079 B12R2.2056 C1CC(C1)NC[C@@H]2CCCO2 270004a_100020590478_100000241760 [0,1,0,2,0,0|1,0,0]=4 54080 B12R2.2056 C1CC(C1)NC[C@@H]2CCCO2 34a_100020590478_100000749161 [0,1,0,2,0,0|1,0,0]=4 54081 B12R2.2056 C1CC(C1)OCC2CCCO2 34a_100000210270_100000749161 [0,1,0,2,0,0|0,0,0]=3 54082 B12R2.2056 C1CC(C1)OCC2CCNC2 34a_100000748654_100000749161 [0,1,0,2,0,0|0,0,0]=3 54083 B12R2.2056 C1CC(C1)OCC2CCOC2 34a_100000740260_100000749161 [0,1,0,2,0,0|0,0,0]=3 54084 B12R2.2056 C1CC(C1)OCC2CCOC2 34a_100000748187_100011261433 [0,1,0,2,0,0|0,0,0]=3 54085 B12R2.2056 C1CC(C1)OCC2COCO2 34a_100011216627_100000749161 [0,1,0,2,0,0|1,0,0]=4 54086 B12R2.2056 C1CC(C1)OCC2OCCO2 34a_100000087154_100000749161 [0,1,0,2,0,0|1,0,0]=4 54087 B12R2.2056 C1CC(C1)OCC2OCCO2 34a_100000748187_100000755774 [0,1,0,2,0,0|1,0,0]=4 54088 B12R2.2056 C1CC(C1)OC[C@H]2CCCN2 34a_100000745186_100000749161 [0,1,0,2,0,0|0,0,0]=3 54089 B12R2.2056 C1CC(C1)SCC2CCOC2 62a_100000702531_100000749161 [0,1,0,2,0,0|0,1,0]=4 54090 B12R2.2056 C1CC(CN1)COC2COC2 34a_100000748654_100009818527 [0,1,0,2,0,0|1,0,0]=4 54091 B12R2.2056 C1CC(CO1)COC2COC2 34a_100000740260_100009818527 [0,1,0,2,0,0|1,0,0]=4 54092 B12R2.2056 C1CC(CO1)COC2CSC2 7a_100000072292_100000702531 [0,1,0,2,0,0|1,0,0]=4 54093 B12R2.2056 C1CC(CO1)OCC2CCO2 34a_100000039022_100000690089 [0,1,0,2,0,0|1,0,0]=4 54094 B12R2.2056 C1CC(CO1)OCC2CNC2 34a_100016987283_100000690089 [0,1,0,2,0,0|1,0,0]=4 54095 B12R2.2056 C1CC(CO1)OCC2COC2 34a_100000060846_100000690089 [0,1,0,2,0,0|1,0,0]=4 54096 B12R2.2056 C1CC(CS1)OCC2COC2 7a_100011232664_100010264016 [0,1,0,2,0,0|1,0,0]=4 54097 B12R2.2056 C1CC(O1)COC2CCSC2 7a_100011232664_100000103362 [0,1,0,2,0,0|1,0,0]=4 54098 B12R2.2056 C1CCC(C1)CCN2CCC2 269982a_100000754969_100000760354 [0,1,0,2,0,0|1,0,0]=4 54099 B12R2.2056 C1CCC(C1)CNC2CCC2 2230a_100000749019_100000740388 [0,1,0,2,0,0|1,0,0]=4 54100 B12R2.2056 C1CCC(C1)CNC2CCC2 269862a_100000749019_100000746403 [0,1,0,2,0,0|1,0,0]=4 54101 B12R2.2056 C1CCC(C1)CNC2CCC2 270004a_100000737975_100000241760 [0,1,0,2,0,0|1,0,0]=4 54102 B12R2.2056 C1CCC(C1)CNC2CCC2 34a_100000737975_100000749161 [0,1,0,2,0,0|1,0,0]=4 54103 B12R2.2056 C1CCC(C1)CNC2CCC2 34a_100000749019_100000740388 [0,1,0,2,0,0|1,0,0]=4 54104 B12R2.2056 C1CCC(C1)COC2CCC2 34a_100000742336_100000749161 [0,1,0,2,0,0|0,0,0]=3 54105 B12R2.2056 C1CCC(C1)COC2CCC2 34a_100000748187_100000740388 [0,1,0,2,0,0|0,0,0]=3 54106 B12R2.2056 C1CCC(C1)COC2COC2 34a_100000742336_100009818527 [0,1,0,2,0,0|1,0,0]=4 54107 B12R2.2056 C1CCC(C1)COC2COC2 7a_100000742336_100009818527 [0,1,0,2,0,0|1,0,0]=4 54108 B12R2.2056 C1CCC(C1)COC2CSC2 7a_100000072292_100000740388 [0,1,0,2,0,0|1,0,0]=4 54109 B12R2.2056 C1CCC(C1)CSC2CCC2 62a_100000740388_100000749161 [0,1,0,2,0,0|0,1,0]=4 54110 B12R2.2056 C1CCC(C1)NCC2CCO2 2230a_100000211070_100000103362 [0,1,0,2,0,0|1,0,0]=4 54111 B12R2.2056 C1CCC(C1)NCC2CCO2 34a_100000211070_100000103362 [0,1,0,2,0,0|1,0,0]=4 54112 B12R2.2056 C1CCC(C1)NCC2COC2 2230a_100000211070_100010264016 [0,1,0,2,0,0|1,0,0]=4 54113 B12R2.2056 C1CCC(C1)NCC2COC2 2230a_100015281925_100000179811 [0,1,0,2,0,0|1,0,0]=4 54114 B12R2.2056 C1CCC(C1)NCC2COC2 270004a_100015281925_100000210133 [0,1,0,2,0,0|1,0,0]=4 54115 B12R2.2056 C1CCC(C1)NCC2COC2 34a_100000211070_100010264016 [0,1,0,2,0,0|1,0,0]=4 54116 B12R2.2056 C1CCC(C1)NCC2COC2 34a_100015281925_100000179811 [0,1,0,2,0,0|1,0,0]=4 54117 B12R2.2056 C1CCC(C1)NC[C@@H]2CCO2 2230a_100020831831_100000179811 [0,1,0,2,0,0|1,0,0]=4 54118 B12R2.2056 C1CCC(C1)NC[C@@H]2CCO2 270004a_100020831831_100000210133 [0,1,0,2,0,0|1,0,0]=4 54119 B12R2.2056 C1CCC(C1)NC[C@@H]2CCO2 34a_100020831831_100000179811 [0,1,0,2,0,0|1,0,0]=4 54120 B12R2.2056 C1CCC(C1)OCC2CCO2 34a_100000039022_100000179811 [0,1,0,2,0,0|0,0,0]=3 54121 B12R2.2056 C1CCC(C1)OCC2CCO2 34a_100000210269_100000103362 [0,1,0,2,0,0|0,0,0]=3 54122 B12R2.2056 C1CCC(C1)OCC2CCO2 7a_100000210269_100000103362 [0,1,0,2,0,0|0,0,0]=3 54123 B12R2.2056 C1CCC(C1)OCC2CNC2 34a_100016987283_100000179811 [0,1,0,2,0,0|0,0,0]=3 54124 B12R2.2056 C1CCC(C1)OCC2COC2 34a_100000060846_100000179811 [0,1,0,2,0,0|0,0,0]=3 54125 B12R2.2056 C1CCC(C1)OCC2COC2 34a_100000210269_100010264016 [0,1,0,2,0,0|0,0,0]=3 54126 B12R2.2056 C1CCC(C1)OCC2COC2 7a_100000210269_100010264016 [0,1,0,2,0,0|0,0,0]=3 54127 B12R2.2056 C1CCC(C1)SCC2CCO2 62a_100000103362_100000179811 [0,1,0,2,0,0|0,1,0]=4 54128 B12R2.2056 C1CCC(C1)SCC2CCO2 62a_100011217020_100000103362 [0,1,0,2,0,0|0,1,0]=4 54129 B12R2.2056 C1CCC(C1)SCC2COC2 62a_100010264016_100000179811 [0,1,0,2,0,0|0,1,0]=4 54130 B12R2.2056 C1CCC(C1)SCC2COC2 62a_100011217020_100010264016 [0,1,0,2,0,0|0,1,0]=4 54131 B12R2.2056 C1CCN(C1)CCN2CCC2 269982a_100000754969_100000004467 [0,1,0,2,0,0|1,0,0]=4 54132 B12R2.2056 C1CN[C@H](C1)COC2COC2 34a_100000745186_100009818527 [0,1,0,2,0,0|1,0,0]=4 54133 B12R2.2056 C1COC(C1)COC2COC2 34a_100000210270_100009818527 [0,1,0,2,0,0|1,0,0]=4 54134 B12R2.2056 C1COC(C1)COC2COC2 7a_100000210270_100009818527 [0,1,0,2,0,0|1,0,0]=4 54135 B12R2.2056 C1COC(C1)COC2CSC2 7a_100000072292_100000203698 [0,1,0,2,0,0|1,0,0]=4 54136 B12R2.2056 C1COC(C1)CSC2CCC2 62a_100000203698_100000749161 [0,1,0,2,0,0|0,1,0]=4 54137 B12R2.2056 C1COC(C1)OCC2CCO2 34a_100000085407_100000103362 [0,1,0,2,0,0|1,0,0]=4 54138 B12R2.2056 C1COC(C1)OCC2COC2 34a_100000085407_100010264016 [0,1,0,2,0,0|1,0,0]=4 54139 B12R2.2056 C1C[C@@H](CO1)OCC2CCO2 34a_100000717292_100000103362 [0,1,0,2,0,0|1,0,0]=4 54140 B12R2.2056 C1C[C@@H](CO1)OCC2COC2 34a_100000717292_100010264016 [0,1,0,2,0,0|1,0,0]=4 54141 B12R2.2336 CCCCN1CC2CCC1C2 2230a_100000743476_100000210211 [0,1,0,2,0,0|1,0,0]=4 54142 B12R2.2336 CCCCN1CC2CCC1C2 269982a_100000743476_100000210211 [0,1,0,2,0,0|1,0,0]=4 54143 B12R2.2336 CCCCN1CC2CCC1C2 34a_100000743476_100000210210 [0,1,0,2,0,0|1,0,0]=4 54144 B12R2.2336 CCCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000210211 [0,1,0,2,0,0|1,0,0]=4 54145 B12R2.2336 CCCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000210211 [0,1,0,2,0,0|1,0,0]=4 54146 B12R2.2336 CCCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000210210 [0,1,0,2,0,0|1,0,0]=4 54147 B12R2.2336 CCCNC1CC2CCC1C2 2230a_100000758229_100000210303 [0,1,0,2,0,0|1,0,0]=4 54148 B12R2.2336 CCCNC1CC2CCC1C2 269862a_100020643023_100000223372 [0,1,0,2,0,0|1,0,0]=4 54149 B12R2.2336 CCCNC1CC2CCC1C2 270004a_100020643023_100000223372 [0,1,0,2,0,0|1,0,0]=4 54150 B12R2.2336 CCCNC1CC2CCC1C2 34a_100000758229_100000210303 [0,1,0,2,0,0|1,0,0]=4 54151 B12R2.2336 CCCOC1CC2CCC1C2 34a_100000210258_100000727232 [0,1,0,2,0,0|1,0,0]=4 54152 B12R2.2336 CCCOC1CC2CCC1C2 34a_100000211339_100000210303 [0,1,0,2,0,0|1,0,0]=4 54153 B12R2.2336 CCCSC1CC2CCC1C2 62a_100000210303_100000727232 [0,1,0,2,0,0|1,0,0]=4 54154 B12R2.2336 CCCSC1CC2CCC1C2 62a_100000727232_100000210303 [0,1,0,2,0,0|1,0,0]=4 54155 B12R2.2336 CCNCC1CC2CCC1C2 269862a_100015525214_100000697602 [0,1,0,2,0,0|1,0,0]=4 54156 B12R2.2336 CCNCC1CC2CCC1C2 270004a_100015525214_100000697602 [0,1,0,2,0,0|1,0,0]=4 54157 B12R2.2336 CCOCC1CC2CCC1C2 34a_100000229996_100000210202 [0,1,0,2,0,0|1,0,0]=4 54158 B12R2.2383 C(CC1CC1)NC2CCOC2 270004a_100000764129_100000752484 [0,1,0,2,0,0|1,0,0]=4 54159 B12R2.2383 C(CC1CC1)NC2CCOC2 34a_100000764129_100000690089 [0,1,0,2,0,0|1,0,0]=4 54160 B12R2.2383 C(CC1CC1)NC2CCSC2 270004a_100000764129_100000212027 [0,1,0,2,0,0|1,0,0]=4 54161 B12R2.2383 C(CC1CC1)N[C@@H]2CCOC2 2230a_200015188469_100000694398 [0,1,0,2,0,0|1,0,0]=4 54162 B12R2.2383 C(CC1CC1)N[C@H]2CCOC2 2230a_100015188467_100000694398 [0,1,0,2,0,0|1,0,0]=4 54163 B12R2.2383 C(CC1CC1)N[C@H]2CCOC2 34a_100015188467_100000694398 [0,1,0,2,0,0|1,0,0]=4 54164 B12R2.2383 C(CC1CC1)OC2CCSC2 7a_100011232664_100000764125 [0,1,0,2,0,0|0,0,0]=3 54165 B12R2.2383 C(CC1CO1)OC2CCSC2 7a_100011232664_100000732470 [0,1,0,2,0,0|1,0,0]=4 54166 B12R2.2383 C1=CCC(C1)COCC2CC2 34a_100000688395_100000742324 [0,1,0,2,0,0|0,0,1]=4 54167 B12R2.2383 C1CC(CN1)COCC2CC2 34a_100000748654_100000742324 [0,1,0,2,0,0|0,0,0]=3 54168 B12R2.2383 C1CC(CN1)COCC2CO2 34a_100000748654_102125554688 [0,1,0,2,0,0|1,0,0]=4 54169 B12R2.2383 C1CC(CO1)CNCC2CC2 2230a_100000735609_100000702531 [0,1,0,2,0,0|1,0,0]=4 54170 B12R2.2383 C1CC(CO1)CNCC2CC2 2230a_100000737293_100000742324 [0,1,0,2,0,0|1,0,0]=4 54171 B12R2.2383 C1CC(CO1)CNCC2CC2 269862a_100000737293_100000741477 [0,1,0,2,0,0|1,0,0]=4 54172 B12R2.2383 C1CC(CO1)CNCC2CC2 34a_100000735609_100011261433 [0,1,0,2,0,0|1,0,0]=4 54173 B12R2.2383 C1CC(CO1)CNCC2CC2 34a_100000737293_100000742324 [0,1,0,2,0,0|1,0,0]=4 54174 B12R2.2383 C1CC(CO1)COCC2CC2 34a_100000211283_100011261433 [0,1,0,2,0,0|0,0,0]=3 54175 B12R2.2383 C1CC(CO1)COCC2CC2 34a_100000740260_100000742324 [0,1,0,2,0,0|0,0,0]=3 54176 B12R2.2383 C1CC(CO1)COCC2CO2 34a_100000740260_102125554688 [0,1,0,2,0,0|1,0,0]=4 54177 B12R2.2383 C1CC(CO1)COC[C@@H]2CO2 34a_100000757423_100011261433 [0,1,0,2,0,0|1,0,0]=4 54178 B12R2.2383 C1CC(CO1)CSCC2CC2 62a_100000702531_100000742324 [0,1,0,2,0,0|0,1,0]=4 54179 B12R2.2383 C1CC(CO1)CSCC2CC2 62a_100000756562_100000702531 [0,1,0,2,0,0|0,1,0]=4 54180 B12R2.2383 C1CC(CO1)OCCC2CC2 34a_100000754188_100000690089 [0,1,0,2,0,0|0,0,0]=3 54181 B12R2.2383 C1CC(CO1)OCCC2CC2 7a_100000754188_100000731011 [0,1,0,2,0,0|0,0,0]=3 54182 B12R2.2383 C1CC(CO1)OCC[C@@H]2CO2 34a_100009820653_100000690089 [0,1,0,2,0,0|1,0,0]=4 54183 B12R2.2383 C1CC(CO1)SCCC2CC2 62a_100000764125_100000690089 [0,1,0,2,0,0|0,1,0]=4 54184 B12R2.2383 C1CCC(C1)CCNC2CC2 34a_100000212008_100000760354 [0,1,0,2,0,0|1,0,0]=4 54185 B12R2.2383 C1CCC(C1)CCNC2CC2 34a_100000739158_100000211595 [0,1,0,2,0,0|1,0,0]=4 54186 B12R2.2383 C1CCC(C1)CCOC2CC2 34a_100000749090_100000211595 [0,1,0,2,0,0|1,0,0]=4 54187 B12R2.2383 C1CCC(C1)CCSC2CC2 62a_100000760354_100000211595 [0,1,0,2,0,0|1,0,0]=4 54188 B12R2.2383 C1CCC(C1)CNCC2CC2 2230a_100000735609_100000740388 [0,1,0,2,0,0|1,0,0]=4 54189 B12R2.2383 C1CCC(C1)CNCC2CC2 2230a_100000737975_100000742324 [0,1,0,2,0,0|1,0,0]=4 54190 B12R2.2383 C1CCC(C1)CNCC2CC2 269862a_100000737975_100000741477 [0,1,0,2,0,0|1,0,0]=4 54191 B12R2.2383 C1CCC(C1)CNCC2CC2 34a_100000735609_100000740388 [0,1,0,2,0,0|1,0,0]=4 54192 B12R2.2383 C1CCC(C1)CNCC2CC2 34a_100000737975_100000742324 [0,1,0,2,0,0|1,0,0]=4 54193 B12R2.2383 C1CCC(C1)COCC2CC2 34a_100000211283_100000740388 [0,1,0,2,0,0|0,0,0]=3 54194 B12R2.2383 C1CCC(C1)COCC2CC2 34a_100000742336_100000742324 [0,1,0,2,0,0|0,0,0]=3 54195 B12R2.2383 C1CCC(C1)COCC2CC2 7a_100000742336_100000742324 [0,1,0,2,0,0|0,0,0]=3 54196 B12R2.2383 C1CCC(C1)COCC2CO2 34a_100000742336_102125554688 [0,1,0,2,0,0|1,0,0]=4 54197 B12R2.2383 C1CCC(C1)COCC2CO2 7a_100000742336_102125554688 [0,1,0,2,0,0|1,0,0]=4 54198 B12R2.2383 C1CCC(C1)COCC2CS2 7a_100000742336_100000031435 [0,1,0,2,0,0|1,0,0]=4 54199 B12R2.2383 C1CCC(C1)COC[C@@H]2CO2 34a_100000757423_100000740388 [0,1,0,2,0,0|1,0,0]=4 54200 B12R2.2383 C1CCC(C1)COC[C@@H]2CO2 7a_100000742336_100000745022 [0,1,0,2,0,0|1,0,0]=4 54201 B12R2.2383 C1CCC(C1)CSCC2CC2 62a_100000740388_100000742324 [0,1,0,2,0,0|0,1,0]=4 54202 B12R2.2383 C1CCC(C1)CSCC2CC2 62a_100000756562_100000740388 [0,1,0,2,0,0|0,1,0]=4 54203 B12R2.2383 C1CCC(C1)NCCC2CC2 2230a_100000211070_100000694398 [0,1,0,2,0,0|1,0,0]=4 54204 B12R2.2383 C1CCC(C1)NCCC2CC2 270004a_100000764129_100000210133 [0,1,0,2,0,0|1,0,0]=4 54205 B12R2.2383 C1CCC(C1)NCCC2CC2 34a_100000211070_100000694398 [0,1,0,2,0,0|1,0,0]=4 54206 B12R2.2383 C1CCC(C1)NCCC2CC2 34a_100000764129_100000179811 [0,1,0,2,0,0|1,0,0]=4 54207 B12R2.2383 C1CCC(C1)NCCC2CO2 2230a_100000211070_100000732470 [0,1,0,2,0,0|1,0,0]=4 54208 B12R2.2383 C1CCC(C1)NCCC2CO2 34a_100000211070_100000732470 [0,1,0,2,0,0|1,0,0]=4 54209 B12R2.2383 C1CCC(C1)OCCC2CC2 34a_100000210269_100000694398 [0,1,0,2,0,0|0,0,0]=3 54210 B12R2.2383 C1CCC(C1)OCCC2CC2 34a_100000754188_100000179811 [0,1,0,2,0,0|0,0,0]=3 54211 B12R2.2383 C1CCC(C1)OCCC2CC2 7a_100000210269_100000764125 [0,1,0,2,0,0|0,0,0]=3 54212 B12R2.2383 C1CCC(C1)OCCC2CC2 7a_100000754188_100000179811 [0,1,0,2,0,0|0,0,0]=3 54213 B12R2.2383 C1CCC(C1)OCCC2CO2 34a_100000210269_100000732470 [0,1,0,2,0,0|0,0,0]=3 54214 B12R2.2383 C1CCC(C1)OCCC2CO2 7a_100000210269_100000732470 [0,1,0,2,0,0|0,0,0]=3 54215 B12R2.2383 C1CCC(C1)OCC[C@@H]2CO2 34a_100009820653_100000179811 [0,1,0,2,0,0|0,0,0]=3 54216 B12R2.2383 C1CCC(C1)SCCC2CC2 62a_100000764125_100000179811 [0,1,0,2,0,0|0,1,0]=4 54217 B12R2.2383 C1CCC(C1)SCCC2CC2 62a_100011217020_100000764125 [0,1,0,2,0,0|0,1,0]=4 54218 B12R2.2383 C1CCC(C1)SCCC2CO2 62a_100000732470_100000179811 [0,1,0,2,0,0|0,1,0]=4 54219 B12R2.2383 C1CCC(C1)SCCC2CO2 62a_100011217020_100000732470 [0,1,0,2,0,0|0,1,0]=4 54220 B12R2.2383 C1CCN(C1)CCCC2CO2 2230a_100000188435_100000733510 [0,1,0,2,0,0|1,0,0]=4 54221 B12R2.2383 C1CCN(C1)CCCC2CO2 269982a_100000188435_100000733510 [0,1,0,2,0,0|1,0,0]=4 54222 B12R2.2383 C1CCN(C1)CCSC2CC2 62a_100000700749_100000211595 [0,1,0,2,0,0|1,0,0]=4 54223 B12R2.2383 C1CN[C@H](C1)COCC2CC2 34a_100000745186_100000742324 [0,1,0,2,0,0|0,0,0]=3 54224 B12R2.2383 C1CN[C@H](C1)COCC2CO2 34a_100000745186_102125554688 [0,1,0,2,0,0|1,0,0]=4 54225 B12R2.2383 C1COC(C1)CNCC2CC2 2230a_100000735609_100000203698 [0,1,0,2,0,0|1,0,0]=4 54226 B12R2.2383 C1COC(C1)COCC2CC2 34a_100000210270_100000742324 [0,1,0,2,0,0|0,0,0]=3 54227 B12R2.2383 C1COC(C1)COCC2CC2 7a_100000210270_100000742324 [0,1,0,2,0,0|0,0,0]=3 54228 B12R2.2383 C1COC(C1)COCC2CO2 34a_100000210270_102125554688 [0,1,0,2,0,0|1,0,0]=4 54229 B12R2.2383 C1COC(C1)COCC2CO2 7a_100000210270_102125554688 [0,1,0,2,0,0|1,0,0]=4 54230 B12R2.2383 C1COC(C1)COCC2CS2 7a_100000210270_100000031435 [0,1,0,2,0,0|1,0,0]=4 54231 B12R2.2383 C1COC(C1)COC[C@@H]2CO2 7a_100000210270_100000745022 [0,1,0,2,0,0|1,0,0]=4 54232 B12R2.2383 C1COC(C1)CSCC2CC2 62a_100000203698_100000742324 [0,1,0,2,0,0|0,1,0]=4 54233 B12R2.2383 C1COC(C1)CSCC2CC2 62a_100000756562_100000203698 [0,1,0,2,0,0|0,1,0]=4 54234 B12R2.2383 C1COC(C1)OCCC2CC2 34a_100000085407_100000694398 [0,1,0,2,0,0|0,0,0]=3 54235 B12R2.2383 C1COC(C1)OCCC2CO2 34a_100000085407_100000732470 [0,1,0,2,0,0|1,0,0]=4 54236 B12R2.2383 C1COC(O1)COCC2CC2 34a_100000087154_100000742324 [0,1,0,2,0,0|1,0,0]=4 54237 B12R2.2383 C1COC(O1)COCC2CC2 34a_100000211283_100000755774 [0,1,0,2,0,0|1,0,0]=4 54238 B12R2.2383 C1CO[C@@H](C1)CNCC2CC2 2230a_100020590478_100000742324 [0,1,0,2,0,0|1,0,0]=4 54239 B12R2.2383 C1CO[C@@H](C1)CNCC2CC2 269862a_100020590478_100000741477 [0,1,0,2,0,0|1,0,0]=4 54240 B12R2.2383 C1CO[C@@H](C1)CNCC2CC2 34a_100020590478_100000742324 [0,1,0,2,0,0|1,0,0]=4 54241 B12R2.2383 C1C[C@@H](CO1)OCCC2CC2 34a_100000717292_100000694398 [0,1,0,2,0,0|0,0,0]=3 54242 B12R2.2383 C1C[C@@H](CO1)OCCC2CO2 34a_100000717292_100000732470 [0,1,0,2,0,0|1,0,0]=4 54243 B12R2.2383 C1OCC(O1)COCC2CC2 34a_100011216627_100000742324 [0,1,0,2,0,0|1,0,0]=4 54244 B12R2.8 CN1CCOC12CCCCC2 269982a_200015422347_200000210301 [0,1,0,2,0,0|1,0,0]=4 54245 B12R2.8 CN1CCOC12CCCCC2 34a_200015422347_200000210301 [0,1,0,2,0,0|1,0,0]=4 54246 B12R2.8 [13CH3]N1CCOC12CCCCC2 269982a_200015422347_200025704644 [0,1,0,2,0,0|1,0,0]=4 54247 B12R2.8 [13CH3]N1CCOC12CCCCC2 34a_200015422347_200025704644 [0,1,0,2,0,0|1,0,0]=4 54248 B12R2.16 CNCC1CC12CCCCC2 2230a_100015185624_200000210301 [0,1,0,2,0,0|1,0,0]=4 54249 B12R2.16 CNCC1CC12CCCCC2 34a_100015185624_200000210301 [0,1,0,2,0,0|1,0,0]=4 54250 B12R2.16 [13CH3]NCC1CC12CCCCC2 2230a_100015185624_200025704644 [0,1,0,2,0,0|1,0,0]=4 54251 B12R2.16 [13CH3]NCC1CC12CCCCC2 34a_100015185624_200025704644 [0,1,0,2,0,0|1,0,0]=4 54252 B12R2.186 CCCN1CC2CCC1CC2 2230a_100000750499_100000210303 [0,1,0,2,0,0|1,0,0]=4 54253 B12R2.186 CCCN1CC2CCC1CC2 269982a_100000750499_100000210303 [0,1,0,2,0,0|1,0,0]=4 54254 B12R2.186 CCCN1CC2CCC1CC2 34a_100000750499_100000210303 [0,1,0,2,0,0|1,0,0]=4 54255 B12R2.186 CCN[C@H]1CN2CCC1CC2 2230a_100016987387_100000210202 [0,1,0,2,0,0|1,0,0]=4 54256 B12R2.1081 CN1CCCC2C1CCCC2 2230a_100000211887_200000210301 [0,1,0,2,0,0|1,0,0]=4 54257 B12R2.1081 CN1CCCC2C1CCCC2 269982a_100000211887_200000210301 [0,1,0,2,0,0|1,0,0]=4 54258 B12R2.1081 CN1CCCC2C1CCCC2 34a_100000211887_200000210301 [0,1,0,2,0,0|1,0,0]=4 54259 B12R2.1081 CN1CCOC2C1CCCC2 2230a_200000741227_200000210301 [0,1,0,2,0,0|1,0,0]=4 54260 B12R2.1081 CN1CCOC2C1CCCC2 269982a_200000741227_200000210301 [0,1,0,2,0,0|1,0,0]=4 54261 B12R2.1081 CN1CCOC2C1CCCC2 34a_200000741227_200000210301 [0,1,0,2,0,0|1,0,0]=4 54262 B12R2.1081 [13CH3]N1CCCC2C1CCCC2 2230a_100000211887_200025704644 [0,1,0,2,0,0|1,0,0]=4 54263 B12R2.1081 [13CH3]N1CCCC2C1CCCC2 269982a_100000211887_200025704644 [0,1,0,2,0,0|1,0,0]=4 54264 B12R2.1081 [13CH3]N1CCCC2C1CCCC2 34a_100000211887_200025704644 [0,1,0,2,0,0|1,0,0]=4 54265 B12R2.1081 [13CH3]N1CCOC2C1CCCC2 2230a_200000741227_200025704644 [0,1,0,2,0,0|1,0,0]=4 54266 B12R2.1081 [13CH3]N1CCOC2C1CCCC2 269982a_200000741227_200025704644 [0,1,0,2,0,0|1,0,0]=4 54267 B12R2.1081 [13CH3]N1CCOC2C1CCCC2 34a_200000741227_200025704644 [0,1,0,2,0,0|1,0,0]=4 54268 B12R2.1488 CCCC(C)N1CC2CC2C1 2230a_100000741873_100000766640 [0,1,0,2,0,0|1,0,0]=4 54269 B12R2.1488 CCCC(C)N1CC2CC2C1 269982a_100000741873_100000766640 [0,1,0,2,0,0|1,0,0]=4 54270 B12R2.1488 CCCC(C)N1CC2CC2C1 270004a_100000741873_100000211909 [0,1,0,2,0,0|1,0,0]=4 54271 B12R2.1488 CCCC(C)N1CC2CC2C1 34a_100000741873_100000766640 [0,1,0,2,0,0|1,0,0]=4 54272 B12R2.24 CN1CCC2CCCCC2C1 2230a_100000211783_200000210301 [0,1,0,2,0,0|1,0,0]=4 54273 B12R2.24 CN1CCC2CCCCC2C1 269982a_100000211783_200000210301 [0,1,0,2,0,0|1,0,0]=4 54274 B12R2.24 CN1CCC2CCCCC2C1 34a_100000211783_200000210301 [0,1,0,2,0,0|1,0,0]=4 54275 B12R2.24 CN1CCN2CCOC[C@@H]2C1 2230a_100016992982_200000210301 [0,1,0,2,0,0|1,0,0]=4 54276 B12R2.24 CN1CCN2CCOC[C@@H]2C1 269982a_100016992982_200000210301 [0,1,0,2,0,0|1,0,0]=4 54277 B12R2.24 CN1CCN2CCOC[C@@H]2C1 34a_100016992982_200000210301 [0,1,0,2,0,0|1,0,0]=4 54278 B12R2.24 [13CH3]N1CCC2CCCCC2C1 2230a_100000211783_200025704644 [0,1,0,2,0,0|1,0,0]=4 54279 B12R2.24 [13CH3]N1CCC2CCCCC2C1 269982a_100000211783_200025704644 [0,1,0,2,0,0|1,0,0]=4 54280 B12R2.24 [13CH3]N1CCC2CCCCC2C1 34a_100000211783_200025704644 [0,1,0,2,0,0|1,0,0]=4 54281 B12R2.24 [13CH3]N1CCN2CCOC[C@@H]2C1 2230a_100016992982_200025704644 [0,1,0,2,0,0|1,0,0]=4 54282 B12R2.24 [13CH3]N1CCN2CCOC[C@@H]2C1 269982a_100016992982_200025704644 [0,1,0,2,0,0|1,0,0]=4 54283 B12R2.24 [13CH3]N1CCN2CCOC[C@@H]2C1 34a_100016992982_200025704644 [0,1,0,2,0,0|1,0,0]=4 54284 B12R2.1286 C[C@H]1CCCN(C1)CC2CC2 2230a_100000717927_100000742324 [0,1,0,2,0,0|1,0,0]=4 54285 B12R2.1286 C[C@H]1CCCN(C1)CC2CC2 269982a_100000717927_100000756562 [0,1,0,2,0,0|1,0,0]=4 54286 B12R2.1286 C[C@H]1CCCN(C1)CC2CC2 34a_100000717927_100000742324 [0,1,0,2,0,0|1,0,0]=4 54287 B12R2.1286 FC1CCCN(C1)CC2CC2 2230a_100000697950_100000742324 [0,1,0,2,0,0|1,0,0]=4 54288 B12R2.1286 FC1CCCN(C1)CC2CC2 269982a_100000697950_100000756562 [0,1,0,2,0,0|1,0,0]=4 54289 B12R2.1286 FC1CCCN(C1)CC2CC2 34a_100000697950_100000742324 [0,1,0,2,0,0|1,0,0]=4 54290 B12R2.1286 OC1CCCN(C1)CC2CC2 2230a_100000211013_100000742324 [0,1,0,2,0,0|1,0,0]=4 54291 B12R2.1286 OC1CCCN(C1)CC2CC2 269982a_100000211013_100000756562 [0,1,0,2,0,0|1,0,0]=4 54292 B12R2.1515 CCCNC1CCCC2C1C2 269862a_100020643023_100000697651 [0,1,0,2,0,0|1,0,0]=4 54293 B12R2.2313 C[C@H]1CCCN(C1)C2CCC2 269982a_100000717927_100000749161 [0,1,0,2,0,0|1,0,0]=4 54294 B12R2.2313 C[C@H]1CCCN(C1)C2CCC2 270004a_100000717927_100000241760 [0,1,0,2,0,0|1,0,0]=4 54295 B12R2.2313 C[C@H]1CCCN(C1)C2CCC2 34a_100000717927_100000749161 [0,1,0,2,0,0|1,0,0]=4 54296 B12R2.2313 FC1CCCN(C1)C2CCC2 269982a_100000697950_100000749161 [0,1,0,2,0,0|1,0,0]=4 54297 B12R2.2313 FC1CCCN(C1)C2CCC2 270004a_100000697950_100000241760 [0,1,0,2,0,0|1,0,0]=4 54298 B12R2.2313 FC1CCCN(C1)C2CCC2 34a_100000697950_100000749161 [0,1,0,2,0,0|1,0,0]=4 54299 B12R2.2313 OC1CCCN(C1)C2CCC2 269982a_100000211013_100000749161 [0,1,0,2,0,0|1,0,0]=4 54300 B12R2.2313 OC1CCCN(C1)C2CCC2 270004a_100000211013_100000241760 [0,1,0,2,0,0|1,0,0]=4 54301 B12R2.39 CCCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000210303 [0,1,0,2,0,0|1,0,0]=4 54302 B12R2.39 CCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000210303 [0,1,0,2,0,0|1,0,0]=4 54303 B12R2.39 CCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000210303 [0,1,0,2,0,0|1,0,0]=4 54304 B12R2.136 FC1CC(C1)NC2CCCC2 2230a_100016993743_100000179811 [0,1,0,2,0,0|1,0,0]=4 54305 B12R2.136 FC1CC(C1)NC2CCCC2 270004a_100016993743_100000210133 [0,1,0,2,0,0|1,0,0]=4 54306 B12R2.136 O[C@H]1C[C@@H](C1)NC2CCCC2 2230a_100020629032_100000179811 [0,1,0,2,0,0|1,0,0]=4 54307 B12R2.136 O[C@H]1C[C@@H](C1)NC2CCCC2 270004a_100020629032_100000210133 [0,1,0,2,0,0|1,0,0]=4 54308 B12R2.1423 CC(NC1CCCC1)C2CC2 2230a_100000700016_100000179811 [0,1,0,2,0,0|1,0,0]=4 54309 B12R2.1423 CC(NC1CCCC1)C2CC2 269862a_100000211070_100000210639 [0,1,0,2,0,0|1,0,0]=4 54310 B12R2.1423 CC(NC1CCCC1)C2CC2 270004a_100000700016_100000210133 [0,1,0,2,0,0|1,0,0]=4 54311 B12R2.1423 CC(NC1CCCC1)C2CC2 34a_100000700016_100000179811 [0,1,0,2,0,0|1,0,0]=4 54312 B12R2.1423 CC(OC1CCCC1)C2CC2 34a_100000744524_100000179811 [0,1,0,2,0,0|0,0,0]=3 54313 B12R2.1423 CC(OC1CCCC1)C2CC2 7a_100000744524_100000179811 [0,1,0,2,0,0|0,0,0]=3 54314 B12R2.1423 CC(OC1CCOC1)C2CC2 34a_100000744524_100000690089 [0,1,0,2,0,0|1,0,0]=4 54315 B12R2.1423 CC(OC1CCOC1)C2CC2 7a_100000744524_100000731011 [0,1,0,2,0,0|1,0,0]=4 54316 B12R2.2358 CC1(CCC1)CN2CCCC2 2230a_100000188435_100000726658 [0,1,0,2,0,0|1,0,0]=4 54317 B12R2.2358 CC1(CCC1)CN2CCCC2 269982a_100000188435_100000726658 [0,1,0,2,0,0|1,0,0]=4 54318 B12R2.2358 CC1(CCC1)NC2CCCC2 2230a_100000692455_100000179811 [0,1,0,2,0,0|1,0,0]=4 54319 B12R2.2358 CC1(CCC1)NC2CCCC2 270004a_100000692455_100000210133 [0,1,0,2,0,0|1,0,0]=4 54320 B12R2.2358 CC1(CCC1)NC2CCCC2 34a_100000692455_100000179811 [0,1,0,2,0,0|1,0,0]=4 54321 B12R2.2358 CC1(CCC1)OC2CCCC2 34a_100000759064_100000179811 [0,1,0,2,0,0|0,0,0]=3 54322 B12R2.2358 CC1(CCC1)OC2CCCC2 7a_100000759064_100000179811 [0,1,0,2,0,0|0,0,0]=3 54323 B12R2.2358 CC1(CCC1)OC2CCOC2 34a_100000759064_100000690089 [0,1,0,2,0,0|1,0,0]=4 54324 B12R2.2358 CC1(CCC1)OC2CCOC2 7a_100000759064_100000731011 [0,1,0,2,0,0|1,0,0]=4 54325 B12R2.2358 CC1(CSC1)OC2CCCC2 7a_100016018533_100000179811 [0,1,0,2,0,0|1,0,0]=4 54326 B12R2.667 C=C1CC(C1)COCC2CC2 34a_100011011225_100000742324 [0,1,0,2,0,0|0,0,1]=4 54327 B12R2.667 ClC1CC(C1)COCC2CC2 34a_100009874164_100000742324 [0,1,0,2,0,0|0,0,0]=3 54328 B12R2.667 ClC1CC(C1)COCC2CO2 34a_100009874164_102125554688 [0,1,0,2,0,0|1,0,0]=4 54329 B12R2.667 FC1CC(C1)NCCC2CC2 2230a_100016993743_100000694398 [0,1,0,2,0,0|1,0,0]=4 54330 B12R2.667 O=C1CC(C1)COCC2CC2 34a_100000101936_100000742324 [0,1,0,2,0,0|0,0,1]=4 54331 B12R2.667 OC1CC(C1)CNCC2CC2 2230a_100016992100_100000742324 [0,1,0,2,0,0|1,0,0]=4 54332 B12R2.667 OC1CC(C1)CNCC2CC2 269862a_100016992100_100000741477 [0,1,0,2,0,0|1,0,0]=4 54333 B12R2.667 O[C@H]1C[C@@H](C1)NCCC2CC2 2230a_100020629032_100000694398 [0,1,0,2,0,0|1,0,0]=4 54334 B12R2.1269 C=C1CC(C1)COC2CCC2 34a_100011011225_100000749161 [0,1,0,2,0,0|0,0,1]=4 54335 B12R2.1269 ClC1CC(C1)COC2CCC2 34a_100009874164_100000749161 [0,1,0,2,0,0|0,0,0]=3 54336 B12R2.1269 ClC1CC(C1)COC2COC2 34a_100009874164_100009818527 [0,1,0,2,0,0|1,0,0]=4 54337 B12R2.1269 FC1CC(C1)NCC2CCC2 2230a_100016993743_100000763275 [0,1,0,2,0,0|1,0,0]=4 54338 B12R2.1269 O=C1CC(C1)COC2CCC2 34a_100000101936_100000749161 [0,1,0,2,0,0|0,0,1]=4 54339 B12R2.1269 OC1CC(C1)CNC2CCC2 270004a_100016992100_100000241760 [0,1,0,2,0,0|1,0,0]=4 54340 B12R2.1269 O[C@H]1C[C@@H](C1)NCC2CCC2 2230a_100020629032_100000763275 [0,1,0,2,0,0|1,0,0]=4 54341 B12R2.1269 O[C@H]1C[C@@H](C1)NCC2CCC2 269862a_100020629032_100000753134 [0,1,0,2,0,0|1,0,0]=4 54342 B12R2.2018 C1CCCN(CCC1)C2CC2 269982a_100000211400_100000211595 [0,1,0,2,0,0|1,0,0]=4 54343 B12R2.2018 C1CCCN(CCC1)C2CC2 34a_100000211400_100000211595 [0,1,0,2,0,0|1,0,0]=4 54344 B12R2.4960 CNCC12CCCC1CCC2 2230a_100159271432_200000210301 [0,1,0,2,0,0|1,0,0]=4 54345 B12R2.4960 CNCC12CCCC1CCC2 34a_100159271432_200000210301 [0,1,0,2,0,0|1,0,0]=4 54346 B12R2.4960 [13CH3]NCC12CCCC1CCC2 2230a_100159271432_200025704644 [0,1,0,2,0,0|1,0,0]=4 54347 B12R2.4960 [13CH3]NCC12CCCC1CCC2 34a_100159271432_200025704644 [0,1,0,2,0,0|1,0,0]=4 54348 B12R2.44 CCN1CCN2CCC[C@@H]2C1 2230a_100000008389_100000210202 [0,1,0,2,0,0|1,0,0]=4 54349 B12R2.44 CCN1CCN2CCC[C@@H]2C1 269982a_100000008389_100000204670 [0,1,0,2,0,0|1,0,0]=4 54350 B12R2.44 CCN1CCN2CCC[C@@H]2C1 34a_100000008389_100000210202 [0,1,0,2,0,0|1,0,0]=4 54351 B12R2.44 COC1CCC2CCCC2C1 34a_100000073670_200000210301 [0,1,0,2,0,0|1,0,0]=4 54352 B12R2.44 COC1CCC2CCCC2C1 7a_100000073670_200000210301 [0,1,0,2,0,0|1,0,0]=4 54353 B12R2.44 [13CH3]OC1CCC2CCCC2C1 34a_100000073670_200025704644 [0,1,0,2,0,0|1,0,0]=4 54354 B12R2.44 [13CH3]OC1CCC2CCCC2C1 7a_100000073670_200025704644 [0,1,0,2,0,0|1,0,0]=4 54355 B12R2.110 CC1CCN1[C@@H]2CCC[C@H]2O 269982a_100000755817_200016002552 [0,1,0,2,0,0|1,0,0]=4 54356 B12R2.466 CC1CCCC1OCC2CC2 34a_100011216460_100000742324 [0,1,0,2,0,0|0,0,0]=3 54357 B12R2.466 CC1CCCC1OCC2CC2 7a_100011216460_100000742324 [0,1,0,2,0,0|0,0,0]=3 54358 B12R2.466 CC1CCCC1OCC2CO2 34a_100011216460_102125554688 [0,1,0,2,0,0|1,0,0]=4 54359 B12R2.466 CC1CCCC1OCC2CO2 7a_100011216460_102125554688 [0,1,0,2,0,0|1,0,0]=4 54360 B12R2.466 CC1CCCC1OCC2CS2 7a_100011216460_100000031435 [0,1,0,2,0,0|1,0,0]=4 54361 B12R2.466 CC1CCCC1OC[C@@H]2CO2 7a_100011216460_100000745022 [0,1,0,2,0,0|1,0,0]=4 54362 B12R2.466 CC1OCCC1NCC2CC2 270004a_100000735609_100000691750 [0,1,0,2,0,0|1,0,0]=4 54363 B12R2.466 CC1SCCN1CCC2CC2 2230a_200011216479_100000694398 [0,1,0,2,0,0|1,0,0]=4 54364 B12R2.466 CC1SCCN1CCC2CC2 269982a_200011216479_100000694398 [0,1,0,2,0,0|1,0,0]=4 54365 B12R2.466 CC1SCCN1CCC2CC2 34a_200011216479_100000694398 [0,1,0,2,0,0|1,0,0]=4 54366 B12R2.466 C[C@@H]1CCCN1CCC2CC2 2230a_100015189458_100000694398 [0,1,0,2,0,0|1,0,0]=4 54367 B12R2.466 C[C@@H]1CCCN1CCC2CC2 269982a_100015189458_100000694398 [0,1,0,2,0,0|1,0,0]=4 54368 B12R2.466 C[C@@H]1CCCN1CCC2CC2 34a_100015189458_100000694398 [0,1,0,2,0,0|1,0,0]=4 54369 B12R2.466 C[C@@H]1CCCN1CCC2CO2 2230a_100015189458_100000732470 [0,1,0,2,0,0|1,0,0]=4 54370 B12R2.466 C[C@@H]1CCCN1CCC2CO2 269982a_100015189458_100000732470 [0,1,0,2,0,0|1,0,0]=4 54371 B12R2.466 C[C@@H]1CCCN1CCC2CO2 34a_100015189458_100000732470 [0,1,0,2,0,0|1,0,0]=4 54372 B12R2.466 C[C@@H]1CNC[C@@H]1OCC2CC2 34a_200015306588_100000742324 [0,1,0,2,0,0|0,0,0]=3 54373 B12R2.466 C[C@@H]1CNC[C@@H]1OCC2CO2 34a_200015306588_102125554688 [0,1,0,2,0,0|1,0,0]=4 54374 B12R2.466 C[C@H]1CCCN1CCC2CC2 2230a_100020605311_100000694398 [0,1,0,2,0,0|1,0,0]=4 54375 B12R2.466 C[C@H]1CCCN1CCC2CC2 269982a_100020605311_100000694398 [0,1,0,2,0,0|1,0,0]=4 54376 B12R2.466 C[C@H]1CCCN1CCC2CO2 2230a_100020605311_100000732470 [0,1,0,2,0,0|1,0,0]=4 54377 B12R2.466 C[C@H]1CCCN1CCC2CO2 269982a_100020605311_100000732470 [0,1,0,2,0,0|1,0,0]=4 54378 B12R2.466 Cl[C@@H]1CCC[C@H]1OCC2CC2 34a_200016002552_100000742324 [0,1,0,2,0,0|0,0,0]=3 54379 B12R2.466 Cl[C@@H]1CCC[C@H]1OCC2CO2 34a_200016002552_102125554688 [0,1,0,2,0,0|1,0,0]=4 54380 B12R2.466 N[C@H]1CCC[C@@H]1OCC2CC2 34a_100000748460_100000742324 [0,1,0,2,0,0|0,0,0]=3 54381 B12R2.466 N[C@H]1CCC[C@@H]1OCC2CO2 34a_100000748460_102125554688 [0,1,0,2,0,0|1,0,0]=4 54382 B12R2.466 N[C@H]1COC[C@@H]1OCC2CC2 34a_100015191717_100000742324 [0,1,0,2,0,0|1,0,0]=4 54383 B12R2.466 O=C1CCCC1OCC2CC2 34a_100000211283_100000709159 [0,1,0,2,0,0|0,0,1]=4 54384 B12R2.466 O=C1CCCC1OCC2CC2 34a_200000719330_100000742324 [0,1,0,2,0,0|0,0,1]=4 54385 B12R2.466 OC1COCC1OCC2CC2 34a_100000211283_200000725654 [0,1,0,2,0,0|1,0,0]=4 54386 B12R2.466 O[C@@H]1CCC[C@H]1SCC2CC2 62a_100000756562_200016002552 [0,1,0,2,0,0|0,1,0]=4 54387 B12R2.466 O[C@@H]1CCC[C@H]1SCC2CC2 62a_200016002552_100000742324 [0,1,0,2,0,0|0,1,0]=4 54388 B12R2.466 O[C@H]1CCC[C@@H]1NCC2CC2 269862a_100000748460_100000741477 [0,1,0,2,0,0|1,0,0]=4 54389 B12R2.1114 CC1CCCC1NC2CCC2 269862a_100000749019_100000752053 [0,1,0,2,0,0|1,0,0]=4 54390 B12R2.1114 CC1CCCC1OC2CCC2 34a_100011216460_100000749161 [0,1,0,2,0,0|0,0,0]=3 54391 B12R2.1114 CC1CCCC1OC2COC2 34a_100011216460_100009818527 [0,1,0,2,0,0|1,0,0]=4 54392 B12R2.1114 CC1CCCC1OC2COC2 7a_100011216460_100009818527 [0,1,0,2,0,0|1,0,0]=4 54393 B12R2.1114 CC1SCCN1CC2CCC2 2230a_200011216479_100000763275 [0,1,0,2,0,0|1,0,0]=4 54394 B12R2.1114 CC1SCCN1CC2CCC2 269982a_200011216479_100000763275 [0,1,0,2,0,0|1,0,0]=4 54395 B12R2.1114 CC1SCCN1CC2CCC2 34a_200011216479_100000763275 [0,1,0,2,0,0|1,0,0]=4 54396 B12R2.1114 C[C@@H]1CCCN1CC2CCC2 2230a_100015189458_100000763275 [0,1,0,2,0,0|1,0,0]=4 54397 B12R2.1114 C[C@@H]1CCCN1CC2CCC2 269982a_100015189458_100000763275 [0,1,0,2,0,0|1,0,0]=4 54398 B12R2.1114 C[C@@H]1CCCN1CC2CCC2 34a_100015189458_100000763275 [0,1,0,2,0,0|1,0,0]=4 54399 B12R2.1114 C[C@@H]1CCCN1CC2CCO2 2230a_100015189458_100000103362 [0,1,0,2,0,0|1,0,0]=4 54400 B12R2.1114 C[C@@H]1CCCN1CC2CCO2 269982a_100015189458_100000103362 [0,1,0,2,0,0|1,0,0]=4 54401 B12R2.1114 C[C@@H]1CCCN1CC2CCO2 34a_100015189458_100000103362 [0,1,0,2,0,0|1,0,0]=4 54402 B12R2.1114 C[C@@H]1CCCN1CC2COC2 2230a_100015189458_100010264016 [0,1,0,2,0,0|1,0,0]=4 54403 B12R2.1114 C[C@@H]1CCCN1CC2COC2 269982a_100015189458_100010264016 [0,1,0,2,0,0|1,0,0]=4 54404 B12R2.1114 C[C@@H]1CCCN1CC2COC2 34a_100015189458_100010264016 [0,1,0,2,0,0|1,0,0]=4 54405 B12R2.1114 C[C@@H]1CNC[C@@H]1OC2CCC2 34a_200015306588_100000749161 [0,1,0,2,0,0|0,0,0]=3 54406 B12R2.1114 C[C@@H]1CNC[C@@H]1OC2COC2 34a_200015306588_100009818527 [0,1,0,2,0,0|1,0,0]=4 54407 B12R2.1114 C[C@H]1CCCN1CC2CCC2 2230a_100020605311_100000763275 [0,1,0,2,0,0|1,0,0]=4 54408 B12R2.1114 C[C@H]1CCCN1CC2CCC2 269982a_100020605311_100000763275 [0,1,0,2,0,0|1,0,0]=4 54409 B12R2.1114 C[C@H]1CCCN1CC2CCO2 2230a_100020605311_100000103362 [0,1,0,2,0,0|1,0,0]=4 54410 B12R2.1114 C[C@H]1CCCN1CC2CCO2 269982a_100020605311_100000103362 [0,1,0,2,0,0|1,0,0]=4 54411 B12R2.1114 C[C@H]1CCCN1CC2COC2 2230a_100020605311_100010264016 [0,1,0,2,0,0|1,0,0]=4 54412 B12R2.1114 C[C@H]1CCCN1CC2COC2 269982a_100020605311_100010264016 [0,1,0,2,0,0|1,0,0]=4 54413 B12R2.1114 Cl[C@@H]1CCC[C@H]1OC2CCC2 34a_200016002552_100000749161 [0,1,0,2,0,0|0,0,0]=3 54414 B12R2.1114 Cl[C@@H]1CCC[C@H]1OC2COC2 34a_200016002552_100009818527 [0,1,0,2,0,0|1,0,0]=4 54415 B12R2.1114 N[C@H]1CCC[C@@H]1OC2CCC2 34a_100000748460_100000749161 [0,1,0,2,0,0|0,0,0]=3 54416 B12R2.1114 N[C@H]1CCC[C@@H]1OC2COC2 34a_100000748460_100009818527 [0,1,0,2,0,0|1,0,0]=4 54417 B12R2.1114 N[C@H]1COC[C@@H]1OC2CCC2 34a_100015191717_100000749161 [0,1,0,2,0,0|1,0,0]=4 54418 B12R2.1114 O=C1CCCC1OC2CCC2 34a_100000748187_100000709159 [0,1,0,2,0,0|0,0,1]=4 54419 B12R2.1114 O=C1CCCC1OC2CCC2 34a_200000719330_100000749161 [0,1,0,2,0,0|0,0,1]=4 54420 B12R2.1114 OC1COCC1OC2CCC2 34a_100000748187_200000725654 [0,1,0,2,0,0|1,0,0]=4 54421 B12R2.1114 O[C@@H]1CCC[C@H]1SC2CCC2 62a_200016002552_100000749161 [0,1,0,2,0,0|0,1,0]=4 54422 B12R2.1114 O[C@H]1CCC[C@@H]1NC2CCC2 270004a_100000748460_100000241760 [0,1,0,2,0,0|1,0,0]=4 54423 B12R2.1974 CCCCNC1CCC2C1C2 269862a_100000102301_100000692480 [0,1,0,2,0,0|1,0,0]=4 54424 B12R2.1974 CCCCNC1CCC2C1C2 270004a_100000102301_100000692480 [0,1,0,2,0,0|1,0,0]=4 54425 B12R2.1974 CCCCOC1CCC2C1C2 34a_200012295571_100000210210 [0,1,0,2,0,0|0,0,0]=3 54426 B12R2.1974 COCCOC1CCC2C1C2 34a_200012295571_100011201679 [0,1,0,2,0,0|1,0,0]=4 54427 B12R2.1974 CSCCOC1CCC2C1C2 34a_200012295571_100000212216 [0,1,0,2,0,0|1,0,0]=4 54428 B12R2.1974 FCCCOC1CCC2C1C2 34a_200012295571_100011934791 [0,1,0,2,0,0|1,0,0]=4 54429 B12R2.1974 OCCCOC1CCC2C1C2 34a_200012295571_100000230001 [0,1,0,2,0,0|1,0,0]=4 54430 B12R2.4446 CNC1CCOC2(C1)CCC2 2230a_100000690363_200000210301 [0,1,0,2,0,0|1,0,0]=4 54431 B12R2.4446 [13CH3]NC1CCOC2(C1)CCC2 2230a_100000690363_200025704644 [0,1,0,2,0,0|1,0,0]=4 54432 B12R2.1528 CCCCN1CC2(C1)CCC2 2230a_100000690493_100000210211 [0,1,0,2,0,0|1,0,0]=4 54433 B12R2.1528 CCCCN1CC2(C1)CCC2 269982a_100000690493_100000210211 [0,1,0,2,0,0|1,0,0]=4 54434 B12R2.1528 CCCCN1CC2(C1)CCC2 34a_100000690493_100000210210 [0,1,0,2,0,0|1,0,0]=4 54435 B12R2.4795 CC(NCC1CCC1)C2CC2 2230a_100000700016_100000763275 [0,1,0,2,0,0|1,0,0]=4 54436 B12R2.4795 CC(NCC1CCC1)C2CC2 269862a_100000700016_100000753134 [0,1,0,2,0,0|1,0,0]=4 54437 B12R2.4795 CC(NCC1CCC1)C2CC2 269862a_100000738700_100000210639 [0,1,0,2,0,0|1,0,0]=4 54438 B12R2.4795 CC(NCC1CCC1)C2CC2 34a_100000700016_100000763275 [0,1,0,2,0,0|1,0,0]=4 54439 B12R2.4795 CC(OCC1CCC1)C2CC2 34a_100000744524_100000763275 [0,1,0,2,0,0|0,0,0]=3 54440 B12R2.4795 CC(OCC1CCC1)C2CC2 7a_100000744524_100000763275 [0,1,0,2,0,0|0,0,0]=3 54441 B12R2.4795 CC(OCC1CCO1)C2CC2 34a_100000744524_100000103362 [0,1,0,2,0,0|1,0,0]=4 54442 B12R2.4795 CC(OCC1CCO1)C2CC2 7a_100000744524_100000103362 [0,1,0,2,0,0|1,0,0]=4 54443 B12R2.4795 CC(OCC1COC1)C2CC2 34a_100000744524_100010264016 [0,1,0,2,0,0|1,0,0]=4 54444 B12R2.4795 CC(OCC1COC1)C2CC2 7a_100000744524_100010264016 [0,1,0,2,0,0|1,0,0]=4 54445 B12R2.4795 N[C@@H](COC1CCC1)C2CC2 34a_100020623730_100000749161 [0,1,0,2,0,0|0,0,0]=3 54446 B12R2.4795 N[C@@H](COC1COC1)C2CC2 34a_100020623730_100009818527 [0,1,0,2,0,0|1,0,0]=4 54447 B12R2.4795 O=C(COC1CCC1)C2CC2 34a_100000686663_100000749161 [0,1,0,2,0,0|0,0,1]=4 54448 B12R2.4795 O=C(COC1CCC1)C2CC2 34a_100000748187_100000746382 [0,1,0,2,0,0|0,0,1]=4 54449 B12R2.4795 OC(CNC1CCC1)C2CC2 270004a_100000751198_100000241760 [0,1,0,2,0,0|1,0,0]=4 54450 B12R2.4795 OC(CNC1CCC1)C2CC2 34a_100000751198_100000749161 [0,1,0,2,0,0|1,0,0]=4 54451 B12R2.5582 CC1(CCC1)CNC2CCC2 2230a_100000749019_100000726658 [0,1,0,2,0,0|1,0,0]=4 54452 B12R2.5582 CC1(CCC1)CNC2CCC2 270004a_100000706607_100000241760 [0,1,0,2,0,0|1,0,0]=4 54453 B12R2.5582 CC1(CCC1)CNC2CCC2 34a_100000749019_100000726658 [0,1,0,2,0,0|1,0,0]=4 54454 B12R2.5582 CC1(CCC1)COC2CCC2 34a_100000748187_100000726658 [0,1,0,2,0,0|0,0,0]=3 54455 B12R2.5582 CC1(CCC1)COC2CSC2 7a_100000072292_100000726658 [0,1,0,2,0,0|1,0,0]=4 54456 B12R2.5582 CC1(CCC1)CSC2CCC2 62a_100000726658_100000749161 [0,1,0,2,0,0|0,1,0]=4 54457 B12R2.5582 CC1(CCC1)NCC2CCC2 2230a_100000692455_100000763275 [0,1,0,2,0,0|1,0,0]=4 54458 B12R2.5582 CC1(CCC1)NCC2CCC2 34a_100000692455_100000763275 [0,1,0,2,0,0|1,0,0]=4 54459 B12R2.5582 CC1(CCC1)OCC2CCC2 34a_100000759064_100000763275 [0,1,0,2,0,0|0,0,0]=3 54460 B12R2.5582 CC1(CCC1)OCC2CCC2 7a_100000759064_100000763275 [0,1,0,2,0,0|0,0,0]=3 54461 B12R2.5582 CC1(CCC1)OCC2CCO2 34a_100000759064_100000103362 [0,1,0,2,0,0|1,0,0]=4 54462 B12R2.5582 CC1(CCC1)OCC2CCO2 7a_100000759064_100000103362 [0,1,0,2,0,0|1,0,0]=4 54463 B12R2.5582 CC1(CCC1)OCC2COC2 34a_100000759064_100010264016 [0,1,0,2,0,0|1,0,0]=4 54464 B12R2.5582 CC1(CCC1)OCC2COC2 7a_100000759064_100010264016 [0,1,0,2,0,0|1,0,0]=4 54465 B12R2.5582 CC1(COC1)COC2CCC2 34a_100000748187_100009817586 [0,1,0,2,0,0|1,0,0]=4 54466 B12R2.5582 CC1(CSC1)COC2CCC2 34a_100000732658_100000749161 [0,1,0,2,0,0|1,0,0]=4 54467 B12R2.5582 CC1(CSC1)OCC2CCC2 7a_100016018533_100000763275 [0,1,0,2,0,0|1,0,0]=4 54468 B12R2.5582 OC1(CCC1)CNC2CCC2 270004a_100000752638_100000241760 [0,1,0,2,0,0|1,0,0]=4 54469 B12R2.4794 CC(NCCC1CC1)C2CC2 2230a_100000700016_100000694398 [0,1,0,2,0,0|1,0,0]=4 54470 B12R2.4794 CC(NCCC1CC1)C2CC2 269862a_100000764129_100000210639 [0,1,0,2,0,0|1,0,0]=4 54471 B12R2.4794 CC(NCCC1CC1)C2CC2 34a_100000700016_100000694398 [0,1,0,2,0,0|1,0,0]=4 54472 B12R2.4794 CC(OCCC1CC1)C2CC2 34a_100000744524_100000694398 [0,1,0,2,0,0|0,0,0]=3 54473 B12R2.4794 CC(OCCC1CC1)C2CC2 7a_100000744524_100000764125 [0,1,0,2,0,0|0,0,0]=3 54474 B12R2.4794 CC(OCCC1CO1)C2CC2 34a_100000744524_100000732470 [0,1,0,2,0,0|1,0,0]=4 54475 B12R2.4794 CC(OCCC1CO1)C2CC2 7a_100000744524_100000732470 [0,1,0,2,0,0|1,0,0]=4 54476 B12R2.4794 N[C@@H](COCC1CC1)C2CC2 34a_100020623730_100000742324 [0,1,0,2,0,0|0,0,0]=3 54477 B12R2.4794 N[C@@H](COCC1CO1)C2CC2 34a_100020623730_102125554688 [0,1,0,2,0,0|1,0,0]=4 54478 B12R2.4794 O=C(COCC1CC1)C2CC2 34a_100000211283_100000746382 [0,1,0,2,0,0|0,0,1]=4 54479 B12R2.4794 O=C(COCC1CC1)C2CC2 34a_100000686663_100000742324 [0,1,0,2,0,0|0,0,1]=4 54480 B12R2.4794 OC(CNCC1CC1)C2CC2 2230a_100000751198_100000742324 [0,1,0,2,0,0|1,0,0]=4 54481 B12R2.4794 OC(CNCC1CC1)C2CC2 34a_100000751198_100000742324 [0,1,0,2,0,0|1,0,0]=4 54482 B12R2.5216 CC1(CCC1)CNCC2CC2 2230a_100000706607_100000742324 [0,1,0,2,0,0|1,0,0]=4 54483 B12R2.5216 CC1(CCC1)CNCC2CC2 2230a_100000735609_100000726658 [0,1,0,2,0,0|1,0,0]=4 54484 B12R2.5216 CC1(CCC1)CNCC2CC2 269862a_100000706607_100000741477 [0,1,0,2,0,0|1,0,0]=4 54485 B12R2.5216 CC1(CCC1)CNCC2CC2 34a_100000735609_100000726658 [0,1,0,2,0,0|1,0,0]=4 54486 B12R2.5216 CC1(CCC1)COCC2CC2 34a_100000211283_100000726658 [0,1,0,2,0,0|0,0,0]=3 54487 B12R2.5216 CC1(CCC1)COC[C@@H]2CO2 34a_100000757423_100000726658 [0,1,0,2,0,0|1,0,0]=4 54488 B12R2.5216 CC1(CCC1)CSCC2CC2 62a_100000726658_100000742324 [0,1,0,2,0,0|0,1,0]=4 54489 B12R2.5216 CC1(CCC1)CSCC2CC2 62a_100000756562_100000726658 [0,1,0,2,0,0|0,1,0]=4 54490 B12R2.5216 CC1(CCC1)NCCC2CC2 2230a_100000692455_100000694398 [0,1,0,2,0,0|1,0,0]=4 54491 B12R2.5216 CC1(CCC1)NCCC2CC2 34a_100000692455_100000694398 [0,1,0,2,0,0|1,0,0]=4 54492 B12R2.5216 CC1(CCC1)OCCC2CC2 34a_100000759064_100000694398 [0,1,0,2,0,0|0,0,0]=3 54493 B12R2.5216 CC1(CCC1)OCCC2CC2 7a_100000759064_100000764125 [0,1,0,2,0,0|0,0,0]=3 54494 B12R2.5216 CC1(CCC1)OCCC2CO2 34a_100000759064_100000732470 [0,1,0,2,0,0|1,0,0]=4 54495 B12R2.5216 CC1(CCC1)OCCC2CO2 7a_100000759064_100000732470 [0,1,0,2,0,0|1,0,0]=4 54496 B12R2.5216 CC1(COC1)COCC2CC2 34a_100000211283_100009817586 [0,1,0,2,0,0|1,0,0]=4 54497 B12R2.5216 CC1(CSC1)COCC2CC2 34a_100000732658_100000742324 [0,1,0,2,0,0|1,0,0]=4 54498 B12R2.5216 CC1(CSC1)COCC2CC2 7a_100000732658_100000742324 [0,1,0,2,0,0|1,0,0]=4 54499 B12R2.5216 CC1(CSC1)OCCC2CC2 7a_100016018533_100000764125 [0,1,0,2,0,0|1,0,0]=4 54500 B12R2.5216 OC1(CCC1)CNCC2CC2 2230a_100000752638_100000742324 [0,1,0,2,0,0|1,0,0]=4 54501 B12R2.5216 OC1(CCC1)CNCC2CC2 269862a_100000752638_100000741477 [0,1,0,2,0,0|1,0,0]=4 54502 B12R2.545 CC1CCN1CC2(CCC2)C 269982a_100000755817_100000726658 [0,1,0,2,0,0|1,0,0]=4 54503 B12R2.545 CC1CCN1CC2(CCC2)C 34a_100000755817_100000726658 [0,1,0,2,0,0|1,0,0]=4 54504 B12R2.6 CC1CCC(C1)N2CCCC2 270004a_100000188435_100011215218 [0,1,0,2,0,0|1,0,0]=4 54505 B12R2.6 C[C@@H]1CCN(C1)C2CCCC2 2230a_100016987628_100000179811 [0,1,0,2,0,0|1,0,0]=4 54506 B12R2.6 C[C@@H]1CCN(C1)C2CCCC2 269982a_100016987628_100000179811 [0,1,0,2,0,0|1,0,0]=4 54507 B12R2.6 C[C@@H]1CCN(C1)C2CCCC2 270004a_100016987628_100000210133 [0,1,0,2,0,0|1,0,0]=4 54508 B12R2.6 C[C@@H]1CCN(C1)C2CCCC2 34a_100016987628_100000179811 [0,1,0,2,0,0|1,0,0]=4 54509 B12R2.6 F[C@H]1CCN(C1)C2CCCC2 2230a_100015203821_100000179811 [0,1,0,2,0,0|1,0,0]=4 54510 B12R2.6 F[C@H]1CCN(C1)C2CCCC2 269982a_100015203821_100000179811 [0,1,0,2,0,0|1,0,0]=4 54511 B12R2.6 F[C@H]1CCN(C1)C2CCCC2 270004a_100015203821_100000210133 [0,1,0,2,0,0|1,0,0]=4 54512 B12R2.6 F[C@H]1CCN(C1)C2CCCC2 34a_100015203821_100000179811 [0,1,0,2,0,0|1,0,0]=4 54513 B12R2.6 OC1CCC(C1)N2CCCC2 270004a_100000188435_100012614533 [0,1,0,2,0,0|1,0,0]=4 54514 B12R2.6 OC1CCN(C1)C2CCCC2 2230a_100011215560_100000179811 [0,1,0,2,0,0|1,0,0]=4 54515 B12R2.6 OC1CCN(C1)C2CCCC2 269982a_100011215560_100000179811 [0,1,0,2,0,0|1,0,0]=4 54516 B12R2.6 OC1CCN(C1)C2CCCC2 270004a_100011215560_100000210133 [0,1,0,2,0,0|1,0,0]=4 54517 B12R2.2110 CCCCCN1CC2CC2C1 2230a_100000741873_100000210326 [0,1,0,2,0,0|1,0,0]=4 54518 B12R2.2110 CCCCCN1CC2CC2C1 269982a_100000741873_100000210215 [0,1,0,2,0,0|1,0,0]=4 54519 B12R2.2110 CCCCCN1CC2CC2C1 34a_100000741873_100000718602 [0,1,0,2,0,0|1,0,0]=4 54520 B12R2.2110 CCCCNC1CC2CC2C1 270004a_100000102301_100010340937 [0,1,0,2,0,0|1,0,0]=4 54521 B12R2.2110 CCOCCN1CC2CC2C1 2230a_100000741873_100011215890 [0,1,0,2,0,0|1,0,0]=4 54522 B12R2.2110 CCOCCN1CC2CC2C1 269982a_100000741873_100011215890 [0,1,0,2,0,0|1,0,0]=4 54523 B12R2.2110 CCOCCN1CC2CC2C1 34a_100000741873_100000210147 [0,1,0,2,0,0|1,0,0]=4 54524 B12R2.2110 CCSCCN1CC2CC2C1 2230a_100000741873_100000757381 [0,1,0,2,0,0|1,0,0]=4 54525 B12R2.2110 CCSCCN1CC2CC2C1 269982a_100000741873_100000757381 [0,1,0,2,0,0|1,0,0]=4 54526 B12R2.2110 CCSCCN1CC2CC2C1 34a_100000741873_100000757381 [0,1,0,2,0,0|1,0,0]=4 54527 B12R2.2110 COCCCN1CC2CC2C1 2230a_100000741873_100000740836 [0,1,0,2,0,0|1,0,0]=4 54528 B12R2.2110 COCCCN1CC2CC2C1 269982a_100000741873_100000740836 [0,1,0,2,0,0|1,0,0]=4 54529 B12R2.2110 COCCCN1CC2CC2C1 34a_100000741873_100000740836 [0,1,0,2,0,0|1,0,0]=4 54530 B12R2.2110 FCCCCN1CC2CC2C1 2230a_100000741873_100000729493 [0,1,0,2,0,0|1,0,0]=4 54531 B12R2.2110 FCCCCN1CC2CC2C1 269982a_100000741873_100000729493 [0,1,0,2,0,0|1,0,0]=4 54532 B12R2.2110 FCCCCN1CC2CC2C1 34a_100000741873_100000729493 [0,1,0,2,0,0|1,0,0]=4 54533 B12R2.2110 OCCCCN1CC2CC2C1 2230a_100000741873_100000210776 [0,1,0,2,0,0|1,0,0]=4 54534 B12R2.2110 OCCCCN1CC2CC2C1 269982a_100000741873_100000210776 [0,1,0,2,0,0|1,0,0]=4 54535 B12R2.2110 OCCCCN1CC2CC2C1 34a_100000741873_100011216708 [0,1,0,2,0,0|1,0,0]=4 54536 B12R2.2298 CC1CCC(C1)NCC2CC2 270004a_100000735609_100011215218 [0,1,0,2,0,0|1,0,0]=4 54537 B12R2.2298 CC1CCC(C1)OCC2CC2 34a_100000698185_100000742324 [0,1,0,2,0,0|0,0,0]=3 54538 B12R2.2298 CC1CCC(C1)OCC2CO2 34a_100000698185_102125554688 [0,1,0,2,0,0|1,0,0]=4 54539 B12R2.2298 C[C@@H]1CCN(C1)CCC2CC2 2230a_100016987628_100000694398 [0,1,0,2,0,0|1,0,0]=4 54540 B12R2.2298 C[C@@H]1CCN(C1)CCC2CC2 269982a_100016987628_100000694398 [0,1,0,2,0,0|1,0,0]=4 54541 B12R2.2298 C[C@@H]1CCN(C1)CCC2CC2 34a_100016987628_100000694398 [0,1,0,2,0,0|1,0,0]=4 54542 B12R2.2298 F[C@H]1CCN(C1)CCC2CC2 2230a_100015203821_100000694398 [0,1,0,2,0,0|1,0,0]=4 54543 B12R2.2298 F[C@H]1CCN(C1)CCC2CC2 269982a_100015203821_100000694398 [0,1,0,2,0,0|1,0,0]=4 54544 B12R2.2298 F[C@H]1CCN(C1)CCC2CC2 34a_100015203821_100000694398 [0,1,0,2,0,0|1,0,0]=4 54545 B12R2.2298 O=C1CCC(C1)OCC2CC2 34a_100012614533_100000742324 [0,1,0,2,0,0|0,0,1]=4 54546 B12R2.2298 OC1CCC(C1)NCC2CC2 270004a_100000735609_100012614533 [0,1,0,2,0,0|1,0,0]=4 54547 B12R2.2298 OC1CCN(C1)CCC2CC2 2230a_100011215560_100000694398 [0,1,0,2,0,0|1,0,0]=4 54548 B12R2.2298 OC1CCN(C1)CCC2CC2 269982a_100011215560_100000694398 [0,1,0,2,0,0|1,0,0]=4 54549 B12R2.2298 O[C@@H]1CC[C@@H](C1)NCC2CC2 2230a_100015195300_100000742324 [0,1,0,2,0,0|1,0,0]=4 54550 B12R2.2298 O[C@@H]1CC[C@@H](C1)NCC2CC2 269862a_100015195300_100000741477 [0,1,0,2,0,0|1,0,0]=4 54551 B12R2.2301 CC1CCC(C1)OC2CCC2 34a_100000698185_100000749161 [0,1,0,2,0,0|0,0,0]=3 54552 B12R2.2301 CC1CCC(C1)OC2COC2 34a_100000698185_100009818527 [0,1,0,2,0,0|1,0,0]=4 54553 B12R2.2301 C[C@@H]1CCN(C1)CC2CCC2 2230a_100016987628_100000763275 [0,1,0,2,0,0|1,0,0]=4 54554 B12R2.2301 C[C@@H]1CCN(C1)CC2CCC2 269982a_100016987628_100000763275 [0,1,0,2,0,0|1,0,0]=4 54555 B12R2.2301 C[C@@H]1CCN(C1)CC2CCC2 34a_100016987628_100000763275 [0,1,0,2,0,0|1,0,0]=4 54556 B12R2.2301 F[C@H]1CCN(C1)CC2CCC2 2230a_100015203821_100000763275 [0,1,0,2,0,0|1,0,0]=4 54557 B12R2.2301 F[C@H]1CCN(C1)CC2CCC2 269982a_100015203821_100000763275 [0,1,0,2,0,0|1,0,0]=4 54558 B12R2.2301 F[C@H]1CCN(C1)CC2CCC2 34a_100015203821_100000763275 [0,1,0,2,0,0|1,0,0]=4 54559 B12R2.2301 O=C1CCC(C1)OC2CCC2 34a_100012614533_100000749161 [0,1,0,2,0,0|0,0,1]=4 54560 B12R2.2301 OC1CCN(C1)CC2CCC2 2230a_100011215560_100000763275 [0,1,0,2,0,0|1,0,0]=4 54561 B12R2.2301 OC1CCN(C1)CC2CCC2 269982a_100011215560_100000763275 [0,1,0,2,0,0|1,0,0]=4 54562 B12R2.2301 O[C@@H]1CC[C@@H](C1)NC2CCC2 270004a_100015195300_100000241760 [0,1,0,2,0,0|1,0,0]=4 54563 B12R2.244 CC1CC1COC2CCC2=O 34a_100000744939_100009892977 [0,1,0,2,0,0|0,0,1]=4 54564 B12R2.244 CC1CC1COC2CCC2=O 7a_100000744939_100009892977 [0,1,0,2,0,0|0,0,1]=4 54565 B12R2.423 CC1CC1COCCC2CC2 34a_100000744939_100000694398 [0,1,0,2,0,0|0,0,0]=3 54566 B12R2.423 CC1CC1COCCC2CC2 7a_100000744939_100000764125 [0,1,0,2,0,0|0,0,0]=3 54567 B12R2.423 CC1CC1COCCC2CO2 34a_100000744939_100000732470 [0,1,0,2,0,0|0,0,0]=3 54568 B12R2.423 CC1CC1COCCC2CO2 7a_100000744939_100000732470 [0,1,0,2,0,0|0,0,0]=3 54569 B12R2.444 CC1CC1COCC2CCC2 34a_100000744939_100000763275 [0,1,0,2,0,0|0,0,0]=3 54570 B12R2.444 CC1CC1COCC2CCC2 7a_100000744939_100000763275 [0,1,0,2,0,0|0,0,0]=3 54571 B12R2.444 CC1CC1COCC2CCO2 34a_100000744939_100000103362 [0,1,0,2,0,0|0,0,0]=3 54572 B12R2.444 CC1CC1COCC2CCO2 7a_100000744939_100000103362 [0,1,0,2,0,0|0,0,0]=3 54573 B12R2.444 CC1CC1COCC2COC2 34a_100000744939_100010264016 [0,1,0,2,0,0|0,0,0]=3 54574 B12R2.444 CC1CC1COCC2COC2 7a_100000744939_100010264016 [0,1,0,2,0,0|0,0,0]=3 54575 B12R2.1365 CC(C)N1C2CCC1COC2 2230a_100015205251_100000210206 [0,1,0,2,0,0|1,0,0]=4 54576 B12R2.1365 CC(C)N1C2CCC1COC2 269982a_100015205251_100000210206 [0,1,0,2,0,0|1,0,0]=4 54577 B12R2.1365 CC(C)N1C2CCC1COC2 34a_100015205251_100000210206 [0,1,0,2,0,0|1,0,0]=4 54578 B12R2.2048 CCC1CCCCN1C2CC2 269982a_100000210034_100000211595 [0,1,0,2,0,0|1,0,0]=4 54579 B12R2.2048 CCC1CCCCN1C2CC2 34a_100000210034_100000211595 [0,1,0,2,0,0|1,0,0]=4 54580 B12R2.2048 CC[C@H]1COCCN1C2CC2 269982a_100016988097_100000211595 [0,1,0,2,0,0|0,0,0]=3 54581 B12R2.2048 CC[C@H]1COCCN1C2CC2 34a_100016988097_100000211595 [0,1,0,2,0,0|0,0,0]=3 54582 B12R2.2048 OC[C@@H]1COCCN1C2CC2 269982a_100000717676_100000211595 [0,1,0,2,0,0|1,0,0]=4 54583 B12R2.2048 OC[C@@H]1COCCN1C2CC2 34a_100000717676_100000211595 [0,1,0,2,0,0|1,0,0]=4 54584 B12R2.324 CCC1CCCN1CC2CC2 2230a_100000754278_100000742324 [0,1,0,2,0,0|1,0,0]=4 54585 B12R2.324 CCC1CCCN1CC2CC2 269982a_100000754278_100000756562 [0,1,0,2,0,0|1,0,0]=4 54586 B12R2.324 CCC1CCCN1CC2CC2 34a_100000754278_100000742324 [0,1,0,2,0,0|1,0,0]=4 54587 B12R2.324 OC[C@H]1CCCN1CC2CC2 2230a_100000745186_100000742324 [0,1,0,2,0,0|1,0,0]=4 54588 B12R2.324 OC[C@H]1CCCN1CC2CC2 269982a_100000745186_100000756562 [0,1,0,2,0,0|1,0,0]=4 54589 B12R2.324 OC[C@H]1CCCN1CC2CC2 34a_100000745186_100000742324 [0,1,0,2,0,0|1,0,0]=4 54590 B12R2.225 CC1CCCCC1NC2CC2 34a_100000211402_100000211595 [0,1,0,2,0,0|1,0,0]=4 54591 B12R2.225 CC1CCCCC1OC2CC2 34a_100000211207_100000211595 [0,1,0,2,0,0|1,0,0]=4 54592 B12R2.225 CC1CCCCN1CC2CC2 2230a_100000211376_100000742324 [0,1,0,2,0,0|1,0,0]=4 54593 B12R2.225 CC1CCCCN1CC2CC2 269982a_100000211376_100000756562 [0,1,0,2,0,0|1,0,0]=4 54594 B12R2.225 CC1CCCCN1CC2CC2 34a_100000211376_100000742324 [0,1,0,2,0,0|1,0,0]=4 54595 B12R2.225 CC1CCNCC1OC2CC2 34a_100000696640_100000211595 [0,1,0,2,0,0|1,0,0]=4 54596 B12R2.225 C[C@H]1COCCN1CC2CC2 2230a_100009815349_100000742324 [0,1,0,2,0,0|1,0,0]=4 54597 B12R2.225 C[C@H]1COCCN1CC2CC2 269982a_100009815349_100000756562 [0,1,0,2,0,0|1,0,0]=4 54598 B12R2.225 C[C@H]1COCCN1CC2CC2 34a_100009815349_100000742324 [0,1,0,2,0,0|1,0,0]=4 54599 B12R2.225 N[C@@H]1CCOC[C@@H]1OC2CC2 34a_100016994285_100000211595 [0,1,0,2,0,0|1,0,0]=4 54600 B12R2.1154 CN1[C@@H]2COC[C@H]1C[C@H](C2)O 2230a_100103153818_200000210301 [0,1,0,2,0,0|1,0,0]=4 54601 B12R2.1154 CN1[C@@H]2COC[C@H]1C[C@H](C2)O 269982a_100103153818_200000210301 [0,1,0,2,0,0|1,0,0]=4 54602 B12R2.1154 [13CH3]N1[C@@H]2COC[C@H]1C[C@H](C2)O 2230a_100103153818_200025704644 [0,1,0,2,0,0|1,0,0]=4 54603 B12R2.1154 [13CH3]N1[C@@H]2COC[C@H]1C[C@H](C2)O 269982a_100103153818_200025704644 [0,1,0,2,0,0|1,0,0]=4 54604 B12R2.1381 CC(C)CCN1CC2CC2C1 2230a_100000741873_100000210312 [0,1,0,2,0,0|1,0,0]=4 54605 B12R2.1381 CC(C)CCN1CC2CC2C1 269982a_100000741873_100000210312 [0,1,0,2,0,0|1,0,0]=4 54606 B12R2.1381 CC(C)CCN1CC2CC2C1 34a_100000741873_100000210312 [0,1,0,2,0,0|1,0,0]=4 54607 B12R2.1381 CC(O)CCN1CC2CC2C1 2230a_100000741873_100012276601 [0,1,0,2,0,0|1,0,0]=4 54608 B12R2.1381 CC(O)CCN1CC2CC2C1 269982a_100000741873_100012276601 [0,1,0,2,0,0|1,0,0]=4 54609 B12R2.1381 CC(O)CCN1CC2CC2C1 34a_100000741873_100012276601 [0,1,0,2,0,0|1,0,0]=4 54610 B12R2.2057 C1=CC(CCC1)OCC2CC2 34a_100011215024_100000742324 [0,1,0,2,0,0|0,0,1]=4 54611 B12R2.2057 C1=CCC(CC1)OCC2CC2 34a_100000073881_100000742324 [0,1,0,2,0,0|0,0,1]=4 54612 B12R2.2057 C1CC(CCN1)NCC2CC2 270004a_100000735609_100015192401 [0,1,0,2,0,0|1,0,0]=4 54613 B12R2.2057 C1CC(CCO1)NCC2CC2 2230a_100000741149_100000742324 [0,1,0,2,0,0|1,0,0]=4 54614 B12R2.2057 C1CC(CCO1)NCC2CC2 269862a_100000741149_100000741477 [0,1,0,2,0,0|1,0,0]=4 54615 B12R2.2057 C1CC(CCO1)NCC2CC2 270004a_100000735609_100011217826 [0,1,0,2,0,0|1,0,0]=4 54616 B12R2.2057 C1CC(CCO1)NCC2CC2 34a_100000741149_100000742324 [0,1,0,2,0,0|1,0,0]=4 54617 B12R2.2057 C1CC(CCO1)OCC2CC2 34a_100000744328_100000742324 [0,1,0,2,0,0|0,0,0]=3 54618 B12R2.2057 C1CC(CCO1)OCC2CO2 34a_100000744328_102125554688 [0,1,0,2,0,0|1,0,0]=4 54619 B12R2.2057 C1CC(CCO1)SCC2CC2 62a_100000756562_100011324220 [0,1,0,2,0,0|0,1,0]=4 54620 B12R2.2057 C1CC(CCS1)NCC2CC2 2230a_100000748639_100000742324 [0,1,0,2,0,0|1,0,0]=4 54621 B12R2.2057 C1CC(CCS1)NCC2CC2 269862a_100000748639_100000741477 [0,1,0,2,0,0|1,0,0]=4 54622 B12R2.2057 C1CC(CCS1)NCC2CC2 270004a_100000735609_100000203788 [0,1,0,2,0,0|1,0,0]=4 54623 B12R2.2057 C1CC(CCS1)NCC2CC2 34a_100000735609_100000069128 [0,1,0,2,0,0|1,0,0]=4 54624 B12R2.2057 C1CC(CCS1)NCC2CC2 34a_100000748639_100000742324 [0,1,0,2,0,0|1,0,0]=4 54625 B12R2.2057 C1CC(CCS1)OCC2CC2 34a_100000211283_100000069128 [0,1,0,2,0,0|0,0,0]=3 54626 B12R2.2057 C1CC(CCS1)OCC2CC2 34a_100000731022_100000742324 [0,1,0,2,0,0|0,0,0]=3 54627 B12R2.2057 C1CC(CCS1)OCC2CC2 7a_100000731022_100000742324 [0,1,0,2,0,0|0,0,0]=3 54628 B12R2.2057 C1CC(CCS1)OCC2CO2 34a_100000731022_102125554688 [0,1,0,2,0,0|1,0,0]=4 54629 B12R2.2057 C1CC(CCS1)OCC2CO2 7a_100000731022_102125554688 [0,1,0,2,0,0|1,0,0]=4 54630 B12R2.2057 C1CC(CCS1)OCC2CS2 7a_100000731022_100000031435 [0,1,0,2,0,0|1,0,0]=4 54631 B12R2.2057 C1CC(CCS1)OC[C@@H]2CO2 34a_100000757423_100000069128 [0,1,0,2,0,0|1,0,0]=4 54632 B12R2.2057 C1CC(CCS1)OC[C@@H]2CO2 7a_100000731022_100000745022 [0,1,0,2,0,0|1,0,0]=4 54633 B12R2.2057 C1CC(CCS1)SCC2CC2 62a_100000756562_100000069128 [0,1,0,2,0,0|0,1,0]=4 54634 B12R2.2057 C1CCC(CC1)CNC2CC2 34a_100000210473_100000211595 [0,1,0,2,0,0|1,0,0]=4 54635 B12R2.2057 C1CCC(CC1)CNC2CC2 34a_100000212008_100000211423 [0,1,0,2,0,0|1,0,0]=4 54636 B12R2.2057 C1CCC(CC1)COC2CC2 34a_100000212181_100000211595 [0,1,0,2,0,0|1,0,0]=4 54637 B12R2.2057 C1CCC(CC1)CSC2CC2 62a_100000211423_100000211595 [0,1,0,2,0,0|1,0,0]=4 54638 B12R2.2057 C1CCC(CC1)NCC2CC2 2230a_100000182618_100000742324 [0,1,0,2,0,0|1,0,0]=4 54639 B12R2.2057 C1CCC(CC1)NCC2CC2 269862a_100000182618_100000741477 [0,1,0,2,0,0|1,0,0]=4 54640 B12R2.2057 C1CCC(CC1)NCC2CC2 270004a_100000735609_100000210434 [0,1,0,2,0,0|1,0,0]=4 54641 B12R2.2057 C1CCC(CC1)NCC2CC2 34a_100000182618_100000742324 [0,1,0,2,0,0|1,0,0]=4 54642 B12R2.2057 C1CCC(CC1)NCC2CC2 34a_100000735609_100000210327 [0,1,0,2,0,0|1,0,0]=4 54643 B12R2.2057 C1CCC(CC1)OCC2CC2 34a_100000210231_100000742324 [0,1,0,2,0,0|0,0,0]=3 54644 B12R2.2057 C1CCC(CC1)OCC2CC2 34a_100000211283_100000210327 [0,1,0,2,0,0|0,0,0]=3 54645 B12R2.2057 C1CCC(CC1)OCC2CC2 7a_100000210231_100000742324 [0,1,0,2,0,0|0,0,0]=3 54646 B12R2.2057 C1CCC(CC1)OCC2CO2 34a_100000210231_102125554688 [0,1,0,2,0,0|1,0,0]=4 54647 B12R2.2057 C1CCC(CC1)OCC2CO2 7a_100000210231_102125554688 [0,1,0,2,0,0|1,0,0]=4 54648 B12R2.2057 C1CCC(CC1)OCC2CS2 7a_100000210231_100000031435 [0,1,0,2,0,0|1,0,0]=4 54649 B12R2.2057 C1CCC(CC1)OC[C@@H]2CO2 34a_100000757423_100000210327 [0,1,0,2,0,0|1,0,0]=4 54650 B12R2.2057 C1CCC(CC1)OC[C@@H]2CO2 7a_100000210231_100000745022 [0,1,0,2,0,0|1,0,0]=4 54651 B12R2.2057 C1CCC(CC1)SCC2CC2 62a_100000210327_100000742324 [0,1,0,2,0,0|0,1,0]=4 54652 B12R2.2057 C1CCC(CC1)SCC2CC2 62a_100000756562_100000210327 [0,1,0,2,0,0|0,1,0]=4 54653 B12R2.2057 C1CCC(NC1)COC2CC2 34a_100000210821_100000211595 [0,1,0,2,0,0|1,0,0]=4 54654 B12R2.2057 C1CCC(OC1)CNC2CC2 34a_100000174945_100000211595 [0,1,0,2,0,0|0,0,0]=3 54655 B12R2.2057 C1CCC(OC1)CNC2CC2 34a_100000212008_100000211543 [0,1,0,2,0,0|0,0,0]=3 54656 B12R2.2057 C1CCC(OC1)COC2CC2 34a_100000211370_100000211595 [0,1,0,2,0,0|0,0,0]=3 54657 B12R2.2057 C1CCC(OC1)CSC2CC2 62a_100000211543_100000211595 [0,1,0,2,0,0|0,0,0]=3 54658 B12R2.2057 C1CCC(OC1)OCC2CC2 34a_100000033831_100000742324 [0,1,0,2,0,0|0,0,0]=3 54659 B12R2.2057 C1CCC(OC1)OCC2CO2 34a_100000033831_102125554688 [0,1,0,2,0,0|1,0,0]=4 54660 B12R2.2057 C1CN(CCO1)CCC2CC2 2230a_100015191051_100000694398 [0,1,0,2,0,0|1,0,0]=4 54661 B12R2.2057 C1CN(CCO1)CCC2CC2 269982a_100015191051_100000694398 [0,1,0,2,0,0|1,0,0]=4 54662 B12R2.2057 C1CN(CCO1)CCC2CC2 34a_100015191051_100000694398 [0,1,0,2,0,0|1,0,0]=4 54663 B12R2.2057 C1CN(CCS1)CCC2CC2 2230a_100000737611_100000694398 [0,1,0,2,0,0|1,0,0]=4 54664 B12R2.2057 C1CN(CCS1)CCC2CC2 269982a_100000737611_100000694398 [0,1,0,2,0,0|1,0,0]=4 54665 B12R2.2057 C1COCC(C1)NCC2CC2 2230a_100000719290_100000742324 [0,1,0,2,0,0|1,0,0]=4 54666 B12R2.2057 C1COCC(C1)NCC2CC2 269862a_100000719290_100000741477 [0,1,0,2,0,0|1,0,0]=4 54667 B12R2.2057 C1COCC(C1)NCC2CC2 270004a_100000735609_100000753404 [0,1,0,2,0,0|1,0,0]=4 54668 B12R2.2057 C1COCC(C1)NCC2CC2 34a_100000719290_100000742324 [0,1,0,2,0,0|1,0,0]=4 54669 B12R2.2057 C1COCC(C1)NCC2CC2 34a_100000735609_100000693364 [0,1,0,2,0,0|1,0,0]=4 54670 B12R2.2057 C1COCC(C1)OCC2CC2 34a_100000211283_100000693364 [0,1,0,2,0,0|0,0,0]=3 54671 B12R2.2057 C1COCC(C1)OCC2CC2 34a_100000754041_100000742324 [0,1,0,2,0,0|0,0,0]=3 54672 B12R2.2057 C1COCC(C1)OCC2CO2 34a_100000754041_102125554688 [0,1,0,2,0,0|1,0,0]=4 54673 B12R2.2057 C1COCC(C1)OC[C@@H]2CO2 34a_100000757423_100000693364 [0,1,0,2,0,0|1,0,0]=4 54674 B12R2.2057 C1COCC(C1)SCC2CC2 62a_100000756562_100000693364 [0,1,0,2,0,0|0,1,0]=4 54675 B12R2.2057 C1COCN(C1)CCC2CC2 2230a_100000131196_100000694398 [0,1,0,2,0,0|1,0,0]=4 54676 B12R2.2057 C1COCN(C1)CCC2CC2 269982a_100000131196_100000694398 [0,1,0,2,0,0|1,0,0]=4 54677 B12R2.2057 C1COCN(C1)CCC2CC2 34a_100000131196_100000694398 [0,1,0,2,0,0|1,0,0]=4 54678 B12R2.2057 C1CO[C@@H](CN1)COC2CC2 34a_100015189573_100000211595 [0,1,0,2,0,0|1,0,0]=4 54679 B12R2.2057 C1CO[C@H](CO1)CNC2CC2 34a_100010981119_100000211595 [0,1,0,2,0,0|1,0,0]=4 54680 B12R2.2057 C1CO[C@H](CO1)COC2CC2 34a_100009875890_100000211595 [0,1,0,2,0,0|1,0,0]=4 54681 B12R2.2057 C1CSCC(C1)NCC2CC2 270004a_100000735609_100000057913 [0,1,0,2,0,0|1,0,0]=4 54682 B12R2.2057 C1CSCC(C1)OCC2CC2 7a_100015962668_100000742324 [0,1,0,2,0,0|0,0,0]=3 54683 B12R2.2057 C1CSCC(C1)OCC2CO2 7a_100015962668_102125554688 [0,1,0,2,0,0|1,0,0]=4 54684 B12R2.2057 C1CSCC(C1)OCC2CS2 7a_100015962668_100000031435 [0,1,0,2,0,0|1,0,0]=4 54685 B12R2.2057 C1CSCC(C1)OC[C@@H]2CO2 7a_100015962668_100000745022 [0,1,0,2,0,0|1,0,0]=4 54686 B12R2.158 COCC1CCN1CC2CC2 2230a_100015195929_100000742324 [0,1,0,2,0,0|1,0,0]=4 54687 B12R2.158 COCC1CCN1CC2CC2 269982a_100015195929_100000756562 [0,1,0,2,0,0|1,0,0]=4 54688 B12R2.158 COCC1CCN1CC2CC2 34a_100015195929_100000742324 [0,1,0,2,0,0|1,0,0]=4 54689 B12R2.297 CCCCN1CCCC12CC2 2230a_100020620911_100000210211 [0,1,0,2,0,0|1,0,0]=4 54690 B12R2.297 CCCCN1CCCC12CC2 269982a_100020620911_100000210211 [0,1,0,2,0,0|1,0,0]=4 54691 B12R2.297 CCCCN1CCCC12CC2 34a_100020620911_100000210210 [0,1,0,2,0,0|1,0,0]=4 54692 B12R2.297 CCCNC1CCCC12CC2 269862a_100020643023_100009881796 [0,1,0,2,0,0|1,0,0]=4 54693 B12R2.1298 CC1CCN1CCCC2CO2 269982a_100000755817_100000733510 [0,1,0,2,0,0|1,0,0]=4 54694 B12R2.1298 CC1CCN1CCCC2CO2 34a_100000755817_100000733510 [0,1,0,2,0,0|1,0,0]=4 54695 B12R2.1298 O=C1CCC1OCCC2CC2 34a_100000754188_100009892977 [0,1,0,2,0,0|0,0,1]=4 54696 B12R2.1298 O=C1CCC1OCCC2CC2 7a_100000754188_100009892977 [0,1,0,2,0,0|0,0,1]=4 54697 B12R2.2014 C(#CC1CC1)COCC2CC2 34a_100000083941_100000742324 [0,1,0,2,0,0|0,0,1]=4 54698 B12R2.2014 C(#CC1CC1)COCC2CC2 34a_100000211283_100009895102 [0,1,0,2,0,0|0,0,1]=4 54699 B12R2.2014 C(#CC1CC1)COCC2CC2 7a_100000083941_100000742324 [0,1,0,2,0,0|0,0,1]=4 54700 B12R2.2014 C(CC1CC1)NCCC2CC2 34a_100000764129_100000694398 [0,1,0,2,0,0|1,0,0]=4 54701 B12R2.2014 C(CC1CC1)NCCC2CO2 34a_100000764129_100000732470 [0,1,0,2,0,0|1,0,0]=4 54702 B12R2.2014 C(CC1CC1)OCCC2CC2 34a_100000754188_100000694398 [0,1,0,2,0,0|0,0,0]=3 54703 B12R2.2014 C(CC1CC1)OCCC2CC2 7a_100000754188_100000764125 [0,1,0,2,0,0|0,0,0]=3 54704 B12R2.2014 C(CC1CC1)OCCC2CO2 34a_100000754188_100000732470 [0,1,0,2,0,0|0,0,0]=3 54705 B12R2.2014 C(CC1CC1)OCCC2CO2 7a_100000754188_100000732470 [0,1,0,2,0,0|0,0,0]=3 54706 B12R2.2014 C(CC1CC1)OCC[C@@H]2CO2 34a_100009820653_100000694398 [0,1,0,2,0,0|0,0,0]=3 54707 B12R2.2014 C(CC1CC1)SCCC2CC2 62a_100000764125_100000764125 [0,1,0,2,0,0|0,1,0]=4 54708 B12R2.2014 C(CC1CC1)SCCC2CO2 62a_100000732470_100000764125 [0,1,0,2,0,0|0,1,0]=4 54709 B12R2.2014 C(CC1CC1)SCCC2CO2 62a_100000764125_100000732470 [0,1,0,2,0,0|0,1,0]=4 54710 B12R2.2014 C(CC1CO1)OCC[C@@H]2CO2 34a_100009820653_100000732470 [0,1,0,2,0,0|1,0,0]=4 54711 B12R2.2014 C(CNCC1CC1)CC2CO2 2230a_100000735609_100000733510 [0,1,0,2,0,0|1,0,0]=4 54712 B12R2.2014 C(CNCC1CC1)CC2CO2 34a_100000735609_100000733510 [0,1,0,2,0,0|1,0,0]=4 54713 B12R2.2014 C(COCC1CC1)CC2CO2 34a_100000211283_100000733510 [0,1,0,2,0,0|0,0,0]=3 54714 B12R2.2014 C(COCC1CC1)NC2CC2 34a_100000738766_100000742324 [0,1,0,2,0,0|0,0,0]=3 54715 B12R2.2014 C(COCC1CO1)NC2CC2 34a_100000738766_102125554688 [0,1,0,2,0,0|1,0,0]=4 54716 B12R2.2014 C(COC[C@@H]1CO1)CC2CO2 34a_100000757423_100000733510 [0,1,0,2,0,0|1,0,0]=4 54717 B12R2.2014 C(CSCC1CC1)CC2CO2 62a_100000733510_100000742324 [0,1,0,2,0,0|0,1,0]=4 54718 B12R2.2014 C(CSCC1CC1)CC2CO2 62a_100000756562_100000733510 [0,1,0,2,0,0|0,1,0]=4 54719 B12R2.2274 CCCN1CCCC1C2CC2 2230a_200000757794_100000210303 [0,1,0,2,0,0|1,0,0]=4 54720 B12R2.2274 CCCN1CCCC1C2CC2 269982a_200000757794_100000210303 [0,1,0,2,0,0|1,0,0]=4 54721 B12R2.2274 CCCN1CCCC1C2CC2 34a_200000757794_100000210303 [0,1,0,2,0,0|1,0,0]=4 54722 B12R2.2381 C(#CC1CC1)COC2CCC2 34a_100000083941_100000749161 [0,1,0,2,0,0|0,0,1]=4 54723 B12R2.2381 C(#CC1CC1)COC2CCC2 34a_100000748187_100009895102 [0,1,0,2,0,0|0,0,1]=4 54724 B12R2.2381 C(CC1CC1)NCC2CCO2 34a_100000764129_100000103362 [0,1,0,2,0,0|1,0,0]=4 54725 B12R2.2381 C(CC1CC1)NCC2COC2 2230a_100015281925_100000694398 [0,1,0,2,0,0|1,0,0]=4 54726 B12R2.2381 C(CC1CC1)NCC2COC2 34a_100000764129_100010264016 [0,1,0,2,0,0|1,0,0]=4 54727 B12R2.2381 C(CC1CC1)NCC2COC2 34a_100015281925_100000694398 [0,1,0,2,0,0|1,0,0]=4 54728 B12R2.2381 C(CC1CC1)NC[C@@H]2CCO2 2230a_100020831831_100000694398 [0,1,0,2,0,0|1,0,0]=4 54729 B12R2.2381 C(CC1CC1)NC[C@@H]2CCO2 34a_100020831831_100000694398 [0,1,0,2,0,0|1,0,0]=4 54730 B12R2.2381 C(CC1CC1)OCC2CCO2 34a_100000039022_100000694398 [0,1,0,2,0,0|0,0,0]=3 54731 B12R2.2381 C(CC1CC1)OCC2CCO2 34a_100000754188_100000103362 [0,1,0,2,0,0|0,0,0]=3 54732 B12R2.2381 C(CC1CC1)OCC2CCO2 7a_100000754188_100000103362 [0,1,0,2,0,0|0,0,0]=3 54733 B12R2.2381 C(CC1CC1)OCC2CNC2 34a_100016987283_100000694398 [0,1,0,2,0,0|0,0,0]=3 54734 B12R2.2381 C(CC1CC1)OCC2COC2 34a_100000060846_100000694398 [0,1,0,2,0,0|0,0,0]=3 54735 B12R2.2381 C(CC1CC1)OCC2COC2 34a_100000754188_100010264016 [0,1,0,2,0,0|0,0,0]=3 54736 B12R2.2381 C(CC1CC1)OCC2COC2 7a_100000754188_100010264016 [0,1,0,2,0,0|0,0,0]=3 54737 B12R2.2381 C(CC1CC1)SCC2COC2 62a_100000764125_100010264016 [0,1,0,2,0,0|0,1,0]=4 54738 B12R2.2381 C(CC1CC1)SCC2COC2 62a_100010264016_100000764125 [0,1,0,2,0,0|0,1,0]=4 54739 B12R2.2381 C(CC1CO1)OCC2CCO2 34a_100000039022_100000732470 [0,1,0,2,0,0|1,0,0]=4 54740 B12R2.2381 C(CC1CO1)OCC2CNC2 34a_100016987283_100000732470 [0,1,0,2,0,0|1,0,0]=4 54741 B12R2.2381 C(CC1CO1)OCC2COC2 34a_100000060846_100000732470 [0,1,0,2,0,0|1,0,0]=4 54742 B12R2.2381 C(CC1COC1)OCC2CC2 34a_100009855314_100000742324 [0,1,0,2,0,0|0,0,0]=3 54743 B12R2.2381 C(CC1COC1)OCC2CO2 34a_100009855314_102125554688 [0,1,0,2,0,0|1,0,0]=4 54744 B12R2.2381 C(COC1COC1)NC2CC2 34a_100000738766_100009818527 [0,1,0,2,0,0|1,0,0]=4 54745 B12R2.2381 C(COC1CSC1)CC2CO2 7a_100000072292_100000733510 [0,1,0,2,0,0|1,0,0]=4 54746 B12R2.2381 C(CSC1CCC1)CC2CO2 62a_100000733510_100000749161 [0,1,0,2,0,0|0,1,0]=4 54747 B12R2.2381 C(C[C@@H]1CO1)OCC2CCO2 34a_100009820653_100000103362 [0,1,0,2,0,0|1,0,0]=4 54748 B12R2.2381 C(C[C@@H]1CO1)OCC2COC2 34a_100009820653_100010264016 [0,1,0,2,0,0|1,0,0]=4 54749 B12R2.2381 C1CC(C1)CNCCC2CC2 2230a_100000738700_100000694398 [0,1,0,2,0,0|1,0,0]=4 54750 B12R2.2381 C1CC(C1)CNCCC2CC2 269862a_100000764129_100000753134 [0,1,0,2,0,0|1,0,0]=4 54751 B12R2.2381 C1CC(C1)CNCCC2CC2 34a_100000738700_100000694398 [0,1,0,2,0,0|1,0,0]=4 54752 B12R2.2381 C1CC(C1)CNCCC2CC2 34a_100000764129_100000763275 [0,1,0,2,0,0|1,0,0]=4 54753 B12R2.2381 C1CC(C1)CNCCC2CO2 2230a_100000738700_100000732470 [0,1,0,2,0,0|1,0,0]=4 54754 B12R2.2381 C1CC(C1)CNCCC2CO2 34a_100000738700_100000732470 [0,1,0,2,0,0|1,0,0]=4 54755 B12R2.2381 C1CC(C1)COCCC2CC2 34a_100000754188_100000763275 [0,1,0,2,0,0|0,0,0]=3 54756 B12R2.2381 C1CC(C1)COCCC2CC2 34a_100000760304_100000694398 [0,1,0,2,0,0|0,0,0]=3 54757 B12R2.2381 C1CC(C1)COCCC2CC2 7a_100000754188_100000763275 [0,1,0,2,0,0|0,0,0]=3 54758 B12R2.2381 C1CC(C1)COCCC2CO2 34a_100000760304_100000732470 [0,1,0,2,0,0|0,0,0]=3 54759 B12R2.2381 C1CC(C1)COCC[C@@H]2CO2 34a_100009820653_100000763275 [0,1,0,2,0,0|0,0,0]=3 54760 B12R2.2381 C1CC(C1)CSCCC2CC2 62a_100000763275_100000764125 [0,1,0,2,0,0|0,1,0]=4 54761 B12R2.2381 C1CC(C1)CSCCC2CC2 62a_100000764125_100000763275 [0,1,0,2,0,0|0,1,0]=4 54762 B12R2.2381 C1CC(C1)CSCCC2CO2 62a_100000732470_100000763275 [0,1,0,2,0,0|0,1,0]=4 54763 B12R2.2381 C1CC(C1)CSCCC2CO2 62a_100000763275_100000732470 [0,1,0,2,0,0|0,1,0]=4 54764 B12R2.2381 C1CC(C1)NCCCC2CO2 2230a_100000749019_100000733510 [0,1,0,2,0,0|1,0,0]=4 54765 B12R2.2381 C1CC(C1)NCCCC2CO2 34a_100000749019_100000733510 [0,1,0,2,0,0|1,0,0]=4 54766 B12R2.2381 C1CC(C1)OCCCC2CO2 34a_100000748187_100000733510 [0,1,0,2,0,0|0,0,0]=3 54767 B12R2.2381 C1CC(C1)OCCNC2CC2 34a_100000738766_100000749161 [0,1,0,2,0,0|0,0,0]=3 54768 B12R2.2381 C1CC(O1)CSCCC2CC2 62a_100000103362_100000764125 [0,1,0,2,0,0|0,1,0]=4 54769 B12R2.2381 C1CC(O1)CSCCC2CC2 62a_100000764125_100000103362 [0,1,0,2,0,0|0,1,0]=4 54770 B12R2.3808 C1CCCC(CC1)NC2CC2 34a_100000210984_100000211595 [0,1,0,2,0,0|1,0,0]=4 54771 B12R2.3808 C1CCCC(CC1)NC2CC2 34a_100000212008_100011217769 [0,1,0,2,0,0|1,0,0]=4 54772 B12R2.3808 C1CCCC(CC1)OC2CC2 34a_100000210887_100000211595 [0,1,0,2,0,0|1,0,0]=4 54773 B12R2.3808 C1CCCC(CC1)SC2CC2 62a_100011217769_100000211595 [0,1,0,2,0,0|1,0,0]=4 54774 B12R2.3808 C1CCCN(CC1)CC2CC2 2230a_100000185865_100000742324 [0,1,0,2,0,0|1,0,0]=4 54775 B12R2.3808 C1CCCN(CC1)CC2CC2 269982a_100000185865_100000756562 [0,1,0,2,0,0|1,0,0]=4 54776 B12R2.3808 C1CCCN(CC1)CC2CC2 34a_100000185865_100000742324 [0,1,0,2,0,0|1,0,0]=4 54777 B12R2.3808 C1COCCN(C1)CC2CC2 2230a_100000685342_100000742324 [0,1,0,2,0,0|1,0,0]=4 54778 B12R2.3808 C1COCCN(C1)CC2CC2 269982a_100000685342_100000756562 [0,1,0,2,0,0|1,0,0]=4 54779 B12R2.3808 C1COCCN(C1)CC2CC2 34a_100000685342_100000742324 [0,1,0,2,0,0|1,0,0]=4 54780 B12R2.539 CC1(CC1COC2CCC2)C 34a_100000728257_100000749161 [0,1,0,2,0,0|0,0,0]=3 54781 B12R2.539 CC1(CC1COC2COC2)C 34a_100000728257_100009818527 [0,1,0,2,0,0|1,0,0]=4 54782 B12R2.539 CC1(CC1COC2COC2)C 7a_100000728257_100009818527 [0,1,0,2,0,0|1,0,0]=4 54783 B12R2.539 CC1(OC1COC2CCC2)C 34a_200010283642_100000749161 [0,1,0,2,0,0|1,0,0]=4 54784 B12R2.539 FC1(CC1COC2CCC2)F 34a_100000056500_100000749161 [0,1,0,2,0,0|1,0,0]=4 54785 B12R2.539 FC1(CC1COC2CCC2)F 34a_100000748187_100009817841 [0,1,0,2,0,0|1,0,0]=4 54786 B12R2.2400 CC1(CCCN1C2CCC2)C 269982a_100000761399_100000749161 [0,1,0,2,0,0|1,0,0]=4 54787 B12R2.2400 CC1(CCCN1C2CCC2)C 270004a_100000761399_100000241760 [0,1,0,2,0,0|1,0,0]=4 54788 B12R2.2400 CC1(CCCN1C2CCC2)C 34a_100000761399_100000749161 [0,1,0,2,0,0|1,0,0]=4 54789 B12R2.534 CC1(CCCN1CC2CC2)C 2230a_100000761399_100000742324 [0,1,0,2,0,0|1,0,0]=4 54790 B12R2.534 CC1(CCCN1CC2CC2)C 269982a_100000761399_100000756562 [0,1,0,2,0,0|1,0,0]=4 54791 B12R2.534 CC1(CCCN1CC2CC2)C 34a_100000761399_100000742324 [0,1,0,2,0,0|1,0,0]=4 54792 B12R2.2355 CC1(CC1COCC2CC2)C 34a_100000728257_100000742324 [0,1,0,2,0,0|0,0,0]=3 54793 B12R2.2355 CC1(CC1COCC2CC2)C 7a_100000728257_100000742324 [0,1,0,2,0,0|0,0,0]=3 54794 B12R2.2355 CC1(CC1COCC2CO2)C 34a_100000728257_102125554688 [0,1,0,2,0,0|1,0,0]=4 54795 B12R2.2355 CC1(CC1COCC2CO2)C 7a_100000728257_102125554688 [0,1,0,2,0,0|1,0,0]=4 54796 B12R2.2355 CC1(CC1COCC2CS2)C 7a_100000728257_100000031435 [0,1,0,2,0,0|1,0,0]=4 54797 B12R2.2355 CC1(CC1COC[C@@H]2CO2)C 7a_100000728257_100000745022 [0,1,0,2,0,0|1,0,0]=4 54798 B12R2.2355 CC1(OC1COCC2CC2)C 34a_200010283642_100000742324 [0,1,0,2,0,0|1,0,0]=4 54799 B12R2.2355 CC1(OC1COCC2CC2)C 7a_200010283642_100000742324 [0,1,0,2,0,0|1,0,0]=4 54800 B12R2.2355 FC1(CC1COCC2CC2)F 34a_100000056500_100000742324 [0,1,0,2,0,0|1,0,0]=4 54801 B12R2.2355 FC1(CC1COCC2CC2)F 34a_100000211283_100009817841 [0,1,0,2,0,0|1,0,0]=4 54802 B12R2.2355 FC1(CC1COCC2CC2)F 7a_100000056500_100000742324 [0,1,0,2,0,0|1,0,0]=4 54803 B12R2.32 CCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100000210202 [0,1,0,2,0,0|1,0,0]=4 54804 B12R2.32 CCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000204670 [0,1,0,2,0,0|1,0,0]=4 54805 B12R2.32 CCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100000210202 [0,1,0,2,0,0|1,0,0]=4 54806 B12R2.517 CC1CCCCN1C2CCC2 269982a_100000211376_100000749161 [0,1,0,2,0,0|1,0,0]=4 54807 B12R2.517 CC1CCCCN1C2CCC2 270004a_100000211376_100000241760 [0,1,0,2,0,0|1,0,0]=4 54808 B12R2.517 CC1CCCCN1C2CCC2 34a_100000211376_100000749161 [0,1,0,2,0,0|1,0,0]=4 54809 B12R2.517 C[C@H]1COCCN1C2CCC2 269982a_100009815349_100000749161 [0,1,0,2,0,0|1,0,0]=4 54810 B12R2.517 C[C@H]1COCCN1C2CCC2 270004a_100009815349_100000241760 [0,1,0,2,0,0|1,0,0]=4 54811 B12R2.517 C[C@H]1COCCN1C2CCC2 34a_100009815349_100000749161 [0,1,0,2,0,0|1,0,0]=4 54812 B12R2.264 CCCCN1C2CCC1CC2 2230a_100000735658_100000210211 [0,1,0,2,0,0|1,0,0]=4 54813 B12R2.264 CCCCN1C2CCC1CC2 269982a_100000735658_100000210211 [0,1,0,2,0,0|1,0,0]=4 54814 B12R2.264 CCCCN1C2CCC1CC2 34a_100000735658_100000210210 [0,1,0,2,0,0|1,0,0]=4 54815 B12R2.264 CCCOC1C2CCC1CC2 34a_100000210258_100009813300 [0,1,0,2,0,0|1,0,0]=4 54816 B12R2.264 CCCSC1C2CCC1CC2 62a_100000210303_100009813300 [0,1,0,2,0,0|1,0,0]=4 54817 B12R2.264 CCCSC1C2CCC1CC2 62a_100009813300_100000210303 [0,1,0,2,0,0|1,0,0]=4 54818 B12R2.2140 CCC1CCCN1C2CCC2 269982a_100000754278_100000749161 [0,1,0,2,0,0|1,0,0]=4 54819 B12R2.2140 CCC1CCCN1C2CCC2 270004a_100000754278_100000241760 [0,1,0,2,0,0|1,0,0]=4 54820 B12R2.2140 CCC1CCCN1C2CCC2 34a_100000754278_100000749161 [0,1,0,2,0,0|1,0,0]=4 54821 B12R2.2140 OC[C@H]1CCCN1C2CCC2 269982a_100000745186_100000749161 [0,1,0,2,0,0|1,0,0]=4 54822 B12R2.2140 OC[C@H]1CCCN1C2CCC2 270004a_100000745186_100000241760 [0,1,0,2,0,0|1,0,0]=4 54823 B12R2.2140 OC[C@H]1CCCN1C2CCC2 34a_100000745186_100000749161 [0,1,0,2,0,0|1,0,0]=4 54824 B12R2.23 CC1CCN1C2CCCCC2 269982a_100000755817_100000210327 [0,1,0,2,0,0|1,0,0]=4 54825 B12R2.23 CC1CCN1C2CCCCC2 34a_100000755817_100000210327 [0,1,0,2,0,0|1,0,0]=4 54826 B12R2.23 CC1CCN1C2CCCOC2 269982a_100000755817_100000693364 [0,1,0,2,0,0|1,0,0]=4 54827 B12R2.23 CC1CCN1C2CCCOC2 34a_100000755817_100000693364 [0,1,0,2,0,0|1,0,0]=4 54828 B12R2.23 CC1CCN1C2CCOCC2 269982a_100000755817_100011324220 [0,1,0,2,0,0|1,0,0]=4 54829 B12R2.23 CC1CCN1C2CCSCC2 269982a_100000755817_100000069128 [0,1,0,2,0,0|1,0,0]=4 54830 B12R2.23 CC1CCN1C2CCSCC2 34a_100000755817_100000069128 [0,1,0,2,0,0|1,0,0]=4 54831 B12R2.372 CCN1CCN2CCC1CC2 269982a_100000027273_100000204670 [0,1,0,2,0,0|1,0,0]=4 54832 B12R2.2058 C1=CC(CCC1)OC2CCC2 34a_100011215024_100000749161 [0,1,0,2,0,0|0,0,1]=4 54833 B12R2.2058 C1=CCC(CC1)OC2CCC2 34a_100000073881_100000749161 [0,1,0,2,0,0|0,0,1]=4 54834 B12R2.2058 C1CC(C1)CN2CCCOC2 2230a_100000131196_100000763275 [0,1,0,2,0,0|1,0,0]=4 54835 B12R2.2058 C1CC(C1)CN2CCCOC2 269982a_100000131196_100000763275 [0,1,0,2,0,0|1,0,0]=4 54836 B12R2.2058 C1CC(C1)CN2CCCOC2 34a_100000131196_100000763275 [0,1,0,2,0,0|1,0,0]=4 54837 B12R2.2058 C1CC(C1)CN2CCOCC2 2230a_100015191051_100000763275 [0,1,0,2,0,0|1,0,0]=4 54838 B12R2.2058 C1CC(C1)CN2CCOCC2 269982a_100015191051_100000763275 [0,1,0,2,0,0|1,0,0]=4 54839 B12R2.2058 C1CC(C1)CN2CCOCC2 34a_100015191051_100000763275 [0,1,0,2,0,0|1,0,0]=4 54840 B12R2.2058 C1CC(C1)CN2CCSCC2 2230a_100000737611_100000763275 [0,1,0,2,0,0|1,0,0]=4 54841 B12R2.2058 C1CC(C1)CN2CCSCC2 269982a_100000737611_100000763275 [0,1,0,2,0,0|1,0,0]=4 54842 B12R2.2058 C1CC(C1)NC2CCCOC2 270004a_100000719290_100000241760 [0,1,0,2,0,0|1,0,0]=4 54843 B12R2.2058 C1CC(C1)NC2CCCOC2 34a_100000719290_100000749161 [0,1,0,2,0,0|1,0,0]=4 54844 B12R2.2058 C1CC(C1)NC2CCCOC2 34a_100000749019_100000693364 [0,1,0,2,0,0|1,0,0]=4 54845 B12R2.2058 C1CC(C1)NC2CCOCC2 270004a_100000741149_100000241760 [0,1,0,2,0,0|1,0,0]=4 54846 B12R2.2058 C1CC(C1)NC2CCOCC2 34a_100000741149_100000749161 [0,1,0,2,0,0|1,0,0]=4 54847 B12R2.2058 C1CC(C1)NC2CCSCC2 270004a_100000748639_100000241760 [0,1,0,2,0,0|1,0,0]=4 54848 B12R2.2058 C1CC(C1)NC2CCSCC2 34a_100000748639_100000749161 [0,1,0,2,0,0|1,0,0]=4 54849 B12R2.2058 C1CC(C1)NC2CCSCC2 34a_100000749019_100000069128 [0,1,0,2,0,0|1,0,0]=4 54850 B12R2.2058 C1CC(C1)OC2CCCOC2 34a_100000748187_100000693364 [0,1,0,2,0,0|0,0,0]=3 54851 B12R2.2058 C1CC(C1)OC2CCCOC2 34a_100000754041_100000749161 [0,1,0,2,0,0|0,0,0]=3 54852 B12R2.2058 C1CC(C1)OC2CCOCC2 34a_100000744328_100000749161 [0,1,0,2,0,0|0,0,0]=3 54853 B12R2.2058 C1CC(C1)OC2CCSCC2 34a_100000731022_100000749161 [0,1,0,2,0,0|0,0,0]=3 54854 B12R2.2058 C1CC(C1)OC2CCSCC2 34a_100000748187_100000069128 [0,1,0,2,0,0|0,0,0]=3 54855 B12R2.2058 C1CC(CCO1)OC2COC2 34a_100000744328_100009818527 [0,1,0,2,0,0|1,0,0]=4 54856 B12R2.2058 C1CC(CCO1)OC2CSC2 7a_100000072292_100000686592 [0,1,0,2,0,0|1,0,0]=4 54857 B12R2.2058 C1CC(CCS1)OC2COC2 34a_100000731022_100009818527 [0,1,0,2,0,0|1,0,0]=4 54858 B12R2.2058 C1CC(CCS1)OC2COC2 7a_100000731022_100009818527 [0,1,0,2,0,0|1,0,0]=4 54859 B12R2.2058 C1CC(CCS1)OC2CSC2 7a_100000072292_100011500858 [0,1,0,2,0,0|1,0,0]=4 54860 B12R2.2058 C1CCC(CC1)CN2CCC2 269982a_100000754969_100000211423 [0,1,0,2,0,0|1,0,0]=4 54861 B12R2.2058 C1CCC(CC1)NC2CCC2 270004a_100000182618_100000241760 [0,1,0,2,0,0|1,0,0]=4 54862 B12R2.2058 C1CCC(CC1)NC2CCC2 34a_100000182618_100000749161 [0,1,0,2,0,0|1,0,0]=4 54863 B12R2.2058 C1CCC(CC1)NC2CCC2 34a_100000749019_100000210327 [0,1,0,2,0,0|1,0,0]=4 54864 B12R2.2058 C1CCC(CC1)OC2CCC2 34a_100000210231_100000749161 [0,1,0,2,0,0|0,0,0]=3 54865 B12R2.2058 C1CCC(CC1)OC2CCC2 34a_100000748187_100000210327 [0,1,0,2,0,0|0,0,0]=3 54866 B12R2.2058 C1CCC(CC1)OC2COC2 34a_100000210231_100009818527 [0,1,0,2,0,0|1,0,0]=4 54867 B12R2.2058 C1CCC(CC1)OC2COC2 7a_100000210231_100009818527 [0,1,0,2,0,0|1,0,0]=4 54868 B12R2.2058 C1CCC(CC1)OC2CSC2 7a_100000072292_100000210327 [0,1,0,2,0,0|1,0,0]=4 54869 B12R2.2058 C1CCC(CC1)SC2CCC2 62a_100000210327_100000749161 [0,1,0,2,0,0|0,1,0]=4 54870 B12R2.2058 C1CCC(OC1)CN2CCC2 269982a_100000754969_100000211543 [0,1,0,2,0,0|0,0,0]=3 54871 B12R2.2058 C1CCC(OC1)OC2CCC2 34a_100000033831_100000749161 [0,1,0,2,0,0|0,0,0]=3 54872 B12R2.2058 C1CCC(OC1)OC2COC2 34a_100000033831_100009818527 [0,1,0,2,0,0|1,0,0]=4 54873 B12R2.2058 C1COCC(C1)OC2COC2 34a_100000754041_100009818527 [0,1,0,2,0,0|1,0,0]=4 54874 B12R2.2058 C1COCC(C1)OC2CSC2 7a_100000072292_100000693364 [0,1,0,2,0,0|1,0,0]=4 54875 B12R2.2058 C1CSCC(C1)OC2COC2 7a_100015962668_100009818527 [0,1,0,2,0,0|1,0,0]=4 54876 B12R2.165 CCCN1C2CCC1COC2 2230a_100015205251_100000210303 [0,1,0,2,0,0|0,0,0]=3 54877 B12R2.165 CCCN1C2CCC1COC2 269982a_100015205251_100000210303 [0,1,0,2,0,0|0,0,0]=3 54878 B12R2.165 CCCN1C2CCC1COC2 34a_100015205251_100000210303 [0,1,0,2,0,0|0,0,0]=3 54879 B12R2.165 COCN1C2CCC1COC2 2230a_100015205251_100000766300 [0,1,0,2,0,0|1,0,0]=4 54880 B12R2.165 COCN1C2CCC1COC2 269982a_100015205251_100000766300 [0,1,0,2,0,0|1,0,0]=4 54881 B12R2.165 CSCN1C2CCC1COC2 2230a_100015205251_100011218213 [0,1,0,2,0,0|1,0,0]=4 54882 B12R2.165 CSCN1C2CCC1COC2 269982a_100015205251_100011218213 [0,1,0,2,0,0|1,0,0]=4 54883 B12R2.165 CSCN1C2CCC1COC2 34a_100015205251_100011218213 [0,1,0,2,0,0|1,0,0]=4 54884 B12R2.165 FCCN1C2CCC1COC2 2230a_100015205251_100011217306 [0,1,0,2,0,0|1,0,0]=4 54885 B12R2.165 FCCN1C2CCC1COC2 269982a_100015205251_100011217306 [0,1,0,2,0,0|1,0,0]=4 54886 B12R2.165 FCCN1C2CCC1COC2 34a_100015205251_100011217306 [0,1,0,2,0,0|1,0,0]=4 54887 B12R2.165 OCCN1C2CCC1COC2 2230a_100015205251_100000211926 [0,1,0,2,0,0|1,0,0]=4 54888 B12R2.165 OCCN1C2CCC1COC2 269982a_100015205251_100000211926 [0,1,0,2,0,0|1,0,0]=4 54889 B12R2.165 OCCN1C2CCC1COC2 34a_100015205251_100000211926 [0,1,0,2,0,0|1,0,0]=4 54890 B12R2.837 COCC1CCN1C2CCC2 269982a_100015195929_100000749161 [0,1,0,2,0,0|1,0,0]=4 54891 B12R2.837 COCC1CCN1C2CCC2 270004a_100015195929_100000241760 [0,1,0,2,0,0|1,0,0]=4 54892 B12R2.837 COCC1CCN1C2CCC2 34a_100015195929_100000749161 [0,1,0,2,0,0|1,0,0]=4 54893 B12R2.1310 O=C1CCC1OCC2CCC2 34a_100000760304_100009892977 [0,1,0,2,0,0|0,0,1]=4 54894 B12R2.1517 CCCCN1CCC12COC2 2230a_100015204706_100000210211 [0,1,0,2,0,0|1,0,0]=4 54895 B12R2.1517 CCCCN1CCC12COC2 269982a_100015204706_100000210211 [0,1,0,2,0,0|1,0,0]=4 54896 B12R2.2382 C(CC1COC1)OC2COC2 34a_100009855314_100009818527 [0,1,0,2,0,0|1,0,0]=4 54897 B12R2.2382 C1CC(C1)CNCC2CCC2 2230a_100000738700_100000763275 [0,1,0,2,0,0|1,0,0]=4 54898 B12R2.2382 C1CC(C1)CNCC2CCC2 269862a_100000738700_100000753134 [0,1,0,2,0,0|1,0,0]=4 54899 B12R2.2382 C1CC(C1)CNCC2CCC2 34a_100000738700_100000763275 [0,1,0,2,0,0|1,0,0]=4 54900 B12R2.2382 C1CC(C1)CNCC2CCO2 2230a_100000738700_100000103362 [0,1,0,2,0,0|1,0,0]=4 54901 B12R2.2382 C1CC(C1)CNCC2CCO2 34a_100000738700_100000103362 [0,1,0,2,0,0|1,0,0]=4 54902 B12R2.2382 C1CC(C1)CNCC2COC2 2230a_100000738700_100010264016 [0,1,0,2,0,0|1,0,0]=4 54903 B12R2.2382 C1CC(C1)CNCC2COC2 2230a_100015281925_100000763275 [0,1,0,2,0,0|1,0,0]=4 54904 B12R2.2382 C1CC(C1)CNCC2COC2 269862a_100015281925_100000753134 [0,1,0,2,0,0|1,0,0]=4 54905 B12R2.2382 C1CC(C1)CNCC2COC2 34a_100000738700_100010264016 [0,1,0,2,0,0|1,0,0]=4 54906 B12R2.2382 C1CC(C1)CNCC2COC2 34a_100015281925_100000763275 [0,1,0,2,0,0|1,0,0]=4 54907 B12R2.2382 C1CC(C1)CNC[C@@H]2CCO2 2230a_100020831831_100000763275 [0,1,0,2,0,0|1,0,0]=4 54908 B12R2.2382 C1CC(C1)CNC[C@@H]2CCO2 269862a_100020831831_100000753134 [0,1,0,2,0,0|1,0,0]=4 54909 B12R2.2382 C1CC(C1)CNC[C@@H]2CCO2 34a_100020831831_100000763275 [0,1,0,2,0,0|1,0,0]=4 54910 B12R2.2382 C1CC(C1)COCC2CCC2 34a_100000760304_100000763275 [0,1,0,2,0,0|0,0,0]=3 54911 B12R2.2382 C1CC(C1)COCC2CCO2 34a_100000039022_100000763275 [0,1,0,2,0,0|0,0,0]=3 54912 B12R2.2382 C1CC(C1)COCC2CCO2 34a_100000760304_100000103362 [0,1,0,2,0,0|0,0,0]=3 54913 B12R2.2382 C1CC(C1)COCC2CNC2 34a_100016987283_100000763275 [0,1,0,2,0,0|0,0,0]=3 54914 B12R2.2382 C1CC(C1)COCC2COC2 34a_100000060846_100000763275 [0,1,0,2,0,0|0,0,0]=3 54915 B12R2.2382 C1CC(C1)COCC2COC2 34a_100000760304_100010264016 [0,1,0,2,0,0|0,0,0]=3 54916 B12R2.2382 C1CC(C1)CSCC2CCC2 62a_100000763275_100000763275 [0,1,0,2,0,0|0,1,0]=4 54917 B12R2.2382 C1CC(C1)CSCC2CCO2 62a_100000103362_100000763275 [0,1,0,2,0,0|0,1,0]=4 54918 B12R2.2382 C1CC(C1)CSCC2CCO2 62a_100000763275_100000103362 [0,1,0,2,0,0|0,1,0]=4 54919 B12R2.2382 C1CC(C1)CSCC2COC2 62a_100000763275_100010264016 [0,1,0,2,0,0|0,1,0]=4 54920 B12R2.2382 C1CC(C1)CSCC2COC2 62a_100010264016_100000763275 [0,1,0,2,0,0|0,1,0]=4 54921 B12R2.2382 C1CC(C1)OCCC2COC2 34a_100009855314_100000749161 [0,1,0,2,0,0|0,0,0]=3 54922 B12R2.2382 C1CC(O1)COCC2CCO2 34a_100000039022_100000103362 [0,1,0,2,0,0|1,0,0]=4 54923 B12R2.2382 C1CC(O1)COCC2CNC2 34a_100016987283_100000103362 [0,1,0,2,0,0|1,0,0]=4 54924 B12R2.2382 C1CC(O1)COCC2COC2 34a_100000039022_100010264016 [0,1,0,2,0,0|1,0,0]=4 54925 B12R2.2382 C1CC(O1)COCC2COC2 34a_100000060846_100000103362 [0,1,0,2,0,0|1,0,0]=4 54926 B12R2.2382 C1NCC1COCC2COC2 34a_100016987283_100010264016 [0,1,0,2,0,0|1,0,0]=4 54927 B12R2.2382 C1OCC1COCC2COC2 34a_100000060846_100010264016 [0,1,0,2,0,0|1,0,0]=4 54928 B12R2.3807 C1CC(C1)N2CCCOCC2 269982a_100000685342_100000749161 [0,1,0,2,0,0|1,0,0]=4 54929 B12R2.3807 C1CC(C1)N2CCCOCC2 270004a_100000685342_100000241760 [0,1,0,2,0,0|1,0,0]=4 54930 B12R2.3807 C1CC(C1)N2CCCOCC2 34a_100000685342_100000749161 [0,1,0,2,0,0|1,0,0]=4 54931 B12R2.3807 C1CCCC(CC1)N2CCC2 269982a_100000754969_100011217769 [0,1,0,2,0,0|1,0,0]=4 54932 B12R2.3807 C1CCCN(CC1)C2CCC2 269982a_100000185865_100000749161 [0,1,0,2,0,0|1,0,0]=4 54933 B12R2.3807 C1CCCN(CC1)C2CCC2 270004a_100000185865_100000241760 [0,1,0,2,0,0|1,0,0]=4 54934 B12R2.3807 C1CCCN(CC1)C2CCC2 34a_100000185865_100000749161 [0,1,0,2,0,0|1,0,0]=4 54935 B12R2.294 CC1CCN(CC1)CC2CC2 2230a_100000188429_100000742324 [0,1,0,2,0,0|1,0,0]=4 54936 B12R2.294 CC1CCN(CC1)CC2CC2 269982a_100000188429_100000756562 [0,1,0,2,0,0|1,0,0]=4 54937 B12R2.294 CC1CCN(CC1)CC2CC2 34a_100000188429_100000742324 [0,1,0,2,0,0|1,0,0]=4 54938 B12R2.294 FC1CCN(CC1)CC2CC2 2230a_100015193889_100000742324 [0,1,0,2,0,0|1,0,0]=4 54939 B12R2.294 FC1CCN(CC1)CC2CC2 269982a_100015193889_100000756562 [0,1,0,2,0,0|1,0,0]=4 54940 B12R2.294 FC1CCN(CC1)CC2CC2 34a_100015193889_100000742324 [0,1,0,2,0,0|1,0,0]=4 54941 B12R2.294 OC1CCN(CC1)CC2CC2 2230a_100025773856_100000742324 [0,1,0,2,0,0|1,0,0]=4 54942 B12R2.294 OC1CCN(CC1)CC2CC2 269982a_100025773856_100000756562 [0,1,0,2,0,0|1,0,0]=4 54943 B12R2.2302 CC1CCN(CC1)C2CCC2 269982a_100000188429_100000749161 [0,1,0,2,0,0|1,0,0]=4 54944 B12R2.2302 CC1CCN(CC1)C2CCC2 270004a_100000188429_100000241760 [0,1,0,2,0,0|1,0,0]=4 54945 B12R2.2302 CC1CCN(CC1)C2CCC2 34a_100000188429_100000749161 [0,1,0,2,0,0|1,0,0]=4 54946 B12R2.2302 FC1CCN(CC1)C2CCC2 269982a_100015193889_100000749161 [0,1,0,2,0,0|1,0,0]=4 54947 B12R2.2302 FC1CCN(CC1)C2CCC2 270004a_100015193889_100000241760 [0,1,0,2,0,0|1,0,0]=4 54948 B12R2.2302 FC1CCN(CC1)C2CCC2 34a_100015193889_100000749161 [0,1,0,2,0,0|1,0,0]=4 54949 B12R2.2302 OC1CCN(CC1)C2CCC2 269982a_100025773856_100000749161 [0,1,0,2,0,0|1,0,0]=4 54950 B12R2.2302 OC1CCN(CC1)C2CCC2 270004a_100025773856_100000241760 [0,1,0,2,0,0|1,0,0]=4 54951 B12R2.34 CCC1CN(C1)C2CCCC2 2230a_100015205115_100000179811 [0,1,0,2,0,0|1,0,0]=4 54952 B12R2.34 CCC1CN(C1)C2CCCC2 269982a_100015205115_100000179811 [0,1,0,2,0,0|1,0,0]=4 54953 B12R2.34 CCC1CN(C1)C2CCCC2 270004a_100015205115_100000210133 [0,1,0,2,0,0|1,0,0]=4 54954 B12R2.134 C[C@H]1[C@H](CN1C2CCCC2)O 2230a_206633788156_100000179811 [0,1,0,2,0,0|1,0,0]=4 54955 B12R2.134 C[C@H]1[C@H](CN1C2CCCC2)O 269982a_206633788156_100000179811 [0,1,0,2,0,0|1,0,0]=4 54956 B12R2.134 C[C@H]1[C@H](CN1C2CCCC2)O 270004a_206633788156_100000210133 [0,1,0,2,0,0|1,0,0]=4 54957 B12R2.1858 COC1COC2(C1)CCCC2 7a_100011062265_200000210301 [0,1,0,2,0,0|1,0,0]=4 54958 B12R2.1858 [13CH3]OC1COC2(C1)CCCC2 7a_100011062265_200025704644 [0,1,0,2,0,0|1,0,0]=4 54959 B12R2.2399 CC1(CC1)CNC2CCCC2 2230a_100000766693_100000179811 [0,1,0,2,0,0|1,0,0]=4 54960 B12R2.2399 CC1(CC1)CNC2CCCC2 270004a_100000766693_100000210133 [0,1,0,2,0,0|1,0,0]=4 54961 B12R2.2399 CC1(CC1)COC2CCCC2 7a_100000698024_100000179811 [0,1,0,2,0,0|0,0,0]=3 54962 B12R2.2399 CC1(CC1)COC2CCOC2 7a_100000698024_100000731011 [0,1,0,2,0,0|1,0,0]=4 54963 B12R2.2399 CC1(CO1)COC2CCCC2 34a_100000210269_100000760498 [0,1,0,2,0,0|1,0,0]=4 54964 B12R2.2399 FC1(CC1)COC2CCCC2 34a_200000703853_100000179811 [0,1,0,2,0,0|0,0,0]=3 54965 B12R2.2399 FC1(CC1)COC2CCCC2 7a_200000703853_100000179811 [0,1,0,2,0,0|0,0,0]=3 54966 B12R2.2399 FC1(CC1)COC2CCOC2 34a_200000703853_100000690089 [0,1,0,2,0,0|1,0,0]=4 54967 B12R2.2399 FC1(CC1)COC2CCOC2 7a_200000703853_100000731011 [0,1,0,2,0,0|1,0,0]=4 54968 B12R2.2399 OC1(CC1)CNC2CCCC2 2230a_100011936951_100000179811 [0,1,0,2,0,0|1,0,0]=4 54969 B12R2.2399 OC1(CC1)CNC2CCCC2 270004a_100011936951_100000210133 [0,1,0,2,0,0|1,0,0]=4 54970 B12R2.1619 CCC(C)CN1CC2CC2C1 2230a_100000741873_100000748023 [0,1,0,2,0,0|1,0,0]=4 54971 B12R2.1619 CCC(C)CN1CC2CC2C1 269982a_100000741873_100000748023 [0,1,0,2,0,0|1,0,0]=4 54972 B12R2.1619 CCC(C)CN1CC2CC2C1 270004a_100000741873_100000243153 [0,1,0,2,0,0|1,0,0]=4 54973 B12R2.1619 CCC(C)CN1CC2CC2C1 34a_100000741873_100000748023 [0,1,0,2,0,0|1,0,0]=4 54974 B12R2.1619 CCC(O)CN1CC2CC2C1 2230a_100000741873_100011218378 [0,1,0,2,0,0|1,0,0]=4 54975 B12R2.1619 CCC(O)CN1CC2CC2C1 269982a_100000741873_100011218378 [0,1,0,2,0,0|1,0,0]=4 54976 B12R2.1619 CCC(O)CN1CC2CC2C1 34a_100000741873_100011218378 [0,1,0,2,0,0|1,0,0]=4 54977 B12R2.1619 CC[C@H](C)CN1CC2CC2C1 2230a_100000741873_100009816398 [0,1,0,2,0,0|1,0,0]=4 54978 B12R2.1619 CC[C@H](C)CN1CC2CC2C1 269982a_100000741873_100009816398 [0,1,0,2,0,0|1,0,0]=4 54979 B12R2.1619 CC[C@H](C)CN1CC2CC2C1 34a_100000741873_100009816398 [0,1,0,2,0,0|1,0,0]=4 54980 B12R2.1772 CCN1CC2(C1)CCCCO2 2230a_100015188888_100000210202 [0,1,0,2,0,0|1,0,0]=4 54981 B12R2.1772 CCN1CC2(C1)CCCCO2 269982a_100015188888_100000204670 [0,1,0,2,0,0|1,0,0]=4 54982 B12R2.5146 CCCCN1CCC2(C1)CC2 2230a_100000697357_100000210211 [0,1,0,2,0,0|1,0,0]=4 54983 B12R2.5146 CCCCN1CCC2(C1)CC2 269982a_100000697357_100000210211 [0,1,0,2,0,0|1,0,0]=4 54984 B12R2.5146 CCCCN1CCC2(C1)CC2 34a_100000697357_100000210210 [0,1,0,2,0,0|1,0,0]=4 54985 B12R2.224 CC1CC1COCC2(CO2)C 34a_100000744939_100000760498 [0,1,0,2,0,0|1,0,0]=4 54986 B12R2.1922 CCC1CN(C1)CC2CCC2 2230a_100015205115_100000763275 [0,1,0,2,0,0|1,0,0]=4 54987 B12R2.1922 CCC1CN(C1)CC2CCC2 269982a_100015205115_100000763275 [0,1,0,2,0,0|1,0,0]=4 54988 B12R2.2513 C[C@H]1[C@H](CN1CC2CCC2)O 2230a_206633788156_100000763275 [0,1,0,2,0,0|1,0,0]=4 54989 B12R2.2513 C[C@H]1[C@H](CN1CC2CCC2)O 269982a_206633788156_100000763275 [0,1,0,2,0,0|1,0,0]=4 54990 B12R2.5222 CC1(CC1)CNCC2CCC2 2230a_100000766693_100000763275 [0,1,0,2,0,0|1,0,0]=4 54991 B12R2.5222 CC1(CC1)CNCC2CCC2 269862a_100000766693_100000753134 [0,1,0,2,0,0|1,0,0]=4 54992 B12R2.5222 CC1(CC1)COCC2CCC2 7a_100000698024_100000763275 [0,1,0,2,0,0|0,0,0]=3 54993 B12R2.5222 CC1(CC1)COCC2CCO2 7a_100000698024_100000103362 [0,1,0,2,0,0|1,0,0]=4 54994 B12R2.5222 CC1(CC1)COCC2COC2 7a_100000698024_100010264016 [0,1,0,2,0,0|1,0,0]=4 54995 B12R2.5222 CC1(CO1)COCC2CCC2 34a_100000760304_100000760498 [0,1,0,2,0,0|1,0,0]=4 54996 B12R2.5222 FC1(CC1)COCC2CCC2 34a_200000703853_100000763275 [0,1,0,2,0,0|0,0,0]=3 54997 B12R2.5222 FC1(CC1)COCC2CCC2 7a_200000703853_100000763275 [0,1,0,2,0,0|0,0,0]=3 54998 B12R2.5222 FC1(CC1)COCC2CCO2 34a_200000703853_100000103362 [0,1,0,2,0,0|1,0,0]=4 54999 B12R2.5222 FC1(CC1)COCC2CCO2 7a_200000703853_100000103362 [0,1,0,2,0,0|1,0,0]=4 55000 B12R2.5222 FC1(CC1)COCC2COC2 34a_200000703853_100010264016 [0,1,0,2,0,0|1,0,0]=4 55001 B12R2.5222 FC1(CC1)COCC2COC2 7a_200000703853_100010264016 [0,1,0,2,0,0|1,0,0]=4 55002 B12R2.5222 OC1(CC1)CNCC2CCC2 2230a_100011936951_100000763275 [0,1,0,2,0,0|1,0,0]=4 55003 B12R2.5222 OC1(CC1)CNCC2CCC2 269862a_100011936951_100000753134 [0,1,0,2,0,0|1,0,0]=4 55004 B12R2.1243 C[C@H]1[C@H](CN1CCC2CC2)O 2230a_206633788156_100000694398 [0,1,0,2,0,0|1,0,0]=4 55005 B12R2.1243 C[C@H]1[C@H](CN1CCC2CC2)O 269982a_206633788156_100000694398 [0,1,0,2,0,0|1,0,0]=4 55006 B12R2.1919 CCC1CN(C1)CCC2CC2 2230a_100015205115_100000694398 [0,1,0,2,0,0|1,0,0]=4 55007 B12R2.1919 CCC1CN(C1)CCC2CC2 269982a_100015205115_100000694398 [0,1,0,2,0,0|1,0,0]=4 55008 B12R2.1919 CCN1CC(C1)OCC2CC2 269982a_100103154696_100000204670 [0,1,0,2,0,0|1,0,0]=4 55009 B12R2.1919 CCN1CC(C1)OCC2CC2 34a_100103154696_100000210202 [0,1,0,2,0,0|1,0,0]=4 55010 B12R2.5218 CC1(CC1)CNCCC2CC2 2230a_100000766693_100000694398 [0,1,0,2,0,0|1,0,0]=4 55011 B12R2.5218 CC1(CC1)COCCC2CC2 7a_100000698024_100000764125 [0,1,0,2,0,0|0,0,0]=3 55012 B12R2.5218 CC1(CC1)COCCC2CO2 7a_100000698024_100000732470 [0,1,0,2,0,0|1,0,0]=4 55013 B12R2.5218 CC1(CO1)COCCC2CC2 34a_100000754188_100000760498 [0,1,0,2,0,0|1,0,0]=4 55014 B12R2.5218 FC1(CC1)COCCC2CC2 34a_200000703853_100000694398 [0,1,0,2,0,0|0,0,0]=3 55015 B12R2.5218 FC1(CC1)COCCC2CC2 7a_200000703853_100000764125 [0,1,0,2,0,0|0,0,0]=3 55016 B12R2.5218 FC1(CC1)COCCC2CO2 34a_200000703853_100000732470 [0,1,0,2,0,0|1,0,0]=4 55017 B12R2.5218 FC1(CC1)COCCC2CO2 7a_200000703853_100000732470 [0,1,0,2,0,0|1,0,0]=4 55018 B12R2.5218 OC1(CC1)CNCCC2CC2 2230a_100011936951_100000694398 [0,1,0,2,0,0|1,0,0]=4 55019 B12R2.4321 CCCCCN1CC2(C1)CC2 2230a_100015196877_100000210326 [0,1,0,2,0,0|1,0,0]=4 55020 B12R2.4321 CCCCCN1CC2(C1)CC2 269982a_100015196877_100000210215 [0,1,0,2,0,0|1,0,0]=4 55021 B12R2.4321 CCCCCN1CC2(C1)CC2 34a_100015196877_100000718602 [0,1,0,2,0,0|1,0,0]=4 55022 B12R2.4321 CCCCNC1CC2(C1)CC2 270004a_100000102301_100000718549 [0,1,0,2,0,0|1,0,0]=4 55023 B12R2.102 CC1CC1C(=O)C2CCCC2 1458a_100000211227_100000179811 [0,1,0,2,0,0|1,0,0]=4 55024 B12R2.2074 CC(CC1CC1)N2CCCC2 270004a_100000188435_200000686933 [0,1,0,2,0,0|1,0,0]=4 55025 B12R2.2074 CN(CC1CC1)C2CCCC2 2230a_100000207505_100000742324 [0,1,0,2,0,0|1,0,0]=4 55026 B12R2.2074 CN(CC1CC1)C2CCCC2 2230a_100000741881_100000179811 [0,1,0,2,0,0|1,0,0]=4 55027 B12R2.2074 CN(CC1CC1)C2CCCC2 269982a_100000207505_100000756562 [0,1,0,2,0,0|1,0,0]=4 55028 B12R2.2074 CN(CC1CC1)C2CCCC2 269982a_100000741881_100000179811 [0,1,0,2,0,0|1,0,0]=4 55029 B12R2.2074 CN(CC1CC1)C2CCCC2 270004a_100000741881_100000210133 [0,1,0,2,0,0|1,0,0]=4 55030 B12R2.2074 CN(CC1CC1)C2CCCC2 34a_100000207505_100000742324 [0,1,0,2,0,0|1,0,0]=4 55031 B12R2.2074 O=C(CC1CC1)C2CCCC2 1458a_100000210718_100000742324 [0,1,0,2,0,0|1,0,0]=4 55032 B12R2.2074 O=C(CC1CC1)C2CCCC2 1458a_100000738066_100000179811 [0,1,0,2,0,0|1,0,0]=4 55033 B12R2.3797 CN(C1CCCC1)C2CCC2 2230a_100000758072_100000179811 [0,1,0,2,0,0|1,0,0]=4 55034 B12R2.3797 CN(C1CCCC1)C2CCC2 269982a_100000207505_100000749161 [0,1,0,2,0,0|1,0,0]=4 55035 B12R2.3797 CN(C1CCCC1)C2CCC2 269982a_100000758072_100000179811 [0,1,0,2,0,0|1,0,0]=4 55036 B12R2.3797 CN(C1CCCC1)C2CCC2 270004a_100000207505_100000241760 [0,1,0,2,0,0|1,0,0]=4 55037 B12R2.3797 CN(C1CCCC1)C2CCC2 270004a_100000758072_100000210133 [0,1,0,2,0,0|1,0,0]=4 55038 B12R2.3797 CN(C1CCCC1)C2CCC2 34a_100000207505_100000749161 [0,1,0,2,0,0|1,0,0]=4 55039 B12R2.3797 CN(C1CCCC1)C2CCC2 34a_100000758072_100000179811 [0,1,0,2,0,0|1,0,0]=4 55040 B12R2.3797 O=C(C1CCCC1)C2CCC2 1458a_100000209988_100000179811 [0,1,0,2,0,0|1,0,0]=4 55041 B12R2.3797 O=C(C1CCCC1)C2CCC2 1458a_100000210718_100000749161 [0,1,0,2,0,0|1,0,0]=4 55042 B12R2.1711 CCC1CC1C(=O)CC2CC2 1458a_200011661523_100000742324 [0,1,0,2,0,0|1,0,0]=4 55043 B12R2.3665 CCC1CC1C(=O)C2CCC2 1458a_200011661523_100000749161 [0,1,0,2,0,0|1,0,0]=4 55044 B12R2.2326 CC1CCC(N1C2CCC2)C 269982a_100000687148_100000749161 [0,1,0,2,0,0|1,0,0]=4 55045 B12R2.2326 CC1CCC(N1C2CCC2)C 34a_100000687148_100000749161 [0,1,0,2,0,0|1,0,0]=4 55046 B12R2.3281 CC(NC1CCC1)C2CCC2 269862a_100000749019_100000760154 [0,1,0,2,0,0|1,0,0]=4 55047 B12R2.3281 CC(NC1CCC1)C2CCC2 270004a_100016994624_100000241760 [0,1,0,2,0,0|1,0,0]=4 55048 B12R2.3281 CC(NC1CCC1)C2CCC2 34a_100016994624_100000749161 [0,1,0,2,0,0|1,0,0]=4 55049 B12R2.3281 CC(OC1CCC1)C2CCC2 34a_100000766398_100000749161 [0,1,0,2,0,0|0,0,0]=3 55050 B12R2.3281 CC(OC1COC1)C2CCC2 34a_100000766398_100009818527 [0,1,0,2,0,0|1,0,0]=4 55051 B12R2.3281 CC(OC1COC1)C2CCC2 7a_100000766398_100009818527 [0,1,0,2,0,0|1,0,0]=4 55052 B12R2.3281 CN(CC1CCC1)C2CCC2 2230a_100000758072_100000763275 [0,1,0,2,0,0|1,0,0]=4 55053 B12R2.3281 CN(CC1CCC1)C2CCC2 269982a_100000758072_100000763275 [0,1,0,2,0,0|1,0,0]=4 55054 B12R2.3281 CN(CC1CCC1)C2CCC2 269982a_200000750244_100000749161 [0,1,0,2,0,0|1,0,0]=4 55055 B12R2.3281 CN(CC1CCC1)C2CCC2 270004a_200000750244_100000241760 [0,1,0,2,0,0|1,0,0]=4 55056 B12R2.3281 CN(CC1CCC1)C2CCC2 34a_100000758072_100000763275 [0,1,0,2,0,0|1,0,0]=4 55057 B12R2.3281 CN(CC1CCC1)C2CCC2 34a_200000750244_100000749161 [0,1,0,2,0,0|1,0,0]=4 55058 B12R2.3281 O=C(CC1CCC1)C2CCC2 1458a_100000209988_100000763275 [0,1,0,2,0,0|1,0,0]=4 55059 B12R2.3281 O=C(CC1CCC1)C2CCC2 1458a_100000763092_100000749161 [0,1,0,2,0,0|1,0,0]=4 55060 B12R2.3283 CN(CC1CCC1)CC2CC2 2230a_100000741881_100000763275 [0,1,0,2,0,0|1,0,0]=4 55061 B12R2.3283 CN(CC1CCC1)CC2CC2 2230a_200000750244_100000742324 [0,1,0,2,0,0|1,0,0]=4 55062 B12R2.3283 CN(CC1CCC1)CC2CC2 269982a_100000741881_100000763275 [0,1,0,2,0,0|1,0,0]=4 55063 B12R2.3283 CN(CC1CCC1)CC2CC2 269982a_200000750244_100000756562 [0,1,0,2,0,0|1,0,0]=4 55064 B12R2.3283 CN(CC1CCC1)CC2CC2 34a_200000750244_100000742324 [0,1,0,2,0,0|1,0,0]=4 55065 B12R2.3283 O=C(CC1CCC1)CC2CC2 1458a_100000738066_100000763275 [0,1,0,2,0,0|1,0,0]=4 55066 B12R2.3283 O=C(CC1CCC1)CC2CC2 1458a_100000763092_100000742324 [0,1,0,2,0,0|1,0,0]=4 55067 B12R2.5430 CC1CC1C(=O)CC2CCC2 1458a_100000211227_100000763275 [0,1,0,2,0,0|1,0,0]=4 55068 B12R2.5621 CC1(CCCC1)OC2CCC2 34a_100000751722_100000749161 [0,1,0,2,0,0|0,0,0]=3 55069 B12R2.5621 CC1(CCCC1)OC2COC2 34a_100000751722_100009818527 [0,1,0,2,0,0|1,0,0]=4 55070 B12R2.5621 CC1(CCCC1)OC2COC2 7a_100000751722_100009818527 [0,1,0,2,0,0|1,0,0]=4 55071 B12R2.1255 CC1CC1C(=O)CCC2CC2 1458a_100000211227_100000694398 [0,1,0,2,0,0|1,0,0]=4 55072 B12R2.2033 CC1CCC(N1CC2CC2)C 2230a_100000687148_100000742324 [0,1,0,2,0,0|1,0,0]=4 55073 B12R2.2033 CC1CCC(N1CC2CC2)C 269982a_100000687148_100000756562 [0,1,0,2,0,0|1,0,0]=4 55074 B12R2.2033 CC1CCC(N1CC2CC2)C 34a_100000687148_100000742324 [0,1,0,2,0,0|1,0,0]=4 55075 B12R2.3280 CC(NCC1CC1)C2CCC2 2230a_100016994624_100000742324 [0,1,0,2,0,0|1,0,0]=4 55076 B12R2.3280 CC(NCC1CC1)C2CCC2 269862a_100016994624_100000741477 [0,1,0,2,0,0|1,0,0]=4 55077 B12R2.3280 CC(NCC1CC1)C2CCC2 34a_100016994624_100000742324 [0,1,0,2,0,0|1,0,0]=4 55078 B12R2.3280 CC(OCC1CC1)C2CCC2 34a_100000766398_100000742324 [0,1,0,2,0,0|0,0,0]=3 55079 B12R2.3280 CC(OCC1CC1)C2CCC2 7a_100000766398_100000742324 [0,1,0,2,0,0|0,0,0]=3 55080 B12R2.3280 CC(OCC1CO1)C2CCC2 34a_100000766398_102125554688 [0,1,0,2,0,0|1,0,0]=4 55081 B12R2.3280 CC(OCC1CO1)C2CCC2 7a_100000766398_102125554688 [0,1,0,2,0,0|1,0,0]=4 55082 B12R2.3280 CC(OCC1CS1)C2CCC2 7a_100000766398_100000031435 [0,1,0,2,0,0|1,0,0]=4 55083 B12R2.3280 CC(OC[C@@H]1CO1)C2CCC2 7a_100000766398_100000745022 [0,1,0,2,0,0|1,0,0]=4 55084 B12R2.3280 CN(CCC1CC1)C2CCC2 2230a_100000758072_100000694398 [0,1,0,2,0,0|1,0,0]=4 55085 B12R2.3280 CN(CCC1CC1)C2CCC2 269982a_100000758072_100000694398 [0,1,0,2,0,0|1,0,0]=4 55086 B12R2.3280 CN(CCC1CC1)C2CCC2 34a_100000758072_100000694398 [0,1,0,2,0,0|1,0,0]=4 55087 B12R2.3280 O=C(CCC1CC1)C2CCC2 1458a_100000209988_100000694398 [0,1,0,2,0,0|1,0,0]=4 55088 B12R2.3280 O=C(CCC1CC1)C2CCC2 1458a_100000756386_100000749161 [0,1,0,2,0,0|1,0,0]=4 55089 B12R2.3288 CC(CC1CC1)NCC2CC2 270004a_100000735609_200000686933 [0,1,0,2,0,0|1,0,0]=4 55090 B12R2.3288 CN(CCC1CC1)CC2CC2 2230a_100000741881_100000694398 [0,1,0,2,0,0|1,0,0]=4 55091 B12R2.3288 CN(CCC1CC1)CC2CC2 269982a_100000741881_100000694398 [0,1,0,2,0,0|1,0,0]=4 55092 B12R2.3288 O=C(CCC1CC1)CC2CC2 1458a_100000738066_100000694398 [0,1,0,2,0,0|1,0,0]=4 55093 B12R2.3288 O=C(CCC1CC1)CC2CC2 1458a_100000756386_100000742324 [0,1,0,2,0,0|1,0,0]=4 55094 B12R2.5581 CC1(CCCC1)OCC2CC2 34a_100000751722_100000742324 [0,1,0,2,0,0|0,0,0]=3 55095 B12R2.5581 CC1(CCCC1)OCC2CC2 7a_100000751722_100000742324 [0,1,0,2,0,0|0,0,0]=3 55096 B12R2.5581 CC1(CCCC1)OCC2CO2 34a_100000751722_102125554688 [0,1,0,2,0,0|1,0,0]=4 55097 B12R2.5581 CC1(CCCC1)OCC2CO2 7a_100000751722_102125554688 [0,1,0,2,0,0|1,0,0]=4 55098 B12R2.5581 CC1(CCCC1)OCC2CS2 7a_100000751722_100000031435 [0,1,0,2,0,0|1,0,0]=4 55099 B12R2.5581 CC1(CCCC1)OC[C@@H]2CO2 7a_100000751722_100000745022 [0,1,0,2,0,0|1,0,0]=4 55100 B12R3.288 C1CC1CN2CC3CC3C2 2230a_100000741873_100000742324 [0,0,0,3,0,0|1,0,0]=4 55101 B12R3.288 C1CC1CN2CC3CC3C2 269982a_100000741873_100000756562 [0,0,0,3,0,0|1,0,0]=4 55102 B12R3.288 C1CC1CN2CC3CC3C2 34a_100000741873_100000742324 [0,0,0,3,0,0|1,0,0]=4 55103 B12R3.1655 C1CC(C1)N2CC3CC3C2 269982a_100000741873_100000749161 [0,0,0,3,0,0|1,0,0]=4 55104 B12R3.1655 C1CC(C1)N2CC3CC3C2 270004a_100000741873_100000241760 [0,0,0,3,0,0|1,0,0]=4 55105 B12R3.1655 C1CC(C1)N2CC3CC3C2 34a_100000741873_100000749161 [0,0,0,3,0,0|1,0,0]=4